Structure of PDB 2ht6 Chain B Binding Site BS01

Receptor Information
>2ht6 Chain B (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYYRVVLIGEQGVGKSTLANIFAGVHSDCEVLGEDTYERTLMVDGESATI
ILLDMWENKENEWLHDHCMQVGDAYLIVYSITDRASFEKASELRIQLRRA
RQTEDIPIILVGNKSDLVRCREVSVSEGRACAVVFDCKFIETSAAVQHNV
KELFEGIVRQVRLRR
Ligand information
Ligand IDGDP
InChIInChI=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
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=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 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(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
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain2ht6 Chain B Residue 645 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB2ht6 Structure-function studies of the G-domain from human gem, a novel small G-protein.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G85 G87 K88 S89 T90 N191 K192 D194 L195 S221 A222 A223
Binding residue
(residue number reindexed from 1)		G12 G14 K15 S16 T17 N113 K114 D116 L117 S143 A144 A145
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:2ht6, PDBe:2ht6, PDBj:2ht6
PDBsum2ht6
PubMed17052716
UniProtP55040|GEM_HUMAN GTP-binding protein GEM (Gene Name=GEM)

[Back to BioLiP]