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5KP3

Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y57(Cl-Y)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004769molecular_functionsteroid delta-isomerase activity
A0008202biological_processsteroid metabolic process
A0016853molecular_functionisomerase activity
B0004769molecular_functionsteroid delta-isomerase activity
B0008202biological_processsteroid metabolic process
B0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues8
Detailsbinding site for residue EQU A 201
ChainResidue
ATYR16
AASN40
APHE86
AMET90
ALEU99
AASP103
ATRP120
BASN93

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 202
ChainResidue
ATHR115
AGLN117
AHOH315
AHOH346
AARG106

site_idAC3
Number of Residues8
Detailsbinding site for residue EQU B 201
ChainResidue
AASN93
BTYR16
BASN40
BPHE86
BMET90
BLEU99
BASP103
BTRP120

site_idAC4
Number of Residues3
Detailsbinding site for residue SO4 B 202
ChainResidue
BARG106
BTHR115
BGLN117

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor
ChainResidueDetails
ATYR16
BTYR16

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASN40
BASN40

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:11007792
ChainResidueDetails
AASP103
BASP103

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

site_idMCSA2
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
BTYR16proton acceptor, proton donor
BASN40proton acceptor, proton donor
BASP100electrostatic stabiliser
BASP103electrostatic stabiliser

219869

PDB entries from 2024-05-15

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