MolNFT v1 · #155814 · protein

Crystal structure of gelsolin G3 domain (calcium and magnesium condition)

6LJE: “Crystal structure of gelsolin G3 domain (calcium and magnesium condition)”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.53). MolNFT v1 #155814 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6LJE
Type: protein
Length: 202 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gelsolin
UniProt: P06396
Ligands: CA
Pockets: 3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Gelsolin	protein	101	27% helix, 31% strand	P06396

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

3 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	101	0.53	0.83	19	empty
2	122	0.43	0.76	22	empty
3	60	0.27	0.73	18	empty

Interfaces

1 interface between chains.

A–B · 290 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6LJE · Crystal structure of gelsolin G3 domain (calcium and magnesium condition) · the same entry in another collection · chain A against A, TM-score 1.00
P06396 · AlphaFold monomer V2.0 prediction for gelsolin (P06396) · a predicted model of the same protein · chain B against A, TM-score 0.87

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 P06396
Elsewhere: RCSB PDB 6LJE · PDBe 6LJE · UniProt P06396

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