MolNFT v1 · #36804 · protein

C-terminal half of gelsolin soaked in egta at pH 4.5

2FH2: “C-terminal half of gelsolin soaked in egta at pH 4.5”. X-ray diffraction, 1 ligand (CA), 10 pockets (best druggability 0.61). MolNFT v1 #36804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2FH2
Type: protein
Length: 967 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gelsolin
UniProt: P06396
Ligands: CA
Pockets: 10 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gelsolin	protein	321	23% helix, 31% strand	P06396
B	Gelsolin	protein	324	23% helix, 28% strand	P06396
C	Gelsolin	protein	322	25% helix, 29% strand	P06396

Ligands and binding sites

CA · Calcium ion · metal · 8 copies · chains A, B, C

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

Pockets

10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	228	0.61	0.81	25	empty
2	251	0.60	0.80	31	empty
3	240	0.59	0.80	35	empty
4	112	0.58	0.85	20	empty
5	199	0.54	0.79	24	empty

Interfaces

3 interfaces between chains.

A–B · 327 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 128 Å² buried · 1 hydrogen bond · protein-protein
B–C · 93 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2FH2 · C-terminal half of gelsolin soaked in EGTA at pH 4.5 · 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 C against A, TM-score 0.63

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 2FH2 · PDBe 2FH2 · UniProt P06396

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