Structure of PDB 3ckq Chain A Binding Site BS01

Receptor Information
>3ckq Chain A (length=302) Species: 262316 (Mycobacterium avium subsp. paratuberculosis K-10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLRDTRPGDTWLADRSWNRPGWTVAELEAAKAGRTISVVLPALDEEDTIG
SVIDSISPLVDGLVDELIVLDSGSTDDTEIRAVAAGARVVSREQALPEVP
IRPGKGEALWRSLAASRGDIVVFVDSDLINPHPMFVPWLVGPLLTGDGVH
LVKSFYRRPLGGRVTELVARPLLAALRPELGCILQPLGGEYAATRELLTS
VPFAPGYGVEIGLLVDTFDRLGLDAIAQVNLGVREHRNRPLAELGAMSRQ
VIATLLSRCGIPDSGVGLTQFVADGPEGQSYTQHTWPVSLADRPPMQAIR
PR
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3ckq Chain A Residue 330 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ckq Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D141 H263
Binding residue
(residue number reindexed from 1)		D127 H236
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.266: glucosyl-3-phosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ckq, PDBe:3ckq, PDBj:3ckq
PDBsum3ckq
PubMed18667419
UniProtQ73WU1|GPGS_MYCPA Glucosyl-3-phosphoglycerate synthase (Gene Name=MAP_2569c)

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