Structure of PDB 7mcp Chain H Binding Site BS01
Receptor Information
>7mcp Chain H (length=380) Species:
1280
(Staphylococcus aureus) [
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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
Software
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
7mcp Chain H Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
7mcp
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
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7mcp
,
PDBe:7mcp
,
PDBj:7mcp
PDBsum
7mcp
PubMed
34112687
UniProt
A0A0H3K724
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