MolNFT v1 · #55127 · protein

X-ray induced reduction of laccase from thermus thermophilus HB27 (62.5-75.0 percent dose)

2YAP: “X-ray induced reduction of laccase from thermus thermophilus HB27 (62.5-75.0 percent dose)”. X-ray diffraction, 1 ligand (CU), 5 pockets (best druggability 0.62). MolNFT v1 #55127 on GenesisL1: 3D structure, binding sites and…

PDB: 2YAP
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 0.62

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 · 8 copies · chains A
MRD · (4R)-2-methylpentane-2,4-diol · additive · 8 copies · 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	300	0.62	0.79	27	MPD, MRD
2	157	0.48	0.77	29	MRD, MPD
3	88	0.38	0.77	23	empty
4	57	0.34	0.77	11	empty
5	56	0.28	0.74	16	MRD

Compared structures

2YAP · X-ray induced reduction of laccase from Thermus thermophilus HB27 (62. 5-75.0 percent… · 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 2YAP · PDBe 2YAP · UniProt Q72HW2

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