Structure of PDB 1ce8 Chain B Binding Site BS01

Receptor Information
>1ce8 Chain B (length=379) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKSALLVLEDGTQFHGRAIGATGSAVGEVVFNTSMTGYQEILTDPSYSRQ
IVTLTYPHIGNVGTNDADEESSQVHAQGLVIRDLPLIASNFRNTEDLSSY
LKRHNIVAIADIDTRKLTRLLREKGAQNGCIIAGDNPDAALALEKARAFP
GLNGMDLAKEVTTAEAYSWTQGSWTLTGGLPQAKKEDELPFHVVAYDFGA
KRNILRMLVDRGCRLTIVPAQTSAEDVLKMNPDGIFLSNGPGDPAPCDYA
ITAIQKFLETDIPVFGICLGHQLLALASGAKTVKMKFGHHGGNHPVKDVE
KNVVMITAQNHGFAVDEATLPANLRVTHKSLFDGTLQGIHRTDKPAFSFQ
GHPEASPGPHDAAPLFDHFIELIEQYRKT
Ligand information
Ligand IDORN
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(O)=O
CACTVS 3.370NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameL-ornithine
ChEMBLCHEMBL446143
DrugBankDB00129
ZINCZINC000001532530
PDB chain1ce8 Chain A Residue 5014 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ce8 The binding of inosine monophosphate to Escherichia coli carbamoyl phosphate synthetase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R120 R123
Binding residue
(residue number reindexed from 1)		R119 R122
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) C269 H353 E355
Catalytic site (residue number reindexed from 1) C268 H352 E354
Enzyme Commision number 6.3.5.5: carbamoyl-phosphate synthase (glutamine-hydrolyzing).
Gene Ontology
Molecular Function
GO:0004088 carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
GO:0004359 glutaminase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046982 protein heterodimerization activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006526 L-arginine biosynthetic process
GO:0006541 glutamine metabolic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005951 carbamoyl-phosphate synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ce8, PDBe:1ce8, PDBj:1ce8
PDBsum1ce8
PubMed10428826
UniProtP0A6F1|CARA_ECOLI Carbamoyl phosphate synthase small chain (Gene Name=carA)

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