MolNFT v1 · #124051 · protein

Crystal structure of laccase from thermus thermophilus HB27 (CUSO4, 20 min)

5K3K: “Crystal structure of laccase from thermus thermophilus HB27 (CUSO4, 20 min)”. X-ray diffraction, 1 ligand (CU), 5 pockets (best druggability 0.64). MolNFT v1 #124051 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5K3K
Type: protein
Length: 439 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Laccase
EC: 1.10.3.2
UniProt: Q72HW2
Ligands: CU
Pockets: 5 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Laccase (EC 1.10.3.2)	protein	439	6% helix, 49% strand	Q72HW2

Ligands and binding sites

CU · Copper (II) ion · metal · 3 copies · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 13 copies · chains A
MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	274	0.64	0.81	28	MPD
2	147	0.45	0.76	30	MPD
3	85	0.40	0.78	20	empty
4	73	0.33	0.75	17	empty
5	53	0.32	0.77	11	empty

Compared structures

5K3K · Crystal structure of laccase from Thermus thermophilus HB27 (CuSO4, 20 min) · 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 Q72HW2
Elsewhere: RCSB PDB 5K3K · PDBe 5K3K · UniProt Q72HW2

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