Structure of PDB 2fg7 Chain Z Binding Site BS01

Receptor Information
>2fg7 Chain Z (length=320) Species: 272559 (Bacteroides fragilis NCTC 9343) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMKKFTCVQDIGDLKSALAESFEIKKDRFKYVELGRNKTLLMIFFNSSL
RTRLSTQKAALNLGMNVIVLDINQGAWKLETERGVIMDGDKPEHLLEAIP
VMGCYCDIIGVRSFARFENREYDYNEVIINQFIQHSGRPVFSMEAATRHP
LQSFADLITIEEYKKTARPKVVMTWAPHPRPLPQAVPNSFAEWMNATDYE
FVITHPEGYELDPKFVGNARVEYDQMKAFEGADFIYAKNWAAYLGDNYGQ
ILSTDRNWTVGDRQMAVTNNAYFMHCLPVRRNMIVTDDVIESPQSIVIPE
AANREISATVVLKRLLENLP
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 chain2fg7 Chain X Residue 345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fg7 Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		W75 P90
Binding residue
(residue number reindexed from 1)		W77 P92
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K236
Catalytic site (residue number reindexed from 1) K238
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:2fg7, PDBe:2fg7, PDBj:2fg7
PDBsum2fg7
PubMed16704984
UniProtQ5LI27

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