Structure of PDB 7z79 Chain B Binding Site BS01

Receptor Information

>7z79 Chain B (length=306) Species: 1246301 (Variovorax paradoxus B4)

TTSSQAYAPDARNDAVLVYVNGQFVPRHQAVVSVFDAGYVCGDGVWEGVR
LVDGRIVSFDAHIDRMYEGAKSIALDIGMTRAQTKQVVVDTFLRNGMRDG
AHARLMVTRGVKKTPNQDPRFIIGGATVVCVAEHKVVTPEAKRNGLKLFT
STLRCSGPDVFDLRLNSHSRLNLIQALIQAIQAGADEALMLDPNGFVSSC
NSTNFFAVRNGALWTSSGRYCFNGITRATVVRLAREAGIPVHEGDFTLAE
VYAADEAFVTGTLAGLTPVSSVDGRALVPLGPLTQRLDALYRAYIASANE
AHGALP

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: 7z79 Chain B Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7z79 A Puzzling Protein from Variovorax paradoxus Has a PLP Fold Type IV Transaminase Structure and Binds PLP without Catalytic Lysine
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): W54 R73 N174 S210 T211 F230 G232 I233 T234 G269 T270
• Binding residue (residue number reindexed from 1): W46 R65 N166 S202 T203 F222 G224 I225 T226 G261 T262
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0046394 carboxylic acid biosynthetic process

External links

• PDB: RCSB:7z79, PDBe:7z79, PDBj:7z79
• PDBsum: 7z79
• UniProt: T1XIY1