MolNFT v1 · #86088 · protein

The aeropath project and pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery.

4AVY · Probable short-chain dehydrogenase: “The aeropath project and pseudomonas aeruginosa high-throughput crystallographic studies for assessment of…”. X-ray diffraction, 6 pockets (best druggability 0.73). MolNFT v1 #86088 on GenesisL1…

PDB: 4AVY
Type: protein
Length: 482 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable short-chain dehydrogenase
UniProt: Q9HWT0
Pockets: 6 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Probable short-chain dehydrogenase	protein	241	49% helix, 17% strand	Q9HWT0

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	510	0.73	0.82	52	empty
2	550	0.72	0.80	57	empty
3	271	0.58	0.78	35	empty
4	114	0.35	0.73	19	empty
5	100	0.35	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 1592 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

4AVY · The AEROPATH project and Pseudomonas aeruginosa high-throughput crystallographic studies… · 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 Q9HWT0
Elsewhere: RCSB PDB 4AVY · PDBe 4AVY · UniProt Q9HWT0

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