Structure of PDB 2i6u Chain A Binding Site BS02

Receptor Information
>2i6u Chain A (length=307) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKNS
TRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVW
RTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGLR
LSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQD
TGASVTVTADAHAAAAGADVLVTDTWTSMGQENDGLDRVKPFRPFQLNSR
LLALADSDAIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALL
VWLLERS
Ligand information
Ligand IDNVA
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeySNDPXSYFESPGGJ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC[CH](N)C(O)=O
CACTVS 3.341CCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCC
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)N
FormulaC5 H11 N O2
NameNORVALINE
ChEMBLCHEMBL55612
DrugBankDB04185
ZINCZINC000000391821
PDB chain2i6u Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2i6u The crystal structures of ornithine carbamoyltransferase from Mycobacterium tuberculosis and its ternary complex with carbamoyl phosphate and L-norvaline reveal the enzyme's catalytic mechanism
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L123 N160 D224 S228 M229
Binding residue
(residue number reindexed from 1)		L123 N160 D224 S228 M229
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R52 T53 R80 R101 H128 Q131 D224 C264 R292
Catalytic site (residue number reindexed from 1) R52 T53 R80 R101 H128 Q131 D224 C264 R292
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2i6u, PDBe:2i6u, PDBj:2i6u
PDBsum2i6u
PubMed18062991
UniProtP9WIT9|OTC_MYCTU Ornithine carbamoyltransferase (Gene Name=argF)

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