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4HVA

Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6

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 Residues13
DetailsBINDING SITE FOR RESIDUE 4HV B 401
ChainResidue
BLEU61
DVAL2
DGLU3
DILE4
D4H05
BHIS121
BGLY122
BTYR128
BHIS168
BHIS219
BCYS264
BLYS265
BALA269

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 4HV A 401
ChainResidue
ALEU61
APRO62
AHIS121
AGLY122
AHIS168
AHIS219
ACYS264
CVAL2
CGLU3
CILE4
CHOH504

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR CHAIN C OF VEID INHIBITOR
ChainResidue
AARG64
AARG65
ASER120
AHIS121
AGLY122
AGLN161
AALA162
ACYS163
ATYR217
ASER218
AHIS219
AARG220
ATHR222
APHE263
ACYS264
ALYS265
A4HV401
AHOH543
AHOH610
CHOH501
CHOH502
CHOH503

site_idAC4
Number of Residues18
DetailsBINDING SITE FOR CHAIN D OF VEID INHIBITOR
ChainResidue
BARG64
BARG65
BSER120
BHIS121
BGLY122
BGLN161
BCYS163
BTYR217
BSER218
BHIS219
BARG220
BTHR222
BPHE263
BCYS264
BLYS265
B4HV401
BHOH522
DHOH101

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

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

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:30420425
ChainResidueDetails
AHIS121
BHIS121

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:16123779, ECO:0000269|PubMed:19133298, ECO:0000269|PubMed:19694615, ECO:0000269|PubMed:20890311, ECO:0000269|PubMed:28864531, ECO:0000269|PubMed:30420425
ChainResidueDetails
ACYS163
BCYS163

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:O08738
ChainResidueDetails
ASER79
BSER79

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by NUAK1 and AMPK => ECO:0000269|PubMed:15273717, ECO:0000269|PubMed:22483120, ECO:0000269|PubMed:32029622
ChainResidueDetails
AGLY271
BGLY271

site_idSWS_FT_FI5
Number of Residues4
DetailsLIPID: S-palmitoyl cysteine => ECO:0000269|PubMed:27911442
ChainResidueDetails
APHE278
ALYS291
BPHE278
BLYS291

223166

PDB entries from 2024-07-31

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