MolNFT v1 · #168746 · protein

Crystal structure of bacillus licheniformis lipase BLEST2 in mature form

6WPY: “Crystal structure of bacillus licheniformis lipase BLEST2 in mature form”. X-ray diffraction, 14 pockets (best druggability 0.64). MolNFT v1 #168746 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WPY
Type: protein
Length: 1,470 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BLEST2
UniProt: A0A415J7C9
Pockets: 14 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	BLEST2	protein	245	42% helix, 14% strand	A0A415J7C9

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	162	0.64	0.85	39	empty
2	166	0.63	0.85	39	empty
3	451	0.58	0.74	39	empty
4	142	0.53	0.80	28	empty
5	137	0.52	0.80	27	empty

Interfaces

8 interfaces between chains.

B–E · 492 Å² buried · 6 hydrogen bonds · protein-protein
C–F · 459 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 405 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 369 Å² buried · 0 hydrogen bonds · protein-protein
A–B · 307 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6WPY · Crystal structure of Bacillus licheniformis lipase BlEst2 in mature form · 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 A0A415J7C9
Elsewhere: RCSB PDB 6WPY · PDBe 6WPY · UniProt A0A415J7C9

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