Structure of PDB 2btq Chain A Binding Site BS01

Receptor Information
>2btq Chain A (length=436) Species: 48465 (Prosthecobacter dejongeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVNNTIVVSIGQAGNQIAASFWKTVCLEHGIDPLTGQTAPGVAPRGNWSS
FFSKLGESSSGSYVPRAIMVDLEPSVIDNVKATSGSLFNPANLISRTEGA
GGNFAVGYLGAGREVLPEVMSRLDYEIDKCDNVGGIIVLHAIGGGTGSGF
GALLIESLKEKYGEIPVLSCAVLPSPQVSSVVTEPYNTVFALNTLRRSAD
ACLIFDNEALFDLAHRKWNIESPTVDDLNLLITEALAGITASMRFSGFLT
VEISLRELLTNLVPQPSLHFLMCAFAPLTPPDELGIEEMIKSLFDNGSVF
AACSPMEGRFLSTAVLYRGIMEDKPLADAALAAMREKLPLTYWIPTAFKI
GYVEQPGISHRKSMVLLANNTEIARVLDRICHNFDKLWQRKAFANWYLNE
GMSEEQINVLRASAQELVQSYQVAEESGAKAKVQDS
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 chain2btq Chain A Residue 1443 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2btq Structure of Bacterial Tubulin Btuba/B: Evidence for Horizontal Gene Transfer.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Q13 A14 A142 G144 G145 T147 G148 P175 V179 N208 N230
Binding residue
(residue number reindexed from 1)		Q12 A13 A141 G143 G144 T146 G147 P174 V178 N207 N229
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
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:2btq, PDBe:2btq, PDBj:2btq
PDBsum2btq
PubMed15967998
UniProtQ8GCC5

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