MolNFT v1 · #136007 · protein

Crystal structure of a cellulose-active polysaccharide monooxygenase from M. thermophila (MTPMO3*)

5UFV · Glycoside hydrolase family 61 protein: “Crystal structure of a cellulose-active polysaccharide monooxygenase from M. thermophila (MTPMO3*)”. X-ray diffraction, 1 ligand (CU), 9 pockets (best druggability 0.76). MolNFT v1 #136007 on…

PDB: 5UFV
Type: protein
Length: 1,368 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycoside hydrolase family 61 protein
UniProt: G2QAB5
Ligands: CU
Pockets: 9 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Glycoside hydrolase family 61 protein	protein	228	7% helix, 33% strand	G2QAB5

Ligands and binding sites

CU · Copper (II) ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1171	0.76	0.78	104	empty
2	930	0.75	0.79	108	empty
3	275	0.71	0.86	50	empty
4	370	0.59	0.76	32	empty
5	199	0.52	0.77	32	empty

Interfaces

11 interfaces between chains.

E–F · 583 Å² buried · 8 hydrogen bonds · protein-protein
A–E · 528 Å² buried · 4 hydrogen bonds · protein-protein
D–F · 496 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 308 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 303 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 6 modified (disulfide, methylation).

Compared structures

5UFV · Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila… · 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 G2QAB5
Elsewhere: RCSB PDB 5UFV · PDBe 5UFV · UniProt G2QAB5

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