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Crystal structure of the membrane attack complex assembly inhibitor BGA71 from lyme disease agent borreliella bavariensis

Analyse Crystal structure of the membrane attack complex assembly inhibitor BGA71 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6FL0
Type: protein
Length: 3,162 residues
Chains: 18
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Membrane attack complex assembly inhibitor BGA71
UniProt: Q6ASF4
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 14 distinct chains · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Membrane attack complex assembly inhibitor BGA71	protein	183	79% helix, 0% strand	Q6ASF4
B	Membrane attack complex assembly inhibitor BGA71	protein	170	76% helix, 0% strand	Q6ASF4
C, J, L	Membrane attack complex assembly inhibitor BGA71	protein	181	79% helix, 0% strand	Q6ASF4
E, O	Membrane attack complex assembly inhibitor BGA71	protein	183	78% helix, 0% strand	Q6ASF4
F	Membrane attack complex assembly inhibitor BGA71	protein	173	77% helix, 0% strand	Q6ASF4
G	Membrane attack complex assembly inhibitor BGA71	protein	170	79% helix, 0% strand	Q6ASF4
H	Membrane attack complex assembly inhibitor BGA71	protein	173	79% helix, 0% strand	Q6ASF4
I	Membrane attack complex assembly inhibitor BGA71	protein	181	77% helix, 0% strand	Q6ASF4
K	Membrane attack complex assembly inhibitor BGA71	protein	158	78% helix, 0% strand	Q6ASF4
M	Membrane attack complex assembly inhibitor BGA71	protein	171	79% helix, 0% strand	Q6ASF4
N	Membrane attack complex assembly inhibitor BGA71	protein	172	79% helix, 0% strand	Q6ASF4
P	Membrane attack complex assembly inhibitor BGA71	protein	178	79% helix, 0% strand	Q6ASF4
Q	Membrane attack complex assembly inhibitor BGA71	protein	175	79% helix, 0% strand	Q6ASF4
R	Membrane attack complex assembly inhibitor BGA71	protein	166	81% helix, 0% strand	Q6ASF4

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	618	0.80	0.85	65	empty
2	625	0.80	0.85	58	empty
3	587	0.80	0.85	58	empty
4	458	0.80	0.87	49	empty
5	594	0.79	0.85	70	empty

Interfaces

34 interfaces between chains.

F–O · 1205 Å² buried · 6 hydrogen bonds · protein-protein
J–P · 1174 Å² buried · 7 hydrogen bonds · protein-protein
I–N · 1132 Å² buried · 8 hydrogen bonds · protein-protein
A–G · 1110 Å² buried · 8 hydrogen bonds · protein-protein
L–Q · 433 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6FL0 · Crystal structure of the membrane attack complex assembly inhibitor BGA71 from Lyme… · 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 Q6ASF4
Elsewhere: RCSB PDB 6FL0 · PDBe 6FL0 · UniProt Q6ASF4

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