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Crystal structure of alba in complex with albicidin

Analyse Crystal structure of alba in complex with albicidin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6ET8
Type: protein
Length: 430 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Albicidin resistance protein
UniProt: Q8KRS7
Ligands: BWH, SO4
Pockets: 3 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Albicidin resistance protein	protein	215	75% helix, 0% strand	Q8KRS7
B	Albicidin resistance protein	protein	215	76% helix, 0% strand	Q8KRS7

Ligands and binding sites

BWH · albicidin · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · chains B

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

Pockets

3 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	612	0.89	0.93	76	BWH
2	347	0.85	0.94	47	BWH
3	108	0.68	0.91	27	empty

Interfaces

1 interface between chains.

A–B · 1202 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

6ET8 · Crystal structure of AlbA in complex with albicidin · 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 Q8KRS7
Elsewhere: RCSB PDB 6ET8 · PDBe 6ET8 · UniProt Q8KRS7

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