Structure of PDB 8yua Chain D Binding Site BS02

Receptor Information

>8yua Chain D (length=418) Species: 9823 (Sus scrofa)

MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQGNNWAK
GHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLIS
KIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCID
NEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKL
AVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRYLTV
AAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKM
SATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAES
NMNDLVSEYQQYQDATAD

Ligand information

• Ligand ID: A1D69
• InChI: InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)13-12-11(7-8-20-12)16-14(15)17-13/h3-8H,1-2H3
• InChIKey: HORXFYJUOOLKSX-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CN(c1ccc(cc1)OC)c2c3c(ccs3)nc(n2)Cl
  CACTVS 3.385: COc1ccc(cc1)N(C)c2nc(Cl)nc3ccsc23
• Formula: C14 H12 Cl N3 O S
• Name: 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine
• PDB chain: 8yua Chain D Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8yua The complex structure of tubulin-RB3-TTL in complex with compound SI10
• Resolution: 2.37 Å
• Binding residue (original residue number in PDB): L240 A248 K252 L253 N256 A314 N348 K350 A352
• Binding residue (residue number reindexed from 1): L237 A245 K249 L250 N253 A301 N335 K337 A339
• Annotation score: 1

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

External links

• PDB: RCSB:8yua, PDBe:8yua, PDBj:8yua
• PDBsum: 8yua
• UniProt: A0A8D0VN39