Structure of PDB 5xkg Chain C Binding Site BS02

Receptor Information

>5xkg Chain C (length=440) Species: 9823 (Sus scrofa)

MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN
TFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFT
SLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNV
DLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSV

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5xkg Chain C Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xkg Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
• Resolution: 2.2 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:0005856 cytoskeleton
• GO:0005874 microtubule
• GO:0015630 microtubule cytoskeleton

External links

• PDB: RCSB:5xkg, PDBe:5xkg, PDBj:5xkg
• PDBsum: 5xkg
• UniProt: Q2XVP4|TBA1B_PIG Tubulin alpha-1B chain (Gene Name=TUBA1B)