MolNFT v1 · #104686 · protein

Dehydrogenase domain of myriococcum thermophilum cellobiose dehydrogenase, mtdh

4QI4: “Dehydrogenase domain of myriococcum thermophilum cellobiose dehydrogenase, mtdh”. X-ray diffraction, 3 ligands (FAD, NAG, CD), 3 pockets (best druggability 0.86). MolNFT v1 #104686 on GenesisL1: 3D structure, binding sites and…

PDB: 4QI4
Type: protein
Length: 585 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellobiose dehydrogenase
UniProt: A9XK88
Ligands: FAD, NAG, CD
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellobiose dehydrogenase	protein	585	26% helix, 22% strand	A9XK88

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
CD · Cadmium ion · metal · 9 copies · chains A

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	819	0.86	0.88	85	FAD, CD
2	166	0.61	0.84	26	empty
3	57	0.33	0.77	17	empty

Modifications

Observed in the structure: 3 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

4QI4 · Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase, MtDH · 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 A9XK88
Elsewhere: RCSB PDB 4QI4 · PDBe 4QI4 · UniProt A9XK88

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