Structure of PDB 3l02 Chain A Binding Site BS01

Receptor Information
>3l02 Chain A (length=332) Species: 190485 (Xanthomonas campestris pv. campestris str. ATCC 33913) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKHFLNTQDWSRAELDALLTQAALFKRNKLGSELKGKSIALVFFNPSMRT
RTSFELGAFQLGGHAVVLQPGKDAWPIEFNLGTVMDGDTAEHIAEVARVL
GRYVDLIGVRAFPKFVDWSKDREDQVLKSFAKYSPVPVINMETITHPCQE
LAHALALQEHFGTPDLRGKKYVLTWTYHPKPLNTAVANSALTIATRMGMD
VTLLCPTPDYILDERYMDWAAQNVAESGGSLQVSHDIDSAYAGADVVYAK
SWGALPFFGNWEPEKPIRDQYQHFIVDERKMALTNNGVFSHCLPLRRNVK
ATDAVMDSPNCIAIDEAENRLHVQKAIMAALV
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 chain3l02 Chain A Residue 345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l02 A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F114 E144 H180 K252 C294 R298
Binding residue
(residue number reindexed from 1)		F112 E142 H178 K250 C292 R296
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R112 H148 Q151 K252 C294 R322
Catalytic site (residue number reindexed from 1) R110 H146 Q149 K250 C292 R320
Enzyme Commision number 2.1.3.9: N-acetylornithine 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
GO:0043857 N-acetylornithine 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
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:3l02, PDBe:3l02, PDBj:3l02
PDBsum3l02
PubMed17600144
UniProtQ8P8J2|AOTC_XANCP N-acetylornithine carbamoyltransferase (Gene Name=argF')

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