MolNFT v1 · #150962 · protein

1,1-diheterocyclic ethylenes derived from quinaldine and carbazole as new tubulin polymerization inhibitors: synthesis, metabolism, and biological evaluation

6H9B: “1,1-diheterocyclic ethylenes derived from quinaldine and carbazole as new tubulin polymerization inhibitors…”. X-ray diffraction, 5 ligands (GTP, GDP, FWH). MolNFT v1 #150962 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6H9B
Type: protein
Length: 1,858 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P63043
Ligands: GTP, GDP, FWH, MG, SO4

Structure

x-ray diffraction · 5 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	431	—	—
B	—	protein	431	—	—
C	—	protein	433	—	—
D	—	protein	427	—	—
E	—	protein	136	—	P63043

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B, C
GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, D
FWH · 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole · ligand · 2 copies · chains A, B, C, D
MG · Magnesium ion · metal · 2 copies · chains C
SO4 · Sulfate ion · ion · 11 copies · chains A, B, C, D, E

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

Compared structures

6H9B · 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin… · the same entry in another collection · chain A against A, TM-score 1.00

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 P63043
Elsewhere: RCSB PDB 6H9B · PDBe 6H9B · UniProt P63043

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