Structure of PDB 5u8p Chain A Binding Site BS02

Receptor Information
>5u8p Chain A (length=292) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTNPVDLYPKPPFPHQVQAPPGLASRMQPRPDHGEQSYRGRGRLVGRKT
LVTGGDSGIGRAAAIAFAREGADVAIGYLPVEESDAREVVALIRAAGRQA
VALPGDIRDETFCQRLVARAAEALGGLDILVNNAARQQALDSIGEMTTEH
FDATVKTNLYGMFWITKAAIPHLPPGASIINTTSVQAVRASANLLDYATT
KAGIIAFTRSLAKQLGPRGIRVNAVAPGPYWTPLQSSGGQPPETVVNYAA
GSPYGRPGQPAEIAPLYVALAASETSYANGQVWGADGGLGIF
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 chain5u8p Chain A Residue 401 [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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PDB5u8p Crystal structure of a short chain dehydrogenase from Burkholderia cenocepacia J2315 in complex with NAD
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D92 S93 E118
Binding residue
(residue number reindexed from 1)		D56 S57 E82
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G94 S220 L230 Y233 K237 P278
Catalytic site (residue number reindexed from 1) G58 S184 L194 Y197 K201 P242
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:5u8p, PDBe:5u8p, PDBj:5u8p
PDBsum5u8p
PubMed
UniProtB4EEE3

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