Structure of PDB 7np0 Chain F Binding Site BS02

Receptor Information
>7np0 Chain F (length=300) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKN
STRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIV
WRTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGL
RLSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQ
DTGASVTVTADAHAAAAGADVLVTDTWTLDRVKPFRPFQLNSRLLALADS
DAIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALLVWLLERS
Ligand information
Ligand IDUKH
InChIInChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
InChIKeyNSFJAFZHYOAMHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OB(O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.7B(c1ccc(cc1)[N+](=O)[O-])(O)O
FormulaC6 H6 B N O4
Namep-nitrophenylboronic acid;
(4-nitrophenyl)boronic acid
ChEMBLCHEMBL91108
DrugBank
ZINCZINC000169743514
PDB chain7np0 Chain E Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7np0 A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Resolution1.76 Å
Binding residue
(original residue number in PDB)		E82 V90 Y94
Binding residue
(residue number reindexed from 1)		E83 V91 Y95
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R101 H128 Q131 D224 C264 R292
Catalytic site (residue number reindexed from 1) R102 H129 Q132 D225 C257 R285
Enzyme Commision number 2.1.3.3: ornithine carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004585 ornithine carbamoyltransferase activity
GO:0016597 amino acid binding
GO:0016740 transferase activity
GO:0016743 carboxyl- or carbamoyltransferase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0006591 ornithine metabolic process
GO:0019240 citrulline biosynthetic process
GO:0042450 arginine biosynthetic process via ornithine
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:7np0, PDBe:7np0, PDBj:7np0
PDBsum7np0
PubMed
UniProtP9WIT9|OTC_MYCTU Ornithine carbamoyltransferase (Gene Name=argF)

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