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1E3R

Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one

Functional Information from GO Data
ChainGOidnamespacecontents
A0004769molecular_functionsteroid Delta-isomerase activity
A0006629biological_processlipid metabolic process
A0008202biological_processsteroid metabolic process
A0016853molecular_functionisomerase activity
B0004769molecular_functionsteroid Delta-isomerase activity
B0006629biological_processlipid metabolic process
B0008202biological_processsteroid metabolic process
B0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE AND A 801
ChainResidue
ATYR16
BASN93
AASN40
AGLY60
APHE86
AMET90
AASP103
AMET116
ATRP120
BTRP92

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE AND B 801
ChainResidue
ATRP92
AASN93
BTYR16
BASN40
BPHE86
BMET90
BASP103
BTRP120

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_idCSA1
Number of Residues5
DetailsAnnotated By Reference To The Literature 1e3v
ChainResidueDetails
AASP103
AASN40
ATYR32
ATYR16
ATYR57

site_idCSA2
Number of Residues5
DetailsAnnotated By Reference To The Literature 1e3v
ChainResidueDetails
BASP103
BASN40
BTYR32
BTYR16
BTYR57

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

237992

PDB entries from 2025-06-25

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