Structure of PDB 8yua Chain D Binding Site BS01

Receptor Information
>8yua Chain D (length=418) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQGNNWAK
GHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLIS
KIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCID
NEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKL
AVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRYLTV
AAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKM
SATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAES
NMNDLVSEYQQYQDATAD
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 chain8yua Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8yua The complex structure of tubulin-RB3-TTL in complex with compound SI10
Resolution2.37 Å
Binding residue
(original residue number in PDB)		G10 Q11 C12 S138 G140 G141 T143 V169 S176 E181 N204 Y222 N226
Binding residue
(residue number reindexed from 1)		G10 Q11 C12 S135 G137 G138 T140 V166 S173 E178 N201 Y219 N223
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0007010 cytoskeleton organization
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8yua, PDBe:8yua, PDBj:8yua
PDBsum8yua
PubMed
UniProtA0A8D0VN39

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