MolNFT v1 · #68160 · protein

Ciliary microtubule doublet

3JAO · Tubulin alpha 1A chain: “Ciliary microtubule doublet”. Electron microscopy, 3 ligands (GTP, G2P, MG), 8 pockets (best druggability 0.83). MolNFT v1 #68160 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3JAO
Type: protein
Length: 854 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tubulin alpha 1A chain; Tubulin beta chain
Ligands: GTP, G2P, MG
Pockets: 8 · best druggability 0.83

Structure

electron microscopy · 2 distinct chains · 49% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tubulin alpha 1A chain	protein	428	47% helix, 18% strand	—
B	Tubulin beta chain	protein	426	50% helix, 19% strand	—

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · chains A, B
G2P · Phosphomethylphosphonic acid guanylate ester · ligand · chains B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	600	0.83	0.88	85	GTP, MG
2	275	0.58	0.78	30	G2P, MG
3	265	0.56	0.77	34	empty
4	80	0.45	0.81	15	empty
5	137	0.45	0.77	25	empty

Interfaces

1 interface between chains.

A–B · 1906 Å² buried · 33 hydrogen bonds · protein-protein

Compared structures

3JAO · Ciliary microtubule doublet · 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
Elsewhere: RCSB PDB 3JAO · PDBe 3JAO

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