Structure of PDB 7wud Chain B Binding Site BS01

Receptor Information

>7wud Chain B (length=322) Species: 2183910 (Rhodobacter sp. 140A)

QLTILEALIICETVPGEAIQYSRYSLDRTSPLAGGCAWIEGAFVPAAAAR
ISIFDAGFGHSDVTYTVAHVWHGNFFRLEDHVERFLAGAEKMRIPMPATK
AEIMDLMRGCVSKSGLREAAVNVCVTRGYGRKPALESQLYVYAIPYLWVF
SPIRQIEGIDAVIAQSVRRSPANVMDPWIKNYQWGDLVRATFEAQERGAR
TAFLLDSDGFVTEGPGFNVLMVKDGTVFTAARNVLPGITRRTALEIARDF
GLQTVIGDVTPEMLRGADEIFAATTAGGVTPVVALDGAPVGAGVPGDWTR
KIRTRYWQMMDEPSDLIEPVSY

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: 7wud Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7wud an (R)-Selective Transaminase mutant
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): R89 K191 E224 G227 F228 N229 L246 G248 I249 T250 T285 T286
• Binding residue (residue number reindexed from 1): R84 K180 E213 G216 F217 N218 L235 G237 I238 T239 T274 T275
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.6.1.21: D-amino-acid transaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity

Biological Process

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

External links

• PDB: RCSB:7wud, PDBe:7wud, PDBj:7wud
• PDBsum: 7wud
• UniProt: A0A8M0FGQ9