MolNFT v1 · #159995 · protein

1.8 ångström structure of ALN2 from streptomyces sp. CM020

6P7L: “1.8 ångström structure of ALN2 from streptomyces sp. CM020”. X-ray diffraction, 13 pockets (best druggability 0.88). MolNFT v1 #159995 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6P7L
Type: protein
Length: 824 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALN2
UniProt: B6SEE8
Pockets: 13 · best druggability 0.88

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALN2	protein	140	33% helix, 43% strand	B6SEE8
B, D, E	ALN2	protein	137	34% helix, 44% strand	B6SEE8
C	ALN2	protein	138	34% helix, 43% strand	B6SEE8
F	ALN2	protein	135	33% helix, 44% strand	B6SEE8

Ligands and binding sites

GOL · Glycerol · additive · chains A

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

Pockets

13 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	421	0.88	0.96	41	empty
2	420	0.88	0.95	42	empty
3	1146	0.86	0.86	100	GOL
4	856	0.78	0.81	93	empty
5	258	0.70	0.85	31	empty

Interfaces

14 interfaces between chains.

B–C · 1181 Å² buried · 15 hydrogen bonds · protein-protein
A–D · 1174 Å² buried · 14 hydrogen bonds · protein-protein
B–F · 1174 Å² buried · 16 hydrogen bonds · protein-protein
D–E · 1170 Å² buried · 17 hydrogen bonds · protein-protein
A–E · 1148 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

6P7L · 1.8 Angstrom structure of Aln2 from Streptomyces sp. CM020 · 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 B6SEE8
Elsewhere: RCSB PDB 6P7L · PDBe 6P7L · UniProt B6SEE8

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