Structure of PDB 6xo2 Chain A Binding Site BS01

Receptor Information

>6xo2 Chain A (length=294) Species: 32264 (Tetranychus urticae)

QSMTESTVDRINGITPSALDLIGNTPLIALDRLWPGPGRLLAKCEFLNPT
ASLKDRSSYYMIAKAKESGQLKDGESVIEVTSGNQGGGIACVTAVMGHPF
TVTMSKGNSPQRAIMMNALGANVILVDQVTGKPGNVTADDVAAAEETAMK
IREETNAYYVDQFNNPTNCLAHYETTGPEIWRQTNGRIDAFLVGCGTGGC
FVGTSKFLKEKNPNVRCFVVEPEGPIAGCTNDSISVSDEEAIEYRKLLGQ
KEGLFCGFTTGGNIAAAIKLLKSGQLPKDAWVVTILCDSGLKYP

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: 6xo2 Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xo2 Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): L51 K52 N82 C193 G194 T195 G196 C198 I226 T284 C312 D313
• Binding residue (residue number reindexed from 1): L53 K54 N84 C195 G196 T197 G198 C200 I226 T259 C287 D288
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0019344 cysteine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6xo2, PDBe:6xo2, PDBj:6xo2
• PDBsum: 6xo2
• PubMed: 35063675
• UniProt: T1KF23