Structure of PDB 3kkf Chain A Binding Site BS02

Receptor Information
>3kkf Chain A (length=105) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAENNMVRLSRIIIDPERLEEYNAYLKEEIEVSMRLEPGVLVLYAVAEKE
RPNHVTILEIYADEAAYKSHIATPHFKKYKEGTLDMVQMLELIDATPLIP
GLKMK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3kkf Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3kkf Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_810307.1) from Bacteriodes thetaiotaomicron VPI-5482 at 1.30 A resolution
Resolution1.3 Å
Binding residue
(original residue number in PDB)		G0 N30 N31 A88
Binding residue
(residue number reindexed from 1)		G1 N4 N5 A62
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3kkf, PDBe:3kkf, PDBj:3kkf
PDBsum3kkf
PubMed
UniProtQ8A7Y0

[Back to BioLiP]