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3OWS

Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida 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
C0004769molecular_functionsteroid delta-isomerase activity
C0008202biological_processsteroid metabolic process
C0016853molecular_functionisomerase activity
D0004769molecular_functionsteroid delta-isomerase activity
D0008202biological_processsteroid metabolic process
D0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EQU A 200
ChainResidue
ATYR16
AASN40
AMET90
AASP103
ATRP120
AHOH292

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EQU B 200
ChainResidue
BMET90
BLEU99
BASP103
BTRP120
BHOH233
BTYR16
BASN40
BPHE86

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EQU C 200
ChainResidue
CTYR16
CASN40
CMET90
CASP103
CTRP120
CHOH245

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EQU D 200
ChainResidue
DTYR16
DASN40
DMET90
DTRP92
DASP103
DTRP120
DHOH397

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton donor
ChainResidueDetails
ATYR16
BTYR16
CTYR16
DTYR16

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASN40
BASN40
CASN40
DASN40

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:11007792
ChainResidueDetails
AASP103
BASP103
CASP103
DASP103

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

site_idMCSA3
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
CTYR16proton acceptor, proton donor
CASN40proton acceptor, proton donor
CASP100electrostatic stabiliser
CASP103electrostatic stabiliser

site_idMCSA4
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
DTYR16proton acceptor, proton donor
DASN40proton acceptor, proton donor
DASP100electrostatic stabiliser
DASP103electrostatic stabiliser

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PDB entries from 2024-11-13

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