MolNFT v1 · #161296 · protein

Crystal structure of the pathological G167R variant of calcium-free human gelsolin,

6Q9Z: “Crystal structure of the pathological G167R variant of calcium-free human gelsolin,”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.82). MolNFT v1 #161296 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6Q9Z
Type: protein
Length: 1,424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gelsolin
UniProt: P06396
Ligands: SO4
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gelsolin	protein	708	24% helix, 27% strand	P06396
B	Gelsolin	protein	716	25% helix, 28% strand	P06396

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains B, A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1050	0.82	0.83	123	empty
2	887	0.79	0.82	97	empty
3	694	0.78	0.83	74	GOL
4	796	0.77	0.81	92	GOL
5	263	0.76	0.89	51	SO4

Interfaces

1 interface between chains.

A–B · 1074 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6Q9Z · Crystal structure of the pathological G167R variant of calcium-free human gelsolin, · 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 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 P06396
Elsewhere: RCSB PDB 6Q9Z · PDBe 6Q9Z · UniProt P06396

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