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6BFO

Caspase-3 Mutant- T245D

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
Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue NA A 201
ChainResidue
AGLN161
BSER205
BTRP206
BSER213
BTRP214
BPHE215
BGLN261

site_idAC2
Number of Residues4
Detailsbinding site for residue NA A 202
ChainResidue
AASP70
ALEU119
AARG64
ATHR67

site_idAC3
Number of Residues7
Detailsbinding site for residue NA A 203
ChainResidue
APHE143
AARG144
AGLY145
ACYS148
ALEU151
ATHR152
ALYS156

site_idAC4
Number of Residues3
Detailsbinding site for residue NA A 204
ChainResidue
AILE160
AALA162
BSER198

site_idAC5
Number of Residues5
Detailsbinding site for residue AZI A 205
ChainResidue
AGLY66
ATHR67
AASP68
AVAL69
AHOH473

site_idAC6
Number of Residues4
Detailsbinding site for residue AZI A 206
ChainResidue
ATHR92
AGLU94
AGLU95
AHOH467

site_idAC7
Number of Residues6
Detailsbinding site for residue NA B 301
ChainResidue
AGLY153
ALYS156
BILE187
BALA191
BASP192
BNA305

site_idAC8
Number of Residues6
Detailsbinding site for residue NA B 302
ChainResidue
BALA196
BTYR197
BPHE215
BCYS264
BILE265
BNA306

site_idAC9
Number of Residues5
Detailsbinding site for residue NA B 303
ChainResidue
BVAL243
BALA244
BPHE247
BLYS260
BGLN261

site_idAD1
Number of Residues5
Detailsbinding site for residue NA B 304
ChainResidue
BMET233
BTHR237
BSER267
BLEU269
BHOH435

site_idAD2
Number of Residues5
Detailsbinding site for residue NA B 305
ChainResidue
AGLY145
BPRO188
BVAL189
BALA191
BNA301

site_idAD3
Number of Residues4
Detailsbinding site for residue NA B 306
ChainResidue
BLEU236
BASN240
BILE265
BNA302

site_idAD4
Number of Residues6
Detailsbinding site for residue NA B 307
ChainResidue
ALEU168
AASP169
BTRP206
BLYS259
BLYS260
BHOH436

site_idAD5
Number of Residues26
Detailsbinding site for Ac-Asp-Glu-Val-Asp-CMK chain D
ChainResidue
ASER58
AARG64
AHIS121
AGLY122
AGLN161
ACYS163
AHOH432
AHOH494
BTYR204
BSER205
BTRP206
BARG207
BASN208
BSER209
BTRP214
BSER249
BPHE250
BHOH420
DHOH101
DHOH102
DHOH103
DHOH104
DHOH105
DHOH106
DHOH107
DHOH108

Functional Information from PROSITE/UniProt
site_idPS01121
Number of Residues15
DetailsCASPASE_HIS Caspase family histidine active site. HskrsSfvCvLLSHG
ChainResidueDetails
AHIS108-GLY122

site_idPS01122
Number of Residues12
DetailsCASPASE_CYS Caspase family cysteine active site. KPKLFIIQACRG
ChainResidueDetails
ALYS154-GLY165

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsMOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631
ChainResidueDetails
BARG207
ACYS163

site_idSWS_FT_FI2
Number of Residues1
DetailsMOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895
ChainResidueDetails
AMET1

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P70677
ChainResidueDetails
ALYS11

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER26

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689
ChainResidueDetails
ACYS163

Catalytic Information from CSA
site_idMCSA1
Number of Residues
DetailsM-CSA 815
ChainResidueDetails
ATHR62electrostatic stabiliser
ASER63electrostatic stabiliser
AHIS121electrostatic stabiliser, proton acceptor, proton donor
AGLY122electrostatic stabiliser
ACYS163electrostatic stabiliser

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PDB entries from 2024-07-17

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