MolNFT v1 · #90895 · protein

Putative aldo-keto reductase from pseudomona aeruginosa

4EXB · Putative uncharacterized protein: “Putative aldo-keto reductase from pseudomona aeruginosa”. X-ray diffraction, 9 pockets (best druggability 0.59). MolNFT v1 #90895 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4EXB
Type: protein
Length: 1,519 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein
UniProt: Q9HUH3
Pockets: 9 · best druggability 0.59

Structure

x-ray diffraction · 6 distinct chains · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein	protein	253	40% helix, 19% strand	Q9HUH3
B	Putative uncharacterized protein	protein	255	39% helix, 19% strand	Q9HUH3
C	Putative uncharacterized protein	protein	250	42% helix, 19% strand	Q9HUH3
D	Putative uncharacterized protein	protein	255	41% helix, 19% strand	Q9HUH3
E	Putative uncharacterized protein	protein	255	41% helix, 18% strand	Q9HUH3
F	Putative uncharacterized protein	protein	251	42% helix, 19% strand	Q9HUH3

Pockets

9 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	380	0.59	0.76	43	empty
2	363	0.59	0.76	40	empty
3	317	0.57	0.77	38	empty
4	337	0.57	0.76	38	empty
5	273	0.54	0.76	35	empty

Interfaces

3 interfaces between chains.

D–E · 1110 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 1006 Å² buried · 2 hydrogen bonds · protein-protein
C–F · 923 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4EXB · Putative aldo-keto reductase from Pseudomona aeruginosa · the same entry in another collection · chain A against A, 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
Every structure of UniProt Q9HUH3
Elsewhere: RCSB PDB 4EXB · PDBe 4EXB · UniProt Q9HUH3

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