MolNFT v1 · #19178 · protein

I domain from integrin ALPHA1-BETA1

1QC5 · Protein (ALPHA1 BETA1 integrin): “I domain from integrin ALPHA1-BETA1”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.59). MolNFT v1 #19178 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1QC5
Type: protein
Length: 382 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (ALPHA1 BETA1 integrin)
UniProt: P56199
Ligands: MG
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (ALPHA1 BETA1 integrin)	protein	192	43% helix, 22% strand	P56199
B	Protein (ALPHA1 BETA1 integrin)	protein	190	43% helix, 22% strand	P56199

Ligands and binding sites

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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	402	0.59	0.75	33	empty

Interfaces

1 interface between chains.

A–B · 234 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1QC5 · I Domain from Integrin Alpha1-Beta1 · the same entry in another collection · chain A against A, TM-score 1.00
P56199 · AlphaFold monomer V2.0 prediction for integrin alpha-1 (P56199) · a predicted model of the same protein · chain B 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 P56199
Elsewhere: RCSB PDB 1QC5 · PDBe 1QC5 · UniProt P56199

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