Structure of PDB 1c9y Chain A Binding Site BS01

Receptor Information
>1c9y Chain A (length=321) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVQLKGRDLLTLKNFTGEEIKYMLWLSADLKFRIKQKGEYLPLLQGKSLG
MIFEKRSTRTRLSTETGFALLGGHPCFLTTQDIHLGVNESLTDTARVLSS
MADAVLARVYKQSDLDTLAKEASIPIINGLSDLYHPIQILADYLTLQEHY
SSLKGLTLSWIGDGNNILHSIMMSAAKFGMHLQAATPKGYEPDASVTKLA
EQYAKENGTKLLLTNDPLEAAHGGNVLITDTWISMGREEEKKKRLQAFQG
YQVTMKTAKVAASDWTFLHCLPRKPEEVDDEVFYSPRSLVFPEAENRKWT
IMAVMVSLLTDYSPQLQKPKF
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 chain1c9y Chain A Residue 355 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c9y Crystal structure of human ornithine transcarbamylase complexed with carbamoyl phosphate and L-norvaline at 1.9 A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L163 N199 D263 S267 M268
Binding residue
(residue number reindexed from 1)		L130 N166 D230 S234 M235
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) R59 T60 V87 R108 H135 Q138 D230 C270 R297
Enzyme Commision number 2.1.3.3: ornithine carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004585 ornithine carbamoyltransferase activity
GO:0005543 phospholipid binding
GO:0016597 amino acid binding
GO:0016740 transferase activity
GO:0016743 carboxyl- or carbamoyltransferase activity
GO:0042301 phosphate ion binding
GO:0042802 identical protein binding
Biological Process
GO:0000050 urea cycle
GO:0001889 liver development
GO:0006520 amino acid metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0006591 ornithine metabolic process
GO:0006593 ornithine catabolic process
GO:0007494 midgut development
GO:0009410 response to xenobiotic stimulus
GO:0010043 response to zinc ion
GO:0019240 citrulline biosynthetic process
GO:0031667 response to nutrient levels
GO:0032868 response to insulin
GO:0042450 arginine biosynthetic process via ornithine
GO:0055081 monoatomic anion homeostasis
GO:0070781 response to biotin
GO:0097272 ammonium homeostasis
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:1c9y, PDBe:1c9y, PDBj:1c9y
PDBsum1c9y
PubMed10813810
UniProtP00480|OTC_HUMAN Ornithine transcarbamylase, mitochondrial (Gene Name=OTC)

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