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1PAD

Binding of chloromethyl ketone substrate analogues to crystalline papain

Replaces:  2PAP
Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues27
DetailsBINDING SITE FOR CHAIN I OF ACETYL-ALA-ALA-PHE-ALA-CHLOROMETHYLKETONE INHIBITOR
ChainResidue
AGLY11
ALYS39
AASN44
ALEU45
AASN46
AGLN47
ATYR48
ATYR61
AGLY65
AGLY66
ATYR67
AALA12
AVAL133
AVAL157
AASP158
AHIS159
AHOH217
AHOH218
AHOH243
IHOH31
ATHR14
AGLN19
AGLY23
ASER24
ACYS25
AGLU35
AGLY36

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGsCGSCWAfSA
ChainResidueDetails
AGLN19-ALA30

site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. VDHAVAAVGYG
ChainResidueDetails
AVAL157-GLY167

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YILiKNSWgtgWGenGYIrI
ChainResidueDetails
ATYR170-ILE189

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10088, ECO:0000269|PubMed:5681232, ECO:0000269|PubMed:6502713, ECO:0000269|PubMed:952885, ECO:0000305|PubMed:1860874, ECO:0007744|PDB:1PAD, ECO:0007744|PDB:9PAP
ChainResidueDetails
ACYS25

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10089, ECO:0000269|PubMed:6502713, ECO:0000269|PubMed:952885, ECO:0007744|PDB:1PAD, ECO:0007744|PDB:9PAP
ChainResidueDetails
AHIS159

site_idSWS_FT_FI3
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10090, ECO:0000269|PubMed:5681232, ECO:0000269|PubMed:6502713, ECO:0000269|PubMed:952885, ECO:0007744|PDB:1PAD, ECO:0007744|PDB:9PAP
ChainResidueDetails
AASN175

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: covalent => ECO:0000269|PubMed:8416808, ECO:0007744|PDB:1POP
ChainResidueDetails
ACYS25

Catalytic Information from CSA
site_idCSA1
Number of Residues3
Details
ChainResidueDetails
AASN175
ACYS25
AHIS159

site_idMCSA1
Number of Residues4
DetailsM-CSA 174
ChainResidueDetails
AGLN19electrostatic stabiliser, hydrogen bond donor
ACYS25electrostatic stabiliser
AHIS159electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
AASN175activator, electrostatic stabiliser, hydrogen bond acceptor

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PDB entries from 2024-07-10

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