Structure of PDB 2qag Chain B Binding Site BS02

Receptor Information
>2qag Chain B (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPLAGHVFDPDQLVNKSVSGFCFNILCVGETGLGKSTLMDTLFNTKFTQP
GVQLQSNTYDLQEVRLKLTIVSTVGFGDINKEDSYKPIVEFIDAQFEAYL
QEEIRRVLHTYHDIHVCLYFIAPTGKSLDLVTMKKLDSKVNIIPIIAKAD
AISKSELTKFKIKITSELVSNGVQIYQFPVAEINGTMNAHPFAVIGNKMM
PWGTVQHCDFVKLREMLIRVNMEDLREQTHTRHYELYRRCKLEEMG
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain2qag Chain B Residue 428 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qag Structural insight into filament formation by mammalian septins.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		T51 G52 G54 K55 S56 T57 K185 D187
Binding residue
(residue number reindexed from 1)		T31 G32 G34 K35 S36 T37 K148 D150
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0060090 molecular adaptor activity
Biological Process
GO:0000281 mitotic cytokinesis
GO:0007283 spermatogenesis
GO:0008104 protein localization
GO:0030154 cell differentiation
GO:0051301 cell division
GO:0060271 cilium assembly
GO:0061640 cytoskeleton-dependent cytokinesis
Cellular Component
GO:0000775 chromosome, centromeric region
GO:0000776 kinetochore
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005819 spindle
GO:0005856 cytoskeleton
GO:0005940 septin ring
GO:0008021 synaptic vesicle
GO:0015630 microtubule cytoskeleton
GO:0030496 midbody
GO:0031105 septin complex
GO:0031514 motile cilium
GO:0032153 cell division site
GO:0032154 cleavage furrow
GO:0032173 septin collar
GO:0043679 axon terminus
GO:0097227 sperm annulus
GO:0098793 presynapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2qag, PDBe:2qag, PDBj:2qag
PDBsum2qag
PubMed17637674
UniProtQ14141|SEPT6_HUMAN Septin-6 (Gene Name=SEPTIN6)

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