MolNFT v1 · #95842 · protein

Crystal structure of a putative short-chain alcohol dehydrogenase from sinorhizobium meliloti 1021 (target nysgrc-011708)

4J2H · Short chain alcohol dehydrogenase-related dehydrogenase: “Crystal structure of a putative short-chain alcohol dehydrogenase from sinorhizobium meliloti 1021 (target…”. X-ray diffraction, 1 ligand (NA), 1 pocket (best druggability…

PDB: 4J2H
Type: protein
Length: 252 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Short chain alcohol dehydrogenase-related dehydrogenase
UniProt: Q930I9
Ligands: NA
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Short chain alcohol dehydrogenase-related dehydrogenase	protein	252	50% helix, 15% strand	Q930I9

Ligands and binding sites

NA · Sodium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 5 copies · chains A
1PE · Pentaethylene glycol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	468	0.73	0.82	54	EDO, 1PE

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

4J2H · Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium… · 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 Q930I9
Elsewhere: RCSB PDB 4J2H · PDBe 4J2H · UniProt Q930I9

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