Structure of PDB 7nn4 Chain B Binding Site BS02

Receptor Information
>7nn4 Chain B (length=391) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTATMRQRWQAVMMNNYGTPPIALASGDGAVVTDVDGRTYIDLLGGIAVN
VLGHRHPAVIEAVTRQMSTLGHTSNLYATEPGIALAEELVALLGADQRTR
VFFCNSGAEANEAAFKLSRLTGRTKLVAAHDAFHGRTMGSLALTGQPAKQ
TPFAPLPGDVTHVGYGDVDALAAAVDDHTAAVFLEPIMGESGVVVPPAGY
LAAARDITARRGALLVLDEVQTGMGRTGAFFAHQHDGITPDVVTLAKGLG
GGLPIGACLAVGPAAELLTPGLHGSTFGGNPVCAAAALAVLRVLASDGLV
RRAEVLGKSLRHGIEALGHPLIDHVRGRGLLLGIALTAPHAKDAEATARD
AGYLVNAAAPDVIRLAPPLIIAEAQLDGFVAALPAILDRAV
Ligand information
Ligand IDBZJ
InChIInChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKeyALKYHXVLJMQRLQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2cc(c(cc2c1)C(=O)O)O
ACDLabs 12.01C(c1c(cc2c(c1)cccc2)O)(O)=O
CACTVS 3.385OC(=O)c1cc2ccccc2cc1O
FormulaC11 H8 O3
Name3-hydroxynaphthalene-2-carboxylic acid
ChEMBLCHEMBL229301
DrugBank
ZINCZINC000000037857
PDB chain7nn4 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nn4 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Resolution1.47 Å
Binding residue
(original residue number in PDB)		Y23 R142
Binding residue
(residue number reindexed from 1)		Y17 R136
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F139 D224 K253
Catalytic site (residue number reindexed from 1) F133 D218 K247
Enzyme Commision number 2.6.1.11: acetylornithine transaminase.
Gene Ontology
Molecular Function
GO:0003992 N2-acetyl-L-ornithine:2-oxoglutarate 5-aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0006525 arginine metabolic process
GO:0006526 L-arginine biosynthetic process
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:7nn4, PDBe:7nn4, PDBj:7nn4
PDBsum7nn4
PubMed
UniProtP9WPZ7|ARGD_MYCTU Acetylornithine aminotransferase (Gene Name=argD)

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