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Biow from aquifex aeoulicus

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

PDB: 5TV5
Type: protein
Length: 477 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 6-carboxyhexanoate--CoA ligase
EC: 6.2.1.14
UniProt: O67575
Pockets: 5 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	6-carboxyhexanoate--CoA ligase (EC 6.2.1.14)	protein	238	32% helix, 30% strand	O67575
B	6-carboxyhexanoate--CoA ligase (EC 6.2.1.14)	protein	239	31% helix, 31% strand	O67575

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	585	0.74	0.82	47	empty
2	549	0.74	0.82	50	empty
3	264	0.51	0.74	34	empty
4	134	0.43	0.76	22	empty
5	75	0.36	0.77	16	empty

Interfaces

1 interface between chains.

A–B · 85 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5TV5 · BioW from Aquifex aeoulicus · the same entry in another collection · chain A against A, TM-score 1.00
O67575 · AlphaFold monomer V2.0 prediction for 6-carboxyhexanoate--CoA ligase (O67575) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 O67575
Elsewhere: RCSB PDB 5TV5 · PDBe 5TV5 · UniProt O67575

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