MolNFT v1 · #150022 · protein

Crystal structure of a GST variant

6GHF · Pvgmgstug: “Crystal structure of a GST variant”. X-ray diffraction, 9 pockets (best druggability 0.64). MolNFT v1 #150022 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6GHF
Type: protein
Length: 418 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pvgmgstug
Pockets: 9 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Pvgmgstug	protein	208	45% helix, 8% strand	—
A	Pvgmgstug	protein	210	46% helix, 7% strand	—

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	337	0.64	0.79	41	empty
2	229	0.51	0.75	22	empty
3	180	0.49	0.75	19	empty
4	101	0.40	0.76	15	empty
5	65	0.38	0.78	14	empty

Interfaces

1 interface between chains.

B–A · 1149 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6GHF · Crystal structure of a GST variant · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 6GHF · PDBe 6GHF

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