Structure of PDB 1mq0 Chain A Binding Site BS02

Receptor Information
>1mq0 Chain A (length=130) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECVQQLLVCSQEAKQSAYCPYSHFPVGAALLTQEGRIFKGCNIENACYPL
GICAERTAIQKAVSEGYKDFRAIAIASDMQDDFISPCGACRQVMREFGTN
WPVYMTKPDGTYIVMTVQELLPSSFGPEDL
Ligand information
Ligand IDBRD
InChIInChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
InChIKeyMEPCJRCEYSZBDO-FNCVBFRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04O=C1NC=CC=CN1C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CNC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=CNC2=O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=CNC2=O
FormulaC10 H14 N2 O5
Name1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
ChEMBL
DrugBankDB03185
ZINCZINC000033821233
PDB chain1mq0 Chain A Residue 148 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mq0 Structure of human cytidine deaminase bound to a potent inhibitor
Resolution2.4 Å
Binding residue
(original residue number in PDB)		V38 N54 E56 C65 E67
Binding residue
(residue number reindexed from 1)		V26 N42 E44 C53 E55
Annotation score2
Enzymatic activity
Enzyme Commision number 3.5.4.5: cytidine deaminase.
Gene Ontology
Molecular Function
GO:0001882 nucleoside binding
GO:0003824 catalytic activity
GO:0004126 cytidine deaminase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0007166 cell surface receptor signaling pathway
GO:0008655 pyrimidine-containing compound salvage
GO:0009972 cytidine deamination
GO:0019858 cytosine metabolic process
GO:0030308 negative regulation of cell growth
GO:0044206 UMP salvage
GO:0045980 negative regulation of nucleotide metabolic process
GO:0046898 response to cycloheximide
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0071217 cellular response to external biotic stimulus
GO:0072527 pyrimidine-containing compound metabolic process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0034774 secretory granule lumen
GO:1904724 tertiary granule lumen
GO:1904813 ficolin-1-rich granule lumen

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1mq0, PDBe:1mq0, PDBj:1mq0
PDBsum1mq0
PubMed15689149
UniProtP32320|CDD_HUMAN Cytidine deaminase (Gene Name=CDA)

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