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6UBQ

Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 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 Residues10
Detailsbinding site for residue ASD A 201
ChainResidue
ATYR16
BASN93
AASP40
APHE86
AMET90
ALEU99
AASP103
ATRP120
AHOH302
AHOH352

site_idAC2
Number of Residues5
Detailsbinding site for residue CL A 202
ChainResidue
AGLY72
AARG75
AHOH314
AHOH381
BTHR71

site_idAC3
Number of Residues11
Detailsbinding site for residue ASD B 201
ChainResidue
AASN93
BTYR16
BASP40
BPHE86
BMET90
BLEU99
BASP103
BTRP120
BHOH306
BHOH313
BHOH339

site_idAC4
Number of Residues5
Detailsbinding site for residue CL B 202
ChainResidue
ATHR71
AHOH381
BGLY72
BARG75
BHOH340

site_idAC5
Number of Residues6
Detailsbinding site for residue MG B 203
ChainResidue
BHOH310
BHOH332
BHOH354
BHOH396
BHOH416
BHOH432

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 2024-09-11

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