MolNFT v1 · #47877 · protein

Probable glutaminase from geobacillus kaustophilus HTA426

2PBY: “Probable glutaminase from geobacillus kaustophilus HTA426”. X-ray diffraction, 20 pockets (best druggability 0.65). MolNFT v1 #47877 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2PBY
Type: protein
Length: 1,155 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutaminase
EC: 3.5.1.2
UniProt: Q5KY26
Pockets: 20 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutaminase (EC 3.5.1.2)	protein	291	50% helix, 14% strand	Q5KY26
B	Glutaminase (EC 3.5.1.2)	protein	290	53% helix, 12% strand	Q5KY26
C	Glutaminase (EC 3.5.1.2)	protein	288	51% helix, 13% strand	Q5KY26
D	Glutaminase (EC 3.5.1.2)	protein	286	50% helix, 13% strand	Q5KY26

Pockets

20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	322	0.65	0.81	45	empty
2	280	0.63	0.81	36	empty
3	77	0.63	0.91	25	empty
4	262	0.62	0.81	38	empty
5	270	0.61	0.80	39	empty

Interfaces

4 interfaces between chains.

A–D · 1060 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 936 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 517 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 494 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

2PBY · Probable Glutaminase from Geobacillus kaustophilus HTA426 · the same entry in another collection · chain D against D, TM-score 1.00
Q5KY26 · AlphaFold monomer V2.0 prediction for glutaminase (Q5KY26) · a predicted model of the same protein · chain C 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 Q5KY26
Elsewhere: RCSB PDB 2PBY · PDBe 2PBY · UniProt Q5KY26

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