MolNFT v1 · #156424 · protein

Crystal structure of ANKG/BETA4-spectrin complex

6M3R · Ankyrin-3: “Crystal structure of ANKG/BETA4-spectrin complex”. X-ray diffraction, 10 pockets (best druggability 0.62). MolNFT v1 #156424 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6M3R
Type: protein
Length: 711 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ankyrin-3; Spectrin beta chain
UniProt: O70511, Q8VIE5
Pockets: 10 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Ankyrin-3	protein	422	8% helix, 39% strand	O70511
F	Spectrin beta chain	protein	289	85% helix, 0% strand	Q8VIE5

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.62	0.91	24	empty
2	464	0.62	0.76	49	empty
3	192	0.61	0.82	34	empty
4	268	0.55	0.76	46	empty
5	151	0.54	0.80	30	empty

Interfaces

1 interface between chains.

E–F · 879 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6M3R · Crystal structure of AnkG/beta4-spectrin complex · the same entry in another collection · chain E against E, TM-score 1.00
O70511 · AlphaFold monomer V2.0 prediction for ankyrin-3 (O70511) · a predicted model of the same protein · chain E against A, TM-score 0.92

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 O70511
Every structure of UniProt Q8VIE5
Elsewhere: RCSB PDB 6M3R · PDBe 6M3R · UniProt O70511 · UniProt Q8VIE5

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