Structure of PDB 7nlw Chain A Binding Site BS01

Receptor Information
>7nlw 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]
IEALPTHIKAQVLAEALPWLKQLHGKVVVVKYGGNAMTDDTLRRAFAADM
AFLRNCGIHPVVVHGGGPQITAMLRRLGIEGDFKGGFRVTTPEVLDVARM
VLFGQVGRELVNLINAHGPYAVGITGEDAQLFTAVRRSVTVDGVATDIGL
VGDVDQVNTAAMLDLVAAGRIPVVSTLAPDADGVVHNINADTAAAAVAEA
LGAEKLLMLTDIDGLYTRWPDRDSLVSEIDTGTLAQLLPTLESGMVPKVE
ACLRAVIGGVPSAHIIDGRVTHCVLVELFTDAGTGTKVVR
Ligand information
Ligand IDUOK
InChIInChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
InChIKeyZBQCXEREMRGOCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c[nH]2)CC#N
CACTVS 3.385COc1ccc2[nH]cc(CC#N)c2c1
FormulaC11 H10 N2 O
Name2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
ChEMBLCHEMBL2377609
DrugBank
ZINCZINC000002389515
PDB chain7nlw 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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PDB7nlw A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Resolution2.32 Å
Binding residue
(original residue number in PDB)		V125 I127 L168 R173
Binding residue
(residue number reindexed from 1)		V122 I124 L165 R170
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:7nlw, PDBe:7nlw, PDBj:7nlw
PDBsum7nlw
PubMed
UniProtP9WQ01|ARGB_MYCTU Acetylglutamate kinase (Gene Name=argB)

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