Structure of PDB 7nlx Chain A Binding Site BS01

Receptor Information
>7nlx Chain A (length=290) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EALPTHIKAQVLAEALPWLKQLHGKVVVVKYGGNAMTDDTLRRAFAADMA
FLRNCGIHPVVVHGGGPQITAMLRRLGIEGDFKGGFRVTTPEVLDVARMV
LFGQVGRELVNLINAHGPYAVGITGEDAQLFTAVRRSVTVDGVATDIGLV
GDVDQVNTAAMLDLVAAGRIPVVSTLAPDADGVVHNINADTAAAAVAEAL
GAEKLLMLTDIDGLYTRWPDRDSLVSEIDTGTLAQLLPTLESGMVPKVEA
CLRAVIGGVPSAHIIDGRVTHCVLVELFTDAGTGTKVVRG
Ligand information
Ligand ID97W
InChIInChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
InChIKeyOWPLFJSQLPTCHS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2cc1C(F)(F)F)O
CACTVS 3.385Oc1ccnc2cc(ccc12)C(F)(F)F
FormulaC10 H6 F3 N O
Name7-(trifluoromethyl)quinolin-4-ol
ChEMBLCHEMBL1335144
DrugBank
ZINCZINC000008577701
PDB chain7nlx Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nlx A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Resolution2.234 Å
Binding residue
(original residue number in PDB)		V125 L134 L168
Binding residue
(residue number reindexed from 1)		V121 L130 L164
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0003991 acetylglutamate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0016310 phosphorylation
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nlx, PDBe:7nlx, PDBj:7nlx
PDBsum7nlx
PubMed
UniProtP9WQ01|ARGB_MYCTU Acetylglutamate kinase (Gene Name=argB)

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