MolNFT v2 · #164857 · protein

Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes

6S8K: “Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes”. X-ray diffraction at 1.52, 4 ligands (GTP, PN6, GDP). MolNFT v2 #164857 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6S8K
Type: protein
Length: 1,017 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.52
Source: Bos taurus; synthetic construct
UniProt: P81947, Q6B856
Ligands: GTP, PN6, GDP, MG

Structure

x-ray diffraction · resolution 1.52 · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	437	—	P81947
B	—	protein	425	—	Q6B856
F	—	protein	155	—	—

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · chains A, B
PN6 · (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione · ligand · chains A, B
GDP · Guanosine-5'-diphosphate · ligand · chains B
MG · Magnesium ion · metal · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6S8K · Structure, thermodynamics, and kinetics of plinabulin binding to two tubulin isotypes · the same entry in another collection · chain A against A, TM-score 1.00
P81947 · AlphaFold monomer V2.0 prediction for tubulin alpha-1B chain (P81947) · a predicted model of the same protein · chain A against A, TM-score 0.95

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P81947
Every structure of UniProt Q6B856
Elsewhere: RCSB PDB 6S8K · PDBe 6S8K · UniProt P81947 · UniProt Q6B856

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