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6C1J

Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol

Functional Information from GO Data
ChainGOidnamespacecontents
A0004769molecular_functionsteroid delta-isomerase activity
A0008202biological_processsteroid metabolic process
A0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue MG A 201
ChainResidue
AHOH323
AHOH339
AHOH344
AHOH392
AHOH435
AHOH453

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 202
ChainResidue
AHOH308
AHOH363
AHOH387
AGLU18
AASP21
AHOH303

site_idAC3
Number of Residues6
Detailsbinding site for residue CL A 203
ChainResidue
ATHR71
AGLY72
AARG75
AHOH362
AHOH428
AHOH428

site_idAC4
Number of Residues11
Detailsbinding site for residue DNX A 204
ChainResidue
ATYR16
AASN40
APHE56
APHE57
ALEU61
APHE86
AASP103
AMET116
AHOH310
AHOH400
AHOH425

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor
ChainResidueDetails
ATYR16

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASN40

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:11007792
ChainResidueDetails
AASP103

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
ATYR16proton acceptor, proton donor
AASN40proton acceptor, proton donor
AASP100electrostatic stabiliser
AASP103electrostatic stabiliser

223532

PDB entries from 2024-08-07

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