Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1RHM

CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR

Functional Information from GO Data
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0004197molecular_functioncysteine-type endopeptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
C0004197molecular_functioncysteine-type endopeptidase activity
C0006508biological_processproteolysis
C0008234molecular_functioncysteine-type peptidase activity
D0004197molecular_functioncysteine-type endopeptidase activity
D0006508biological_processproteolysis
D0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NA4 A 501
ChainResidue
AARG179
BSER339
BTRP340
BARG341
ASER236
AHIS237
AGLY238
AGLN283
ACYS285
AHOH507
AHOH551
BTYR338

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NA4 C 502
ChainResidue
ASER175
CHOH158
CARG679
CHIS737
CGLY738
CGLN783
CCYS785
DTYR838
DSER839
DTRP840
DARG841
DSER881

Functional Information from PROSITE/UniProt
site_idPS01121
Number of Residues15
DetailsCASPASE_HIS Caspase family histidine active site. HskrsSfvCvLLSHG
ChainResidueDetails
AHIS224-GLY238

site_idPS01122
Number of Residues12
DetailsCASPASE_CYS Caspase family cysteine active site. KPKLFIIQACRG
ChainResidueDetails
ALYS276-GLY287

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsMOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631
ChainResidueDetails
BARG341
DARG841
CHIS737
CCYS785

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689
ChainResidueDetails
ACYS285
CCYS785

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1qx3
ChainResidueDetails
ACYS285
AHIS237
AGLY238

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1qx3
ChainResidueDetails
CHIS737
CCYS785
CGLY738

site_idMCSA1
Number of Residues
DetailsM-CSA 815
ChainResidueDetails
ATHR177electrostatic stabiliser
ASER178electrostatic stabiliser
AHIS237electrostatic stabiliser, proton acceptor, proton donor
AGLY238electrostatic stabiliser
ACYS285electrostatic stabiliser

site_idMCSA2
Number of Residues
DetailsM-CSA 815
ChainResidueDetails
CTHR677electrostatic stabiliser
CSER678electrostatic stabiliser
CHIS737electrostatic stabiliser, proton acceptor, proton donor
CGLY738electrostatic stabiliser
CCYS785electrostatic stabiliser

226707

PDB entries from 2024-10-30

PDB statisticsPDBj update infoContact PDBjnumon