Structure of PDB 5iwq Chain A Binding Site BS01

Receptor Information
>5iwq Chain A (length=424) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSLQDFDAERIGLFHEDIKRKFDELKSKNLKLDLTRGKPSSEQLDFADEL
LALPGKGDFKAADGTDVRNYGGLDGIVDIRQIWADLLGVPVEQVLAGDAS
SLNIMFDVISWSYIFGNNDSVQPWSKEETVKWICPVPGYDRHFSITERFG
FEMISVPMNEDGPDMDAVEELVKNPQVKGMWVVPVFSNPTGFTVTEDVAK
RLSAMETAAPDFRVVWDNAYAVHTLTDEFPEVIDIVGLGEAAGNPNRFWA
FTSTSKITLAGAGVSFFLTSAENRKWYTGHAGIRGIGPNKVNQLAHARYF
GDAEGVRAVMRKHAASLAPKFNKVLEILDSRLAEYGVAQWTVPAGGYFIS
LDVVPGTASRVAELAKEAGIALTGAGSSYPLRQDPENKNLRLAPSLPPVE
ELEVAMDGVATCVLLAAAEHYANL
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5iwq Chain A Residue 501 [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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PDB5iwq Structural Insights into a Novel Class of Aspartate Aminotransferase from Corynebacterium glutamicum.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S103 S104 L105 Y142 V186 D220 A222 Y223 S256 S258 K259
Binding residue
(residue number reindexed from 1)		S100 S101 L102 Y139 V183 D217 A219 Y220 S253 S255 K256
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
Gene Ontology
Molecular Function
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity

View graph for
Molecular Function
External links
PDB RCSB:5iwq, PDBe:5iwq, PDBj:5iwq
PDBsum5iwq
PubMed27355211
UniProtQ8NTR2|ASPAT_CORGL Aspartate aminotransferase (Gene Name=Cgl0240)

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