6C17

Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004769	molecular_function	steroid Delta-isomerase activity
A	0006629	biological_process	lipid metabolic process
A	0008202	biological_process	steroid metabolic process
A	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue MG A 201

Chain	Residue
A	HOH308
A	HOH351
A	HOH371
A	HOH396
A	HOH421

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site_id	AC2
Number of Residues	11
Details	binding site for residue DNX A 202

Chain	Residue
A	LEU61
A	PHE86
A	ASP103
A	MET116
A	ALA118
A	HOH360
A	HOH367
A	TYR16
A	ASN40
A	PHE56
A	TYR57

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11007792","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
A	TYR16	proton acceptor, proton donor
A	ASN40	proton acceptor, proton donor
A	ASP100	electrostatic stabiliser
A	ASP103	electrostatic stabiliser

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