Structure of PDB 3if2 Chain A Binding Site BS01

Receptor Information

>3if2 Chain A (length=437) Species: 259536 (Psychrobacter arcticus 273-4)

GMKFSKFGQKFTQPTGISQLMDDLGDALKSDQPVNMLGGGNPAKIDAVNE
LFLETYKALGNDNDTGKANSSAIISMANYSNPQGDSAFIDALVGFFNRHY
DWNLTSENIALTNGSQNAFFYLFNLFGGAFVNEKSVDKSILLPLTPEYIG
YSDVHVEGQHFAAVLPHIDEVTHDGEEGFFKYRVDFEALENLPALKEGRI
GAICCSRPTNPTGNVLTDEEMAHLAEIAKRYDIPLIIDNAYGMPFPNIIY
SDAHLNWDNNTILCFSLSKIGLPGMRTGIIVADAKVIEAVSAMNAVVNLA
PTRFGAAIATPLVANDRIKQLSDNEIKPFYQKQATLAVKLLKQALGDYPL
MIHKPEGAIFLWLWFKDLPISTLDLYERLKAKGTLIVPSEYFFPGVDVSD
YQHAHECIRMSIAADEQTLIDGIKVIGEVVRELYDNK

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: 3if2 Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3if2 Crystal structure of Putative amino-acid aminotransferase (YP_265399.1) from Psychrobacter arcticum 273-4 at 2.50 A resolution
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): G113 S114 Q115 Y154 N216 D244 A246 Y247 S272 S274 K275 R282
• Binding residue (residue number reindexed from 1): G114 S115 Q116 Y148 N210 D238 A240 Y241 S266 S268 K269 R276
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0009042 valine-pyruvate transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009058 biosynthetic process
• GO:1901605 alpha-amino acid metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3if2, PDBe:3if2, PDBj:3if2
• PDBsum: 3if2
• UniProt: Q4FPU3