Structure of PDB 4eg2 Chain B Binding Site BS03

Receptor Information
>4eg2 Chain B (length=297) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMRNRIEQALQQMPASFAPYLRELVLAKDFDATFSAEQYQQLLTLSGLE
DADLRVALLPIAAAYSYAPISEFYVGAIVRGISGRLYLGANMEFTGAQLG
QTVHAEQCAISHAWMKGEKGVADITINFSPCGHCRQFMNELTTASSLKIQ
LPKRAAKTLQEYLPESFGPADLGIDSGLMSPVNHGKTSDDDEELIQQALR
AMNISHSPYTQNFSGVALKMRSGAIYLGAYAENAAFNPSLPPLQVALAQA
MMMGESFEDIEAAALVESATGKISHLADTQATLEVINPDIPLSYLSL
Ligand information
Ligand IDURI
InChIInChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKeyDRTQHJPVMGBUCF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H12 N2 O6
NameURIDINE
ChEMBLCHEMBL100259
DrugBankDB02745
ZINCZINC000002583633
PDB chain4eg2 Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eg2 2.2 Angstrom Crystal Structure of Cytidine deaminase from Vibrio cholerae in Complex with Zinc and Uridine.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V73 N89 E91 H102 E104 P128 C129
Binding residue
(residue number reindexed from 1)		V75 N91 E93 H104 E106 P130 C131
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H102 E104 C129 C132
Catalytic site (residue number reindexed from 1) H104 E106 C131 C134
Enzyme Commision number 3.5.4.5: cytidine deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004126 cytidine deaminase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0009972 cytidine deamination
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0072527 pyrimidine-containing compound metabolic process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4eg2, PDBe:4eg2, PDBj:4eg2
PDBsum4eg2
PubMed
UniProtQ9KSM5|CDD_VIBCH Cytidine deaminase (Gene Name=cdd)

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