Structure of PDB 5hxx Chain A Binding Site BS01

Receptor Information
>5hxx 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
ELEVAMDGVATCVLLAAAEHYANH
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain5hxx 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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PDB5hxx 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:5hxx, PDBe:5hxx, PDBj:5hxx
PDBsum5hxx
PubMed
UniProtQ8NTR2|ASPAT_CORGL Aspartate aminotransferase (Gene Name=Cgl0240)

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