MolNFT v1 · #105603 · protein

Crystal structure of putative ALDO/KETO reductase from salmonella enterica

4R9O: “Crystal structure of putative ALDO/KETO reductase from salmonella enterica”. X-ray diffraction, 8 pockets (best druggability 0.74). MolNFT v1 #105603 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4R9O
Type: protein
Length: 881 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative ALDO/KETO reductase
UniProt: Q8ZPN5
Pockets: 8 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative ALDO/KETO reductase	protein	293	47% helix, 16% strand	Q8ZPN5
C	Putative ALDO/KETO reductase	protein	295	48% helix, 16% strand	Q8ZPN5

Pockets

8 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	664	0.74	0.80	84	empty
2	202	0.53	0.78	37	empty
3	75	0.48	0.83	21	empty
4	142	0.44	0.76	23	empty
5	159	0.44	0.75	25	empty

Interfaces

2 interfaces between chains.

A–B · 1335 Å² buried · 22 hydrogen bonds · protein-protein
B–C · 929 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

4R9O · Crystal Structure of Putative Aldo/Keto Reductase from Salmonella enterica · 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 Q8ZPN5
Elsewhere: RCSB PDB 4R9O · PDBe 4R9O · UniProt Q8ZPN5

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