Structure of PDB 5lha Chain D Binding Site BS01

Receptor Information
>5lha Chain D (length=446) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYKNAEKKFWHPMGSSAAPHRDKTLVIARGDGNYITDIDGQRMLDGVGGL
WNVNIGHNRASVKAAIAAQLDELAYYQTFDGIAHPRVFDLAERLTGMFAQ
ERMARVLFSSGGSDAVETALKMARQYWIASGEPGRTRFLSLRNGYHGVHM
GGTSVGGNGVYHYNHGQLLAGCHLLDTPWLYRNPWDCRDPQALTAHCIRQ
LEEQIALLGAQTIAALIAEPVQGAGGVIVPPADYWPRLREVCDRHGILLI
ADEVVTGFGRSGCMLGSRGWGVAPDILCLAKGITAGYIPLGATLFNQRIA
DAIENGQGFSHMIMHGYTYSGHPTACAAALAVLDIVEAEDLPGNAAKVGA
QLLEQLQPLVERYAVVGEVRGKGLMIALDLVSDKRTRQPLDPAAGQPSRI
ADEARRAGVLVRPIGNKIILSPPLTLTRDEAGLMVSALEAAFARCG
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 chain5lha Chain D 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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PDB5lha Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		G115 S116 Y148 E222 D255 V257 K284
Binding residue
(residue number reindexed from 1)		G112 S113 Y145 E219 D252 V254 K281
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y148 D255 K284 T321
Catalytic site (residue number reindexed from 1) Y145 D252 K281 T318
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:5lha, PDBe:5lha, PDBj:5lha
PDBsum5lha
PubMed
UniProtA0A1W2VMW5

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