MolNFT v1 · #162059 · protein

Crystal structure of tyrosinase from bacillus megaterium with jkb inhibitor in the active site.

6QXD: “Crystal structure of tyrosinase from bacillus megaterium with jkb inhibitor in the active site.”. X-ray diffraction, 2 ligands (JKB, CU), 4 pockets (best druggability 0.76). MolNFT v1 #162059 on GenesisL1: 3D structure, binding…

PDB: 6QXD
Type: protein
Length: 574 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosinase
UniProt: B2ZB02
Ligands: JKB, CU
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tyrosinase	protein	287	42% helix, 6% strand	B2ZB02

Ligands and binding sites

JKB · (2,4-dinitrophenyl)-[4-[(4-fluorophenyl) methyl]piperazin-1-yl]methanone · ligand · chains A
CU · Copper (II) ion · metal · 4 copies · chains A, B

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

Pockets

4 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	170	0.76	0.92	32	empty
2	128	0.50	0.80	23	JKB
3	66	0.42	0.81	17	empty
4	105	0.39	0.76	25	empty

Interfaces

1 interface between chains.

A–B · 1091 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

6QXD · Crystal Structure of tyrosinase from Bacillus megaterium with JKB inhibitor in the active… · 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 B2ZB02
Elsewhere: RCSB PDB 6QXD · PDBe 6QXD · UniProt B2ZB02

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