MolNFT v1 · #13551 · protein

CD11A I-domain with bound mn++

1LFA: “CD11A I-domain with bound mn++”. X-ray diffraction, 2 ligands (MN, CL), 4 pockets (best druggability 0.62). MolNFT v1 #13551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1LFA
Type: protein
Length: 365 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CD11A
UniProt: P20701
Ligands: MN, CL
Pockets: 4 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CD11A	protein	183	38% helix, 23% strand	P20701
B	CD11A	protein	182	38% helix, 23% strand	P20701

Ligands and binding sites

MN · Manganese (II) ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	243	0.62	0.80	23	empty
2	229	0.62	0.80	21	empty
3	186	0.58	0.81	26	empty
4	120	0.43	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 348 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

1LFA · CD11A I-domain with bound mn++ · the same entry in another collection · chain A against A, TM-score 1.00
P20701 · AlphaFold monomer V2.0 prediction for integrin alpha-L (P20701) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P20701
Elsewhere: RCSB PDB 1LFA · PDBe 1LFA · UniProt P20701

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