Structure of PDB 5jcb Chain D Binding Site BS02

Receptor Information

>5jcb Chain D (length=418) Species: 9823 (Sus scrofa)

MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPLADLRKL
AVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRYLTV
AAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKM
SATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAES
NMNDLVSEYQQYQDATAD

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5jcb Chain D Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5jcb Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4 beta-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): V238 T240 C241 I318
• Binding residue (residue number reindexed from 1): V236 T238 C239 I303
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003924 GTPase activity
• GO:0005200 structural constituent of cytoskeleton
• GO:0005515 protein binding
• GO:0005525 GTP binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000226 microtubule cytoskeleton organization
• GO:0000278 mitotic cell cycle
• GO:0007017 microtubule-based process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005856 cytoskeleton
• GO:0005874 microtubule

External links

• PDB: RCSB:5jcb, PDBe:5jcb, PDBj:5jcb
• PDBsum: 5jcb
• PubMed: 28035796
• UniProt: P02554|TBB_PIG Tubulin beta chain