Research workbench

Crystal structure of AQ2171 from aquifex aeolicus

Analyse Crystal structure of AQ2171 from aquifex aeolicus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2P9J
Type: protein
Length: 1,252 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein AQ2171
UniProt: O67920
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 7 distinct chains · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein AQ2171	protein	158	42% helix, 24% strand	O67920
B, C	Hypothetical protein AQ2171	protein	162	40% helix, 23% strand	O67920
D	Hypothetical protein AQ2171	protein	161	42% helix, 25% strand	O67920
E	Hypothetical protein AQ2171	protein	153	44% helix, 20% strand	O67920
F	Hypothetical protein AQ2171	protein	151	42% helix, 21% strand	O67920
G	Hypothetical protein AQ2171	protein	149	42% helix, 19% strand	O67920
H	Hypothetical protein AQ2171	protein	156	40% helix, 21% strand	O67920

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	373	0.76	0.87	54	empty
2	635	0.75	0.82	69	empty
3	593	0.75	0.82	47	empty
4	559	0.72	0.81	54	empty
5	721	0.71	0.78	50	empty

Interfaces

20 interfaces between chains.

F–G · 1088 Å² buried · 17 hydrogen bonds · protein-protein
G–H · 1007 Å² buried · 16 hydrogen bonds · protein-protein
E–F · 979 Å² buried · 21 hydrogen bonds · protein-protein
E–H · 971 Å² buried · 20 hydrogen bonds · protein-protein
B–C · 702 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

2P9J · Crystal structure of AQ2171 from Aquifex aeolicus · 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 O67920
Elsewhere: RCSB PDB 2P9J · PDBe 2P9J · UniProt O67920

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.