Structure of PDB 7mct Chain H Binding Site BS03

Receptor Information
>7mct 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 IDLB6
InChIInChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)
InChIKeyCWLHYPMSORHOPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21
OpenEye OEToolkits 2.0.7c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br
CACTVS 3.385OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12
FormulaC12 H11 Br N2 O3
NameN-[(6-bromo-1H-indol-1-yl)acetyl]glycine
ChEMBL
DrugBank
ZINCZINC000020722384
PDB chain7mct Chain H Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mct Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		P177 Y178
Binding residue
(residue number reindexed from 1)		P177 Y178
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mct, PDBe:7mct, PDBj:7mct
PDBsum7mct
PubMed34112687
UniProtA0A0H3K724

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