MolNFT v1 · #76373 · protein

Crystal structure of a putative short-chain dehydrogenase or 3- oxoacyl-[acyl-carrier-protein] reductase from mycobacterium paratuberculosis atcc baa-968 / K-10

3QIV · Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier…: “Crystal structure of a putative short-chain dehydrogenase or 3- oxoacyl-[acyl-carrier-protein] reductase from…”. X-ray diffraction, 4 pockets (best druggability 0.52). MolNFT…

PDB: 3QIV
Type: protein
Length: 394 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier- protein] reductase
UniProt: Q743I2
Pockets: 4 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier- protein] reductase	protein	199	51% helix, 19% strand	Q743I2
B	Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier- protein] reductase	protein	195	50% helix, 19% strand	Q743I2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	134	0.52	0.81	33	empty
2	56	0.41	0.82	21	empty
3	58	0.32	0.77	14	empty
4	51	0.30	0.76	10	empty

Interfaces

1 interface between chains.

A–B · 620 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3QIV · Crystal structure of a putative short-chain dehydrogenase or… · 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 Q743I2
Elsewhere: RCSB PDB 3QIV · PDBe 3QIV · UniProt Q743I2

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