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3FZW

Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin

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 132
ChainResidue
ATYR16
AASN40
AMET90
ALEU99
AASN103
ATRP120
BTRP92
BASN93

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 133
ChainResidue
AASN93
AHOH169
BVAL91
BTRP92
BEQU132
BHOH140
BHOH239
ATRP92

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 134
ChainResidue
AGLU39
APRO46
AHOH150
AHOH198
BASP34
BGLY49
BARG50
BHOH211

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE IPA A 135
ChainResidue
ATHR5
AALA6
AHIS78
AHOH171
AHOH203

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EQU B 132
ChainResidue
AASN93
AGOL133
BTYR16
BASN40
BMET90
BLEU99
BASN103
BTRP120
BHOH243

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
AASN103
BASN103

Catalytic Information from CSA
site_idCSA1
Number of Residues5
DetailsAnnotated By Reference To The Literature 1e3v
ChainResidueDetails
AASN103
AASN40
ATYR32
ATYR16
ATYR57

site_idCSA2
Number of Residues5
DetailsAnnotated By Reference To The Literature 1e3v
ChainResidueDetails
BASN103
BASN40
BTYR32
BTYR16
BTYR57

site_idMCSA1
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
ATYR16proton acceptor, proton donor
AASN40proton acceptor, proton donor
AASP100electrostatic stabiliser
AASN103electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
BTYR16proton acceptor, proton donor
BASN40proton acceptor, proton donor
BASP100electrostatic stabiliser
BASN103electrostatic stabiliser

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PDB entries from 2024-07-10

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