MolNFT v1 · #8632 · protein

Alpha-catenin M-domain

1H6G · Alpha-1 catenin: “Alpha-catenin M-domain”. X-ray diffraction, 2 ligands (CA, CL), 4 pockets (best druggability 0.54). MolNFT v1 #8632 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1H6G
Type: protein
Length: 496 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-1 catenin
UniProt: P35221
Ligands: CA, CL
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-1 catenin	protein	255	83% helix, 0% strand	P35221
B	Alpha-1 catenin	protein	241	84% helix, 0% strand	P35221

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A, B

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

Pockets

4 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	129	0.54	0.82	21	MPD, CA
2	115	0.49	0.81	20	CL
3	159	0.46	0.76	23	empty
4	53	0.27	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 638 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

1H6G · alpha-catenin M-domain · the same entry in another collection · chain A against A, TM-score 1.00
P35221 · AlphaFold monomer V2.0 prediction for catenin alpha-1 (P35221) · a predicted model of the same protein · chain A against A, TM-score 0.60

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 P35221
Elsewhere: RCSB PDB 1H6G · PDBe 1H6G · UniProt P35221

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