Structure of PDB 4y9i Chain A Binding Site BS01

Receptor Information
>4y9i Chain A (length=114) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVHVLDRPIVLFTTTGAKSGKKRYVPLMRVEENGKYAMVASKGGDPKHPS
WYFNVKANPTVSVQDGDKVLPDRTARELEGEEREHWWKLAVEAYPPYAEY
QTKTDRLIPVFIVE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4y9i Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y9i Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
Resolution1.498 Å
Binding residue
(original residue number in PDB)		G42 K44 S45 R49
Binding residue
(residue number reindexed from 1)		G16 K18 S19 R23
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4y9i, PDBe:4y9i, PDBj:4y9i
PDBsum4y9i
PubMed26434506
UniProtA0QU01

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