Structure of PDB 2uvq Chain A Binding Site BS01
Receptor Information
>2uvq Chain A (length=211) Species:
9606
(Homo sapiens) [
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RPFLIGVSGGTASGKSTVCEKIMELLGQNEVEQRQRKVVILSQDRFYKVL
TAEQKAKALKGQYNFDHPDAFDNDLMHRTLKNIVEGKTVEVPTYDFVTHS
RLPETTVVYPADVVLFEGILVFYSQEIRDMFHLRLFVDTDSDVRLSRRVL
RDVRDLEQILTQYTTFVKPAFEEFCLPTKKYADVIIPRGVDNMVAINLIV
QHIQDILNGDI
Ligand information
Ligand ID
ADP
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
2uvq Chain A Residue 1236 [
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Receptor-Ligand Complex Structure
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PDB
2uvq
Structure of Human Uridine-Cytidine Kinase 1
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
T32 A33 S34 G35 K36 S37 T38 R168 R172 V214 D215
Binding residue
(residue number reindexed from 1)
T11 A12 S13 G14 K15 S16 T17 R147 R151 V190 D191
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.7.1.48
: uridine/cytidine kinase.
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0016301
kinase activity
View graph for
Molecular Function
External links
PDB
RCSB:2uvq
,
PDBe:2uvq
,
PDBj:2uvq
PDBsum
2uvq
PubMed
UniProt
Q9HA47
|UCK1_HUMAN Uridine-cytidine kinase 1 (Gene Name=UCK1)
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