Structure of PDB 5z0q Chain E Binding Site BS01

Receptor Information

>5z0q Chain E (length=378) Species: 465817 (Erwinia tasmaniensis Et1/99)

NFDQRIDRRHSDSLKWKKYADRDILPLWIADTDFRAADCIIDALQQRVQQ
GVFGYGVTSEALAEVAIERMESRFGWKIQPEWLVFLPGVVTGINIAVRAF
TEAHQSTVSATPIYPPFFLAPKLAGRQHLSAALRLEQQRWVLDLDSHEDR
MSGNEKLLLLCNPHNPGGTVYRRKELEAQLRFAQRHDLLVCSDEIHCDLV
LEPGVQHIPFASLSDDAAQRSITLMSPSKSFNIAGLGASLAVIPNPELRA
RFNRMRKGMVPDVDVLAYVAASAAWREGQPWLDAQLDYLRANRDMLAQHV
NRLPGLSMVTPEASFLGWIDASGLGVADPALFFEKHGLGFSSGRDFGNDR
FVRFNFGCPRQLLEEALQRMTRALTSGY

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: 5z0q Chain E Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5z0q In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
• Resolution: 2.77 Å
• Binding residue (original residue number in PDB): G99 V100 Y125 N176 D204 I206 H207 K240
• Binding residue (residue number reindexed from 1): G88 V89 Y114 N165 D193 I195 H196 K229
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.4.1.13: cysteine-S-conjugate beta-lyase.

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009058 biosynthetic process

External links

• PDB: RCSB:5z0q, PDBe:5z0q, PDBj:5z0q
• PDBsum: 5z0q
• PubMed: 30141637
• UniProt: B2VJB8