MolNFT v1 · #121702 · protein

Crystal structure of tyrosinase from bacillus megaterium with inhibitor kojic acid in the active site

5I38: “Crystal structure of tyrosinase from bacillus megaterium with inhibitor kojic acid in the active site”. X-ray diffraction, 2 ligands (KOJ, CU), 3 pockets (best druggability 0.74). MolNFT v1 #121702 on GenesisL1: 3D structure…

PDB: 5I38
Type: protein
Length: 573 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosinase
UniProt: B2ZB02
Ligands: KOJ, CU
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosinase	protein	286	42% helix, 5% strand	B2ZB02
B	Tyrosinase	protein	287	41% helix, 5% strand	B2ZB02

Ligands and binding sites

KOJ · 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one · ligand · 2 copies · chains A, B
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

3 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	519	0.74	0.82	90	KOJ
2	56	0.36	0.79	16	empty
3	61	0.35	0.77	19	empty

Interfaces

1 interface between chains.

A–B · 1182 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

5I38 · Crystal Structure of tyrosinase from Bacillus megaterium with inhibitor kojic acid in the… · 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 5I38 · PDBe 5I38 · UniProt B2ZB02

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