Structure of PDB 2fg6 Chain C Binding Site BS02

Receptor Information
>2fg6 Chain C (length=321) Species: 272559 (Bacteroides fragilis NCTC 9343) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMKKFTCVQDIGDLKSALAESFEIKKDRFKYVELGRNKTLLMIFFNSS
LRTRLSTQKAALNLGMNVIVLDINQGAWKLETERGVIMDGDKPEHLLEAI
PVMGCYCDIIGVRSFARFENREYDYNEVIINQFIQHSGRPVFSMEAATRH
PLQSFADLITIEEYKKTARPKVVMTWAPHPRPLPQAVPNSFAEWMNATDY
EFVITHPEGYELDPKFVGNARVEYDQMKAFEGADFIYAKNWAAYLGDNYG
QILSTDRNWTVGDRQMAVTNNAYFMHCLPVRRNMIVTDDVIESPQSIVIP
EAANREISATVVLKRLLENLP
Ligand information
Ligand IDSN0
InChIInChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyHRAPDLBXHOBAKA-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)NC(=O)CCC(=O)O
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O
ACDLabs 10.04O=C(NC(C(=O)O)CCC)CCC(=O)O
CACTVS 3.341CCC[CH](NC(=O)CCC(O)=O)C(O)=O
FormulaC9 H15 N O5
NameN-(3-CARBOXYPROPANOYL)-L-NORVALINE
ChEMBL
DrugBankDB08554
ZINC
PDB chain2fg6 Chain C Residue 351 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fg6 Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F112 E142 H176 R178 L180 P181 K236 R278
Binding residue
(residue number reindexed from 1)		F115 E145 H179 R181 L183 P184 K239 R281
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R110 H147 Q150 K236 C274 R302
Catalytic site (residue number reindexed from 1) R113 H150 Q153 K239 C277 R305
Enzyme Commision number 2.1.3.11: N-succinylornithine 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:0019240 citrulline biosynthetic process
GO:0042450 arginine biosynthetic process via ornithine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2fg6, PDBe:2fg6, PDBj:2fg6
PDBsum2fg6
PubMed16704984
UniProtQ5LI27

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