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4BCB

PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006508biological_processproteolysis
A0008236molecular_functionserine-type peptidase activity
A0070012molecular_functionoligopeptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 4I4 A 791
ChainResidue
APHE173
AARG643
AVAL644
AHOH2590
AHOH2639
AGLY254
ATYR473
APHE476
ASER554
AASN555
AVAL580
ATRP595
ATYR599

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TAM A 1711
ChainResidue
AILE118
ALEU119
ASER120
AASP121
ALYS445
AASP446
AASN522
AASN525
AHOH2214
AHOH2621
AHOH2739
AHOH2740

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1712
ChainResidue
ALYS48
AARG312
AGLU323
ATRP326
AVAL328
AHOH2470

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1713
ChainResidue
AALA226
AGLU227
APHE228
AILE276
ALYS281
AHOH2741
AHOH2742

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1714
ChainResidue
AGLY553
ASER554
AVAL578
AHIS680

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1715
ChainResidue
APRO568
AASP569
APHE571
AILE628
AGLN629
APRO631
AASN668
AHOH2635
AHOH2710

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1716
ChainResidue
AGLU239
AASP291
ATYR292
AHOH2378
AHOH2440
AHOH2441
AHOH2443

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1717
ChainResidue
AVAL341
AHOH2441
AHOH2443
AHOH2535
AHOH2743

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 1718
ChainResidue
AASP8
AVAL9
ATRP30
AGLN38
AALA41
APHE42
AHOH2023
AHOH2291
AHOH2744
AHOH2745

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1719
ChainResidue
AVAL258
AGLU287
AASN305
AGLU512
ALYS516
AHOH2401
AHOH2435
AHOH2454
AHOH2455

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1720
ChainResidue
ATYR190
AGLN193
ATHR204
AASN205
ALEU206
AHOH2746

Functional Information from PROSITE/UniProt
site_idPS00708
Number of Residues31
DetailsPRO_ENDOPEP_SER Prolyl endopeptidase family serine active site. DfqcAaeyLikegytspkrltinGgSnGGLL
ChainResidueDetails
AASP529-LEU559

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084, ECO:0000269|PubMed:1900195
ChainResidueDetails
ASER554

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AASP641

site_idSWS_FT_FI3
Number of Residues1
DetailsACT_SITE: Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084, ECO:0000269|PubMed:2064618
ChainResidueDetails
AHIS680

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: N-acetylmethionine => ECO:0000250|UniProtKB:P48147
ChainResidueDetails
AMET1

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P48147
ChainResidueDetails
ALYS157

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 901
ChainResidueDetails
ATYR473electrostatic stabiliser
ASER554covalent catalysis, proton shuttle (general acid/base)
AASP641electrostatic stabiliser, modifies pKa
AHIS680proton shuttle (general acid/base)

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PDB entries from 2024-07-24

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