Structure of PDB 4yih Chain B Binding Site BS01
Receptor Information
>4yih Chain B (length=187) Species:
9606
(Homo sapiens) [
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SVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRAL
RPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLL
KYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQE
ETPSWEHILFTCCHNRHLRRRLLSWSDNWREILDSKR
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
4yih Chain B Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
4yih
Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Resolution
1.82 Å
Binding residue
(original residue number in PDB)
D10 D12 D145
Binding residue
(residue number reindexed from 1)
D7 D9 D142
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D10 D12 D145
Catalytic site (residue number reindexed from 1)
D7 D9 D142
Enzyme Commision number
3.1.3.-
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0008252
nucleotidase activity
GO:0008253
5'-nucleotidase activity
GO:0016787
hydrolase activity
GO:0016791
phosphatase activity
GO:0019103
pyrimidine nucleotide binding
GO:0042802
identical protein binding
GO:0046872
metal ion binding
GO:0050483
IMP 5'-nucleotidase activity
Biological Process
GO:0000255
allantoin metabolic process
GO:0006204
IMP catabolic process
GO:0006249
dCMP catabolic process
GO:0009117
nucleotide metabolic process
GO:0009223
pyrimidine deoxyribonucleotide catabolic process
GO:0009264
deoxyribonucleotide catabolic process
GO:0016311
dephosphorylation
GO:0043605
amide catabolic process
GO:0046050
UMP catabolic process
GO:0046055
dGMP catabolic process
GO:0046074
dTMP catabolic process
GO:0046079
dUMP catabolic process
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005829
cytosol
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4yih
,
PDBe:4yih
,
PDBj:4yih
PDBsum
4yih
PubMed
UniProt
Q8TCD5
|NT5C_HUMAN 5'(3')-deoxyribonucleotidase, cytosolic type (Gene Name=NT5C)
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