Structure of PDB 1fb5 Chain A Binding Site BS01

Receptor Information
>1fb5 Chain A (length=320) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLKGRDLLTLKNFTGEEIKYMLWLSADLKFRIKQKGEYLPLLQGKSLGM
IFEKRSTRTRLSTETGFALLGGHPCFLTTQDIHLGVNESLTDTARVLSSM
ADAVLARVYKQSDLETLAKEASIPVINGLSDLYHPIQILADYLTLQEHYS
SLKGLTLSWIGDGNNILHSIMMSAAKFGMHLQAATPKGYEPDASVTKLAE
QYAKENGTKLLLTNDPLEAAHGGNVLITDTWISMGREEEKKKRLQAFQGY
QVNSKTAKVAASAWTFLHCLPRKPEEVDDDVFYSPRSLVFPEAENRKWTI
MAVMVSLLTDYSPQLQKPKF
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 chain1fb5 Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fb5 Functional and structural characterization of ovine ornithine transcarbamoylase.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S133 M134
Binding residue
(residue number reindexed from 1)		S99 M100
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R92 T93 V120 R141 H168 Q171 D263 C303 R330
Catalytic site (residue number reindexed from 1) R58 T59 V86 R107 H134 Q137 D229 C269 R296
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:0000050 urea cycle
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:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fb5, PDBe:1fb5, PDBj:1fb5
PDBsum1fb5
PubMed14527149
UniProtP84010|OTC_SHEEP Ornithine transcarbamylase, mitochondrial (Gene Name=OTC)

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