Structure of PDB 7rxf Chain A Binding Site BS01

Receptor Information
>7rxf Chain A (length=128) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEDPFGQPPIHGR
EQIAAFFRQGLGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALD
VIDVMRFDEHGRIQTMQAYWSEVNLSVR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7rxf Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rxf Ensemble-function relationships to evaluate catalysis in the ketosteroid isomerase oxyanion hole
Resolution1.16 Å
Binding residue
(original residue number in PDB)		E18 D21
Binding residue
(residue number reindexed from 1)		E18 D21
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.3.1: steroid Delta-isomerase.
Gene Ontology
Molecular Function
GO:0004769 steroid delta-isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0008202 steroid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7rxf, PDBe:7rxf, PDBj:7rxf
PDBsum7rxf
PubMed36240280
UniProtP07445|SDIS_PSEPU Steroid Delta-isomerase (Gene Name=ksi)

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