Structure of PDB 6c1j Chain A Binding Site BS01

Receptor Information
>6c1j Chain A (length=127) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMFADDATVENPFGQPPIHGR
EQIAAFFRQGLGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALD
VIDVMRFDEHGRIQTMQAYWSEVNLSV
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 chain6c1j 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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PDB6c1j Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
Resolution1.063 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:6c1j, PDBe:6c1j, PDBj:6c1j
PDBsum6c1j
PubMed29990421
UniProtP07445|SDIS_PSEPU Steroid Delta-isomerase (Gene Name=ksi)

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