Structure of PDB 7nny Chain B Binding Site BS03

Receptor Information
>7nny Chain B (length=297) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKNS
TRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVW
RTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGLR
LSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQD
TGASVTVTADAHAAAAGADVLVTDTWTRVKPFRPFQLNSRLLALADSDAI
VLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALLVWLLERS
Ligand information
Ligand ID1NP
InChIInChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKeyKJCVRFUGPWSIIH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2O
ACDLabs 10.04Oc2cccc1ccccc12
CACTVS 3.341Oc1cccc2ccccc12
FormulaC10 H8 O
Name1-NAPHTHOL;
naphthalen-1-ol
ChEMBLCHEMBL122617
DrugBank
ZINCZINC000004292977
PDB chain7nny Chain C Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nny A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Resolution1.57 Å
Binding residue
(original residue number in PDB)		T51 R52
Binding residue
(residue number reindexed from 1)		T51 R52
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R101 H128 Q131 D224 C264 R292
Catalytic site (residue number reindexed from 1) R101 H128 Q131 D224 C254 R282
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:7nny, PDBe:7nny, PDBj:7nny
PDBsum7nny
PubMed
UniProtP9WIT9|OTC_MYCTU Ornithine carbamoyltransferase (Gene Name=argF)

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