Structure of PDB 1elq Chain A Binding Site BS01

Receptor Information

>1elq Chain A (length=381) Species: 1147 (Synechocystis sp. PCC 6714)

QFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQ
LIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDC
EHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVI
LSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRL
EVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEP
TGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFL
WRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTI
ADPDCIRACCHYITDEEEINHLLARLADFGP

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: 1elq Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1elq Crystal structure of the cystine C-S lyase from Synechocystis: stabilization of cysteine persulfide for FeS cluster biosynthesis.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N87 V88 T89 H114 W168 D197 A199 Q200 K223
• Binding residue (residue number reindexed from 1): N75 V76 T77 H102 W156 D185 A187 Q188 K211
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H114 D197 A199 Q200 K223 R360
• Catalytic site (residue number reindexed from 1): H102 D185 A187 Q188 K211 R348

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

External links

• PDB: RCSB:1elq, PDBe:1elq, PDBj:1elq
• PDBsum: 1elq
• PubMed: 10760256
• UniProt: Q9ZHG9