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MolNFT v1 · #165464 · protein

CU(I) NMR solution structure of the chitin-active lytic polysaccharide monooxygenase BLLPMO10A

6TWE · Putative chitin binding protein: “CU(I) NMR solution structure of the chitin-active lytic polysaccharide monooxygenase BLLPMO10A”. Solution nmr, 1 ligand (CU1), 3 pockets (best druggability 0.73). MolNFT v1 #165464 on GenesisL1: 3D…

PDB
6TWE
Type
protein
Length
172 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative chitin binding protein
UniProt
Q62YN7
Ligands
CU1
Pockets
3 · best druggability 0.73

Structure

solution nmr · 1 distinct chain · 13% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative chitin binding proteinprotein17213% helix, 37% strandQ62YN7

Ligands and binding sites

  • CU1 · Copper (I) ion · metal · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12800.730.8644empty
26240.720.7955empty
3770.370.7613empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6TWE · Cu(I) NMR solution structure of the chitin-active lytic polysaccharide monooxygenase… · the same entry in another collection · chain A against A, TM-score 1.00

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