Structure of PDB 7mfj Chain AAA Binding Site BS01

Receptor Information

>7mfj Chain AAA (length=288) Species: 32264 (Tetranychus urticae)

SMTESTVDRINGITPSALDLIGNTPLIALDRLWPGPGRLLAKCEFLNPTA
SLKDRSSYYMIAKAKESGQLKDGESVIEVTSGNQGGGIACVTAVMGHPFT
VTMSKGNSPQRAIMMNALGANVILVDQVTGKPGNVTADDVAAAEETAMKI
REETNAYYVDQFNNPTNCLAHYETTGPEIWRQTNGRIDAFLVGCGTGGCF
VGTSKFLKEKNPNVRCFVVEPEYNDSISVSDEEAIEYRKLLGQKEGLFCG
FTTGGNIAAAIKLLKSGQLPKDAWVVTILCDSGLKYPE

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: 7mfj Chain AAA Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mfj Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
• Resolution: 2.351 Å
• Binding residue (original residue number in PDB): L51 K52 N82 C193 G194 T195 G196 C198 T284 C312 D313
• Binding residue (residue number reindexed from 1): L52 K53 N83 C194 G195 T196 G197 C199 T252 C280 D281
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0019344 cysteine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7mfj, PDBe:7mfj, PDBj:7mfj
• PDBsum: 7mfj
• PubMed: 35063675
• UniProt: T1KF23