Structure of PDB 2d4h Chain A Binding Site BS01
Receptor Information
>2d4h Chain A (length=299) Species:
9606
(Homo sapiens) [
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IHMTGPMCLIENTNGRLMANPEALKILSAITQPMVVVAIVGLYRTGKSYL
MNKLAGKKKGFSLGSTVQKGIWMWCVPHPKKPGHILVLLDTEGLGDVENQ
NDSWIFALAVLLSSTFVYNSIGTINQQAMDQLYYVTELTHRIRSKSSPDE
SADFVSFFPDFVWTLRDFSLDLEADGQPLTPDEYLTYSLKLKKGTSQKDE
TFNLPRLCIRKFFPKKKCFVFDRPVHRRKLAQLEKLQDEELDPEFVQQVA
DFCSYIFSNSKTKTLSGGIQVNGPRLESLVLTYVNAISSGDLPCMENAV
Ligand information
Ligand ID
5GP
InChI
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
RQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
Software
SMILES
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
Formula
C10 H14 N5 O8 P
Name
GUANOSINE-5'-MONOPHOSPHATE
ChEMBL
CHEMBL283807
DrugBank
DB01972
ZINC
ZINC000002159505
PDB chain
2d4h Chain A Residue 593 [
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Receptor-Ligand Complex Structure
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PDB
2d4h
How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
R48 T49 G50 K51 S52 F65 S66 R183 D184 P241
Binding residue
(residue number reindexed from 1)
R44 T45 G46 K47 S48 F61 S62 R166 D167 P224
Annotation score
3
Enzymatic activity
Enzyme Commision number
3.6.1.-
3.6.5.-
Gene Ontology
Molecular Function
GO:0003924
GTPase activity
GO:0005525
GTP binding
View graph for
Molecular Function
External links
PDB
RCSB:2d4h
,
PDBe:2d4h
,
PDBj:2d4h
PDBsum
2d4h
PubMed
16511497
UniProt
P32455
|GBP1_HUMAN Guanylate-binding protein 1 (Gene Name=GBP1)
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