Structure of PDB 6k9v Chain A Binding Site BS02

Receptor Information

>6k9v Chain A (length=437) Species: 9913 (Bos taurus)

MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN
TFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFT
SLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNV
DLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGV

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: 6k9v Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k9v Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
• Resolution: 2.543 Å
• Binding residue (original residue number in PDB): D39 T41 G44 E55
• Binding residue (residue number reindexed from 1): D39 T41 G44 E55
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.5.-

Gene Ontology

Molecular Function

• GO:0003924 GTPase activity
• GO:0005200 structural constituent of cytoskeleton
• GO:0005525 GTP binding
• GO:0016787 hydrolase activity
• 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:0005829 cytosol
• GO:0005856 cytoskeleton
• GO:0005874 microtubule
• GO:0015630 microtubule cytoskeleton

External links

• PDB: RCSB:6k9v, PDBe:6k9v, PDBj:6k9v
• PDBsum: 6k9v
• PubMed: 31369682
• UniProt: P81947|TBA1B_BOVIN Tubulin alpha-1B chain