Structure of PDB 4wbt Chain C Binding Site BS01

Receptor Information

>4wbt Chain C (length=367) Species: 266834 (Sinorhizobium meliloti 1021)

SMSAFSRFTPLIQSLFVGPEALERQHGRKIAARIGANESGFGPAPSVLLA
IRQAAGDTWKYADPENHDLKQALARHLGTSPANIAIGEGIDGLLGQIVRL
VVEAGAPVVTSLGGYPTFNYHVAGHGGRLVTVPYADDREDLEGLLAAVGR
ENAPLVYLANPDNPMGSWWPAERVVAFAQALPETTLLVLDEAYCETAPRD
ALPPIESLIDKPNVIRARTFSKAYGLAGARIGYTLSTPGTAQAFDKIRNH
FGMSRIGVAAAIAALADQDYLKEVTLKIANSRQRIGRIAADSGLAPLPSA
TNFVAVDCGKDASYARAIVDRLMSDHGIFIRMPGVAPLNRCIRISTAPDA
EMDLLAAALPEVIRSLA

Ligand information

• Ligand ID: PLP
• InChI: InChI=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)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 4wbt Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wbt Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): G93 I94 D95 Y119 N167 D194 A196 Y197 T223 S225 K226 R234
• Binding residue (residue number reindexed from 1): G89 I90 D91 Y115 N163 D190 A192 Y193 T219 S221 K222 R230
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.6.1.9: histidinol-phosphate transaminase.

Gene Ontology

Molecular Function

• GO:0004400 histidinol-phosphate transaminase activity
• GO:0008483 transaminase activity
• GO:0016740 transferase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009058 biosynthetic process

External links

• PDB: RCSB:4wbt, PDBe:4wbt, PDBj:4wbt
• PDBsum: 4wbt
• UniProt: Q92R63