ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Chymotrypsin/elastase isoinhibitor 1

Intermolecular
Cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 29
Cysteine 210 of Chymotrypsin-like elastase family member 1 and cysteine 14
Cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 14
Cysteine 210 of Chymotrypsin-like elastase family member 1 and cysteine 33 L
Cysteine 56 of Chymotrypsin-like elastase family member 1 and cysteine 33 L
Cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 33 L
Cysteine 210 of Chymotrypsin-like elastase family member 1 and cysteine 29
Cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 17
A redox-regulated disulphide may form between cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 29 of Chymotrypsin/elastase isoinhibitor 1 (220 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 ?
49
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
240
Peptide B residue number
29

Ligandability

Cysteine 240 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 29 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 210 of Chymotrypsin-like elastase family member 1 and cysteine 14 of Chymotrypsin/elastase isoinhibitor 1 (191 and 14 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
210
Peptide B residue number
14

Ligandability

Cysteine 210 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 14 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 14 of Chymotrypsin/elastase isoinhibitor 1 (220 and 14 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
240
Peptide B residue number
14

Ligandability

Cysteine 240 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 14 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 210 of Chymotrypsin-like elastase family member 1 and cysteine 33 of Chymotrypsin/elastase isoinhibitor 1 (191 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 ?
41
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
210
Peptide B residue number
33

Ligandability

Cysteine 210 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 33 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 56 of Chymotrypsin-like elastase family member 1 and cysteine 33 of Chymotrypsin/elastase isoinhibitor 1 (42 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 ?
41
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
56
Peptide B residue number
33

Ligandability

Cysteine 56 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 33 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 33 of Chymotrypsin/elastase isoinhibitor 1 (220 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 ?
39
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
240
Peptide B residue number
33

Ligandability

Cysteine 240 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 33 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 210 of Chymotrypsin-like elastase family member 1 and cysteine 29 of Chymotrypsin/elastase isoinhibitor 1 (191 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 ?
37
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
210
Peptide B residue number
29

Ligandability

Cysteine 210 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 29 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 240 of Chymotrypsin-like elastase family member 1 and cysteine 17 of Chymotrypsin/elastase isoinhibitor 1 (220 and 17 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1eai
Structure name
complex of ascaris chymotrpsin/elastase inhibitor with porcine elastase
Structure deposition date
1999-03-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide A name
Chymotrypsin-like elastase family member 1
Peptide B name
Chymotrypsin/elastase isoinhibitor 1
Peptide A accession
P00772
Peptide B accession
P07851
Peptide A residue number
240
Peptide B residue number
17

Ligandability

Cysteine 240 of Chymotrypsin-like elastase family member 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 17 of Chymotrypsin/elastase isoinhibitor 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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