Structure of PDB 8ytx Chain D Binding Site BS02

Receptor Information

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

MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQGNNWAK
GHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLIS
KIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCID
NEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKL
AVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRYLTV
AAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKM
SATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAES
NMNDLVSEYQQYQDATAD

Ligand information

• Ligand ID: A1D68
• InChI: InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)12-11-7-8-20-13(11)17-14(15)16-12/h3-8H,1-2H3
• InChIKey: MKRYUWBRVWYRBJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: COc1ccc(cc1)N(C)c2nc(Cl)nc3sccc23
  OpenEye OEToolkits 2.0.7: CN(c1ccc(cc1)OC)c2c3ccsc3nc(n2)Cl
• Formula: C14 H12 Cl N3 O S
• Name: 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine
• PDB chain: 8ytx Chain D Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ytx Tubulin-RB3-TTL in complex with compound SI9
• Resolution: 2.53 Å
• Binding residue (original residue number in PDB): C239 A248 K252 L253 N256 A315 K350 A352
• Binding residue (residue number reindexed from 1): C236 A245 K249 L250 N253 A302 K337 A339
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.2.25: tubulin--tyrosine ligase.

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:8ytx, PDBe:8ytx, PDBj:8ytx
• PDBsum: 8ytx
• UniProt: A0A8D0VN39