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6UCN

Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K

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 Residues14
Detailsbinding site for residue EQU A 201
ChainResidue
ATYR16
ATRP120
AHOH311
AHOH338
BTRP92
BASN93
AASP40
AGLY60
AVAL66
APHE86
AMET90
ALEU99
AASP103
AMET116

site_idAC2
Number of Residues6
Detailsbinding site for residue CL A 202
ChainResidue
AGLY72
AARG75
BTHR71
BHOH328
BHOH389
BHOH426

site_idAC3
Number of Residues14
Detailsbinding site for residue EQU B 201
ChainResidue
ATRP92
AASN93
AHOH360
BTYR16
BASP40
BVAL66
BPHE86
BVAL88
BMET90
BLEU99
BASP103
BMET116
BTRP120
BHOH306

site_idAC4
Number of Residues6
Detailsbinding site for residue MG B 202
ChainResidue
BHOH304
BHOH351
BHOH360
BHOH380
BHOH396
BHOH410

site_idAC5
Number of Residues6
Detailsbinding site for residue MG B 203
ChainResidue
BGLU18
BASP21
BHOH329
BHOH343
BHOH371
BHOH413

site_idAC6
Number of Residues5
Detailsbinding site for residue CL B 204
ChainResidue
ATHR71
AHOH342
BGLY72
BARG75
BHOH389

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
AASP40
BASP40

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
AASP40proton acceptor, proton donor
AASP100electrostatic stabiliser
AASP103electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
BTYR16proton acceptor, proton donor
BASP40proton acceptor, proton donor
BASP100electrostatic stabiliser
BASP103electrostatic stabiliser

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PDB entries from 2024-06-12

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