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1PXV

The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
C0004866molecular_functionendopeptidase inhibitor activity
C0004869molecular_functioncysteine-type endopeptidase inhibitor activity
C0005737cellular_componentcytoplasm
D0004866molecular_functionendopeptidase inhibitor activity
D0004869molecular_functioncysteine-type endopeptidase inhibitor activity
D0005737cellular_componentcytoplasm
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 459
ChainResidue
AHOH606
BLYS232
BARG234
BHOH576
BHOH590

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 460
ChainResidue
ALYS232
AARG234

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 461
ChainResidue
BASP383
BHOH541
BHOH626
DHIS62
DARG64
BASN381
BARG382

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 462
ChainResidue
AARG382
AASP383
CHIS62
CARG64

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 463
ChainResidue
AHIS213
AHIS214
AHIS215
AHIS217
BHIS213
BHIS215
BHIS217

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GAI B 464
ChainResidue
AGLU291
ALYS294

Functional Information from PROSITE/UniProt
site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LGHALAVVGNA
ChainResidueDetails
ALEU338-ALA348

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:15644332
ChainResidueDetails
AALA243
AHIS340
AASN360
BALA243
BHIS340
BASN360

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by SspA => ECO:0000250
ChainResidueDetails
APHE219
BPHE219

Catalytic Information from CSA
site_idCSA1
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 15518582, 12874290
ChainResidueDetails
AHIS340

site_idMCSA1
Number of Residues4
DetailsM-CSA 805
ChainResidueDetails
AGLN237electrostatic stabiliser
AALA243nucleofuge, nucleophile, proton acceptor, proton donor
AHIS340proton acceptor, proton donor
AASN360electrostatic stabiliser, modifies pKa

site_idMCSA2
Number of Residues4
DetailsM-CSA 805
ChainResidueDetails
BGLN237electrostatic stabiliser
BALA243nucleofuge, nucleophile, proton acceptor, proton donor
BHIS340proton acceptor, proton donor
BASN360electrostatic stabiliser, modifies pKa

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PDB entries from 2024-05-01

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