Structure of PDB 7mcu Chain H Binding Site BS01

Receptor Information

>7mcu Chain H (length=380) Species: 1280 (Staphylococcus aureus)

SNKKTKLIHGGHTTDDYTGAVTTPIYQTSTYLQDDIGDLRQGYEYSRTAN
PTRSSVESVIATLENGKHGFAFSSGVAAISAVVMLLDKGDHIILNSDVYG
GTYRALTKVFTRFGIEVDFVDTTHTDSIVQAIRPTTKMLFIETPSNPLLR
VTDIKKSAEIAKEHGLISVVDNTFMTPYYQNPLDLGIDIVLHSATKYLGG
HSDVVAGLVATSDDKLAERLAFISNSTGGILGPQDSYLLVRGIKTLGLRM
EQINRSVIEIIKMLQAHPAVQQVFHPSIESHLNHDVHMAQADGHTGVIAF
EVKNTESAKQLIKATSYYTLAESLGAVESLISVPALMTHASIPADIRAKE
GITDGLVRISVGIEDTEDLVDDLKQALDTL

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: 7mcu Chain H Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mcu Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): S1 K6 H9 G10
• Binding residue (residue number reindexed from 1): S1 K6 H9 G10
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.48: cystathionine gamma-synthase.
  4.4.1.1: cystathionine gamma-lyase.
  4.4.1.8: Transferred entry: 4.4.1.13.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0003962 cystathionine gamma-synthase activity
• GO:0016846 carbon-sulfur lyase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0019346 transsulfuration

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7mcu, PDBe:7mcu, PDBj:7mcu
• PDBsum: 7mcu
• PubMed: 34112687
• UniProt: A0A0H3K724