MolNFT v1 · #68633 · protein

X-ray structure of oxidoreductase from corynebacterium diphtheriae, hexagonal crystal form. northeast structural genomics consortium target CDR100D

3K20: “X-ray structure of oxidoreductase from corynebacterium diphtheriae, hexagonal crystal form. northeast…”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.26). MolNFT v1 #68633 on GenesisL1: 3D structure, binding…

PDB: 3K20
Type: protein
Length: 181 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxidoreductase
UniProt: Q6NGS1
Ligands: SO4
Pockets: 1 · best druggability 0.26

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxidoreductase	protein	181	48% helix, 20% strand	Q6NGS1

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.26	0.73	18	empty

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

3K20 · X-ray structure of oxidoreductase from corynebacterium diphtheriae,hexagonal crystal… · 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 Q6NGS1
Elsewhere: RCSB PDB 3K20 · PDBe 3K20 · UniProt Q6NGS1

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