Structure of PDB 7vmg Chain B Binding Site BS02

Receptor Information
>7vmg Chain B (length=424) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYY
NEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNW
AKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLL
ISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYC
IDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLR
KLAVNMVPFPRLHFFMPGFAPLTSRQYRALTVPELTQQMFDSKNMMAACD
PRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVC
DIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMD
EMEFTEAESNMNDLVSEYQQYQDA
Ligand information
Ligand ID7PB
InChIInChI=1S/C21H21N5O2/c1-28-18-7-3-6-17(11-18)25-20-12-19(22-13-23-20)24-15-4-2-5-16(10-15)26-21(27)14-8-9-14/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyRYKGVPOTSJYVHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1
OpenEye OEToolkits 2.0.7COc1cccc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4
FormulaC21 H21 N5 O2
NameN-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
ChEMBL
DrugBank
ZINC
PDB chain7vmg Chain B Residue 505 [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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PDB7vmg Crystal structure of tubulin with 17a
Resolution2.39 Å
Binding residue
(original residue number in PDB)		Y200 V236 L240 D249 L250 K252 L253 N256 M257 A314 K350
Binding residue
(residue number reindexed from 1)		Y199 V235 L239 D248 L249 K251 L252 N255 M256 A310 K346
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
GO:0007399 nervous system development
GO:1902669 positive regulation of axon guidance
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0015630 microtubule cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7vmg, PDBe:7vmg, PDBj:7vmg
PDBsum7vmg
PubMed
UniProtQ6B856|TBB2B_BOVIN Tubulin beta-2B chain (Gene Name=TUBB2B)

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