MolNFT v1 · #62260 · protein

Crystal structure of spastin mit in complex with escrt III

3EAB: “Crystal structure of spastin mit in complex with escrt III”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #62260 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3EAB
Type: protein
Length: 759 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Spastin; CHMP1B
UniProt: Q9UBP0, B2RA72
Pockets: 10 · best druggability 0.76

Structure

x-ray diffraction · 11 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Spastin	protein	89	81% helix, 0% strand	Q9UBP0
B	Spastin	protein	88	80% helix, 0% strand	Q9UBP0
D	Spastin	protein	88	82% helix, 0% strand	Q9UBP0
E	Spastin	protein	86	83% helix, 0% strand	Q9UBP0
F	Spastin	protein	87	79% helix, 0% strand	Q9UBP0
G	CHMP1B	protein	40	73% helix, 0% strand	B2RA72
H	CHMP1B	protein	39	79% helix, 0% strand	B2RA72
I	CHMP1B	protein	41	76% helix, 0% strand	B2RA72
J	CHMP1B	protein	37	65% helix, 0% strand	B2RA72
K	CHMP1B	protein	38	79% helix, 0% strand	B2RA72
L	CHMP1B	protein	37	76% helix, 0% strand	B2RA72

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1063	0.76	0.78	95	empty
2	158	0.49	0.78	23	empty
3	89	0.44	0.79	16	empty
4	114	0.43	0.77	21	empty
5	76	0.37	0.77	17	empty

Interfaces

17 interfaces between chains.

B–H · 1159 Å² buried · 19 hydrogen bonds · protein-protein
E–K · 1125 Å² buried · 18 hydrogen bonds · protein-protein
A–G · 1123 Å² buried · 17 hydrogen bonds · protein-protein
C–I · 1098 Å² buried · 14 hydrogen bonds · protein-protein
F–L · 1065 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3EAB · Crystal structure of Spastin MIT in complex with ESCRT III · the same entry in another collection · chain L against L, 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 Q9UBP0
Every structure of UniProt B2RA72
Elsewhere: RCSB PDB 3EAB · PDBe 3EAB · UniProt Q9UBP0 · UniProt B2RA72

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