MolNFT v1 · #152114 · protein

Alpha-1-antitrypsin (ALA250MET) in the native conformation

6I7U: “Alpha-1-antitrypsin (ALA250MET) in the native conformation”. X-ray diffraction, 4 pockets (best druggability 0.52). MolNFT v1 #152114 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I7U
Type: protein
Length: 372 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-1-antitrypsin
UniProt: P01009
Pockets: 4 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-1-antitrypsin	protein	372	29% helix, 31% strand	P01009

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	112	0.52	0.82	20	empty
2	102	0.49	0.81	27	empty
3	105	0.42	0.77	24	empty
4	51	0.29	0.75	12	empty

Compared structures

6I7U · Alpha-1-antitrypsin (Ala250Met) in the native conformation · the same entry in another collection · chain A against A, TM-score 1.00
P01009 · AlphaFold monomer V2.0 prediction for alpha-1-antitrypsin (P01009) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P01009
Elsewhere: RCSB PDB 6I7U · PDBe 6I7U · UniProt P01009

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