MolNFT v1 · #138749 · protein

Crystal structure of a lytic polysaccharide MONOOXYGENASE,BTLPMO10A, from bacillus thuringiensis

5WSZ: “Crystal structure of a lytic polysaccharide MONOOXYGENASE,BTLPMO10A, from bacillus thuringiensis”. X-ray diffraction, 1 ligand (CU), 3 pockets (best druggability 0.74). MolNFT v1 #138749 on GenesisL1: 3D structure, binding sites and…

PDB: 5WSZ
Type: protein
Length: 673 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LPMO10A
UniProt: A0A0C5K362
Ligands: CU
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	LPMO10A	protein	169	12% helix, 39% strand	A0A0C5K362
B, C, D	LPMO10A	protein	168	12% helix, 41% strand	A0A0C5K362

Ligands and binding sites

CU · Copper (II) ion · metal · 4 copies · chains A, D, B, C

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	675	0.74	0.80	71	empty
2	121	0.51	0.82	26	empty
3	59	0.35	0.78	18	empty

Interfaces

5 interfaces between chains.

B–C · 472 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 394 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 237 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 165 Å² buried · 1 hydrogen bond · protein-protein
A–C · 40 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

5WSZ · Crystal structure of a lytic polysaccharide monooxygenase,BtLPMO10A, from Bacillus… · 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 A0A0C5K362
Elsewhere: RCSB PDB 5WSZ · PDBe 5WSZ · UniProt A0A0C5K362

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