Structure of PDB 3ppl Chain B Binding Site BS01

Receptor Information
>3ppl Chain B (length=422) 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
ELEVAMDGVATCVLLAAAEHYA
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 chain3ppl Chain B Residue 500 [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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PDB3ppl Crystal structure of an aspartate transaminase (NCgl0237, Cgl0240) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 1.25 A resolution
Resolution1.25 Å
Binding residue
(original residue number in PDB)		S103 S104 L105 Y142 D220 A222 Y223 S256 S258 K259
Binding residue
(residue number reindexed from 1)		S100 S101 L102 Y139 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:3ppl, PDBe:3ppl, PDBj:3ppl
PDBsum3ppl
PubMed
UniProtQ8NTR2|ASPAT_CORGL Aspartate aminotransferase (Gene Name=Cgl0240)

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