Structure of PDB 4p9d Chain E Binding Site BS03
Receptor Information
>4p9d Chain E (length=135) Species:
1137745
(Cyanophage S-TIM5) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
MKPEIKEAYMKTAELFSQVSNCKRMKVGAIVVKNGSILAHGWNGTPSGFH
TNCCELEDGSTNPFVLHAEQNALVKMAKSSESIDGSELFCTHSPCPDCSK
MIAQAGVKKVYYRNEYRITDGIDVLQQLGVEVEKM
Ligand information
Ligand ID
TMP
InChI
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
GYOZYWVXFNDGLU-XLPZGREQSA-N
SMILES
Software
SMILES
CACTVS 3.341
CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04
O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
Formula
C10 H15 N2 O8 P
Name
THYMIDINE-5'-PHOSPHATE
ChEMBL
CHEMBL394429
DrugBank
DB01643
ZINC
ZINC000001678872
PDB chain
4p9d Chain E Residue 204 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
4p9d
The First Crystal Structure of a dTTP-bound Deoxycytidylate Deaminase Validates and Details the Allosteric-Inhibitor Binding Site.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
V27 N43 T61 H67 Y116
Binding residue
(residue number reindexed from 1)
V27 N43 T61 H67 Y116
Annotation score
3
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0003824
catalytic activity
GO:0004132
dCMP deaminase activity
GO:0008270
zinc ion binding
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
Biological Process
GO:0006220
pyrimidine nucleotide metabolic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:4p9d
,
PDBe:4p9d
,
PDBj:4p9d
PDBsum
4p9d
PubMed
25404739
UniProt
H6WFU3
[
Back to BioLiP
]