Structure of PDB 5lh9 Chain C Binding Site BS01

Receptor Information
>5lh9 Chain C (length=447) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKYKNAEKKFWHPMGSSAAPHRDKTLVIARGDGNYITDIDGQRMLDGVGG
LWNVNIGHNRASVKAAIAAQLDELAYYQTFDGIAHPRVFDLAERLTGMFA
QERMARVLFSSGGSDAVETALKMARQYWIASGEPGRTRFLSLRNGYHGVH
MGGTSVGGNGVYHYNHGQLLAGCHLLDTPWLYRNPWDCRDPQALTAHCIR
QLEEQIALLGAQTIAALIAEPVQGAGGVIVPPADYWPRLREVCDRHGILL
IADEVVTGFGRSGCMLGSRGWGVAPDILCLAKGITAGYIPLGATLFNQRI
ADAIENGQGFSHMIMHGYTYSGHPTACAAALAVLDIVEAEDLPGNAAKVG
AQLLEQLQPLVERYAVVGEVRGKGLMIALDLVSDKRTRQPLDPAAGQPSR
IADEARRAGVLVRPIGNKIILSPPLTLTRDEAGLMVSALEAAFARCG
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 chain5lh9 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lh9 Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y320 T321
Binding residue
(residue number reindexed from 1)		Y318 T319
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y148 D255 K284 T321
Catalytic site (residue number reindexed from 1) Y146 D253 K282 T319
Enzyme Commision number 2.6.1.18: beta-alanine--pyruvate transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0016223 beta-alanine:pyruvate transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:5lh9, PDBe:5lh9, PDBj:5lh9
PDBsum5lh9
PubMed
UniProtA0A1W2VMW5

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