Structure of PDB 1ep9 Chain A Binding Site BS01

Receptor Information
>1ep9 Chain A (length=320) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLKGRDLLTLKNFTGEEIKYMLWLSADLKFRIKQKGEYLPLLQGKSLGM
IFEKRSTRTRLSTETGFALLGGHPCFLTTQDIHLGVNESLTDTARVLSSM
ADAVLARVYKQSDLDTLAKEASIPIINGLSDLYHPIQILADYLTLQEHYS
SLKGLTLSWIGDGNNILHSIMMSAAKFGMHLQAATPKGYEPDASVTKLAE
QYAKENGTKLLLTNDPLEAAHGGNVLITDTWISMGREEEKKKRLQAFQGY
QVTMKTAKVAASDWTFLHCLPRKPEEVDDEVFYSPRSLVFPEAENRKWTI
MAVMVSLLTDYSPQLQKPKF
Ligand information
Ligand IDCP
InChIInChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKeyFFQKYPRQEYGKAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(=O)(N)OP(=O)(O)O
FormulaC H4 N O5 P
NamePHOSPHORIC ACID MONO(FORMAMIDE)ESTER
ChEMBLCHEMBL369105
DrugBank
ZINCZINC000008383183
PDB chain1ep9 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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PDB1ep9 Human ornithine transcarbamylase: crystallographic insights into substrate recognition and conformational changes.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S90 T91 R92 T93 R141 H168 C303 L304 R330
Binding residue
(residue number reindexed from 1)		S56 T57 R58 T59 R107 H134 C269 L270 R296
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: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:1ep9, PDBe:1ep9, PDBj:1ep9
PDBsum1ep9
PubMed11237854
UniProtP00480|OTC_HUMAN Ornithine transcarbamylase, mitochondrial (Gene Name=OTC)

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