Structure of PDB 1bhn Chain D Binding Site BS02
Receptor Information
>1bhn Chain D (length=151) Species:
9913
(Bos taurus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
ANSERTFIAIKPDGVQRGLIGEIIKRFEQKGFRLVAMKFMRASEDLLKEH
YIDLKDRPFFAGLVKYMHSGPVVAMVWEGLNVVKTGRVMLGETNPADSKP
GTIRGDFCIQVGRNIIHGSDSVESAEKEIALWFHPEELVNYKSCAQNWIY
E
Ligand information
Ligand ID
GDP
InChI
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
QGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Formula
C10 H15 N5 O11 P2
Name
GUANOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL384759
DrugBank
DB04315
ZINC
ZINC000008215481
PDB chain
1bhn Chain D Residue 161 [
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
1bhn
The three-dimensional structures of two isoforms of nucleoside diphosphate kinase from bovine retina.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
L55 F60 L64 R88 T94 V112
Binding residue
(residue number reindexed from 1)
L54 F59 L63 R87 T93 V111
Annotation score
3
Enzymatic activity
Catalytic site (original residue number in PDB)
K12 Y52 N115 H118 E129
Catalytic site (residue number reindexed from 1)
K11 Y51 N114 H117 E128
Enzyme Commision number
2.7.4.6
: nucleoside-diphosphate kinase.
Gene Ontology
Molecular Function
GO:0004550
nucleoside diphosphate kinase activity
GO:0005524
ATP binding
GO:0016301
kinase activity
GO:0046872
metal ion binding
Biological Process
GO:0006183
GTP biosynthetic process
GO:0006228
UTP biosynthetic process
GO:0006241
CTP biosynthetic process
GO:0006897
endocytosis
GO:0007399
nervous system development
GO:0009117
nucleotide metabolic process
GO:0016310
phosphorylation
GO:0030154
cell differentiation
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005886
plasma membrane
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1bhn
,
PDBe:1bhn
,
PDBj:1bhn
PDBsum
1bhn
PubMed
10329774
UniProt
P52174
|NDKA1_BOVIN Nucleoside diphosphate kinase A 1 (Gene Name=NME1-1)
[
Back to BioLiP
]