Structure of PDB 7mcp Chain H Binding Site BS01

Receptor Information
>7mcp Chain H (length=380) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNKKTKLIHGGHTTDDYTGAVTTPIYQTSTYLQDDIGDLRQGYEYSRTAN
PTRSSVESVIATLENGKHGFAFSSGVAAISAVVMLLDKGDHIILNSDVYG
GTYRALTKVFTRFGIEVDFVDTTHTDSIVQAIRPTTKMLFIETPSNPLLR
VTDIKKSAEIAKEHGLISVVDNTFMTPYYQNPLDLGIDIVLHSATKYLGG
HSDVVAGLVATSDDKLAERLAFISNSTGGILGPQDSYLLVRGIKTLGLRM
EQINRSVIEIIKMLQAHPAVQQVFHPSIESHLNHDVHMAQADGHTGVIAF
EVKNTESAKQLIKATSYYTLAESLGAVESLISVPALMTHASIPADIRAKE
GITDGLVRISVGIEDTEDLVDDLKQALDTL
Ligand information
Ligand IDPLP
InChIInChI=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)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain7mcp Chain H Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7mcp Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Resolution2.4 Å
Binding residue
(original residue number in PDB)
S1 K6 H9 G10
Binding residue
(residue number reindexed from 1)
S1 K6 H9 G10
Annotation score1
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

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component
External links
PDB RCSB:7mcp, PDBe:7mcp, PDBj:7mcp
PDBsum7mcp
PubMed34112687
UniProtA0A0H3K724

[Back to BioLiP]