Structure of PDB 3kzk Chain A Binding Site BS01

Receptor Information
>3kzk Chain A (length=334) 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
RTSFELGAFQLGGHAVVLQPGKDAWPIEFNLGTVMDGDTEEHIAEVARVL
GRYVDLIGVRAFPKFVDWSKDREDQVLKSFAKYSPVPVINMETITHPCQE
LAHALALQEHFGTPDLRGKKYVLTWTYHPKPLNTAVANSALTIATRMGMD
VTLLCPTPDYILDERYMDWAAQNVAESGGSLQVSHDIDSAYAGADVVYAK
SWGALPFFGNWEPEKPIRDQYQHFIVDERKMALTNNGVFSHCLPLRRNVK
ATDAVMDSPNCIAIDEAENRLHVQKAIMAALVGQ
Ligand information
Ligand IDOLN
InChIInChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1
InChIKeyWMQMIOYQXNRROC-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CCCNC(=O)N)C(=O)O
ACDLabs 10.04O=C(O)C(NC(=O)C)CCCNC(=O)N
CACTVS 3.341CC(=O)N[CH](CCCNC(N)=O)C(O)=O
CACTVS 3.341CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O
FormulaC8 H15 N3 O4
Name(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID;
N-ACETYL-L-CITRULLINE
ChEMBL
DrugBankDB02368
ZINCZINC000012494450
PDB chain3kzk 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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PDB3kzk Crystal structure of N-acetylornithine transcarbamylase from Xanthomonas campestris: a novel enzyme in a new arginine biosynthetic pathway found in several eubacteria.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R112 E144 H148 Q151 K252 C294 L295 R322
Binding residue
(residue number reindexed from 1)		R110 E142 H146 Q149 K250 C292 L293 R320
Annotation score3
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:3kzk, PDBe:3kzk, PDBj:3kzk
PDBsum3kzk
PubMed15731101
UniProtQ8P8J2|AOTC_XANCP N-acetylornithine carbamoyltransferase (Gene Name=argF')

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