Structure of PDB 4jqp Chain B Binding Site BS02

Receptor Information
>4jqp Chain B (length=330) Species: 391038 (Paraburkholderia phymatum STM815) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYLPVIGITMGDAAGVGAEVVVKSLAHASVYAQCRPLVIGDAKRLERANQ
IVGGEMKIRRIEDASEARYEQGTIDCIDLGLIPDDLPFGQLSAIAGDAAY
QYIKRAVELAQSGKIDAICTAPLNKEALHAGGHKYPGHTEMLAHLTGVDE
VSMMLVAPQLRVIHVTTHIGIIDAIRKIEPGLVQRTIERGNATLVKAGIE
RPRIGVCGINPHAGENGLFGYGEEEEKIIPAVTLLQERGLDVTGPLPADT
LFFRAGRGDFDLVVAMYHDQGHGPVKVLGLEAGVNVTVGLEVIRTSVDHG
TAFDIAGKGVVDEGSMLEALRQGAELATRR
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 chain4jqp Chain B Residue 403 [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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PDB4jqp X-ray crystal structure of a 4-hydroxythreonine-4-phosphate dehydrogenase from Burkholderia phymatum
Resolution1.65 Å
Binding residue
(original residue number in PDB)		T178 T179 K189
Binding residue
(residue number reindexed from 1)		T166 T167 K177
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.262: 4-hydroxythreonine-4-phosphate dehydrogenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050570 4-hydroxythreonine-4-phosphate dehydrogenase activity
GO:0051287 NAD binding

View graph for
Molecular Function
External links
PDB RCSB:4jqp, PDBe:4jqp, PDBj:4jqp
PDBsum4jqp
PubMed
UniProtB2JVC5

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