Neutrophil defensin 1

Structure name

crystal structure of human alpha-defensin 1 (hnp1) i20a/l25a mutant

Structure deposition date

2013-06-20

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 94 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 68 and 68 (4 and 4 respectively in this structure).

Details

Redox score ?

PDB code

3lo6

Structure name

crystal structure of human alpha-defensin 1 (w26aba mutant)

Structure deposition date

2010-02-03

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 68 and 66 (4 and 2 respectively in this structure).

Details

Redox score ?

PDB code

Structure name

crystal structure of human alpha-defensin 1 (hnp1) i20a/l25a mutant

Structure deposition date

2013-06-20

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 83 and 83 (22 and 22 respectively in this structure).

Details

Redox score ?

PDB code

3hj2

Structure name

crystal structure of covalent dimer of hnp1

Structure deposition date

2009-05-20

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 83 and 68 (19 and 4 respectively in this structure).

Details

Redox score ?

PDB code

3h6c

Structure name

crystal structure of human alpha-defensin 1 (mutant gln22ala)

Structure deposition date

2009-04-23

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 83 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 66 and 66 (2 and 2 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

3lvx

Structure name

crystal structure of human alpha-defensin 1 (i6a mutant)

Structure deposition date

2010-02-22

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 94 and 94 (30 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

crystal structure of human alpha-defensin 1 (hnp1) i20a/l25a mutant

Structure deposition date

2013-06-20

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 94 and 68 (30 and 4 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

crystal structure of human alpha-defensin 1 (hnp1) i20a/l25a mutant

Structure deposition date

2013-06-20

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 94 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 68 and 73 (4 and 9 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

4du0

Structure name

crystal structure of human alpha-defensin 1, hnp1 (g17a mutant)

Structure deposition date

2012-02-21

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 73 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 66 and 83 (2 and 19 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

3lo6

Structure name

crystal structure of human alpha-defensin 1 (w26aba mutant)

Structure deposition date

2010-02-03

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 83 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 73 and 66 (9 and 2 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

crystal structure of human alpha-defensin 1 (hnp1) i20a/l25a mutant

Structure deposition date

2013-06-20

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 73 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form between two units of Neutrophil defensin 1 at cysteines 93 and 66 (29 and 2 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

crystal structure of human alpha-defensin 1 (hnp1) i20a/l25a mutant

Structure deposition date

2013-06-20

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide A name

Neutrophil defensin 1

Peptide B name

Neutrophil defensin 1

Peptide A accession

Peptide B accession

Peptide A residue number

Peptide B residue number

Ligandability

Cysteine 93 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 73 and 93 (9 and 29 respectively in this structure).

Details

Redox score ?

PDB code

3hjd

Structure name

x-ray structure of monomeric variant of hnp1

Structure deposition date

2009-05-21

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 73 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 93 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 68 and 83 (4 and 19 respectively in this structure).

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 83 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 93 and 94 (29 and 30 respectively in this structure).

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 93 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 94 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 66 and 93 (2 and 29 respectively in this structure).

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 93 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 73 and 94 (9 and 30 respectively in this structure).

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 73 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 94 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 66 and 83 (2 and 19 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 83 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 66 and 68 (2 and 4 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 68 and 94 (4 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 94 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 83 and 94 (22 and 33 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

3hj2

Structure name

crystal structure of covalent dimer of hnp1

Structure deposition date

2009-05-20

Thiol separation (Å)

Half-sphere exposure sum ?

nan

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 83 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 94 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 68 and 73 (4 and 9 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 73 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 68 and 93 (4 and 29 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

3gny

Structure name

crystal structure of human alpha-defensin 1 (hnp1)

Structure deposition date

2009-03-18

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 68 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 93 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 83 and 93 (19 and 29 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 83 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 93 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

A redox-regulated disulphide may form within Neutrophil defensin 1 between cysteines 66 and 73 (2 and 9 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

PDB code

Structure name

nmr structure of human alpha defensin hnp-1

Structure deposition date

2009-04-11

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

% buried

Peptide accession

Residue number A

Residue number B

Peptide name

Neutrophil defensin 1

Ligandability

Cysteine 66 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.

Cysteine 73 of Neutrophil defensin 1

Not ligandable in the dataset of Vinogradova et al.