MolNFT v1 · #35641 · protein

Crystal structure analysis of oxidoreductase

2EHD · Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family: “Crystal structure analysis of oxidoreductase”. X-ray diffraction, 1 ligand (CO), 3 pockets (best druggability 0.54). MolNFT v1 #35641 on GenesisL1: 3D structure, binding…

PDB: 2EHD
Type: protein
Length: 420 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family
UniProt: Q5SK86
Ligands: CO
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family	protein	207	50% helix, 16% strand	Q5SK86
B	Oxidoreductase, short-chain DEHYDROGENASE/REDUCTASE family	protein	213	50% helix, 17% strand	Q5SK86

Ligands and binding sites

CO · Cobalt (II) ion · metal · 2 copies · chains A, B

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

Pockets

3 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	238	0.54	0.77	38	CO
2	146	0.52	0.80	29	CO
3	54	0.28	0.75	11	empty

Interfaces

1 interface between chains.

A–B · 1553 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2EHD · Crystal Structure Analysis of Oxidoreductase · 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 Q5SK86
Elsewhere: RCSB PDB 2EHD · PDBe 2EHD · UniProt Q5SK86

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