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6UCY

Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione 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 Residues16
Detailsbinding site for residue ASD B 201
ChainResidue
ATRP92
BMET90
BLEU99
BASP103
BTRP120
BHOH337
BHOH339
BHOH342
AASN93
BTYR16
BVAL20
BASP40
BPHE56
BGLY60
BLEU61
BPHE86

site_idAC2
Number of Residues6
Detailsbinding site for residue CL B 202
ChainResidue
ATHR71
AHOH335
AHOH401
BGLY72
BARG75
BHOH373

site_idAC3
Number of Residues14
Detailsbinding site for residue ASD A 201
ChainResidue
ATYR16
AASP40
APHE56
AMET90
ALEU99
AASP103
AMET116
ATRP120
AHOH326
AHOH372
AHOH374
BTRP92
BASN93
BHOH349

site_idAC4
Number of Residues7
Detailsbinding site for residue MG A 202
ChainResidue
AGLU18
AASP21
AHOH383
AHOH384
AHOH407
AHOH415
AHOH448

site_idAC5
Number of Residues6
Detailsbinding site for residue MG A 203
ChainResidue
AHOH303
AHOH348
AHOH355
AHOH379
AHOH426
AHOH429

site_idAC6
Number of Residues6
Detailsbinding site for residue CL A 204
ChainResidue
AGLY72
AARG75
AHOH389
AHOH401
BTHR71
BHOH386

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

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
BASP40
AASP40

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

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
BTYR16proton acceptor, proton donor
BASP40proton acceptor, proton donor
BASP100electrostatic stabiliser
BASP103electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 349
ChainResidueDetails
ATYR16proton acceptor, proton donor
AASP40proton acceptor, proton donor
AASP100electrostatic stabiliser
AASP103electrostatic stabiliser

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PDB entries from 2024-08-07

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