MolNFT v1 · #148977 · protein

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

6FMH: “Crystal structure of the membrane attack complex assembly inhibitor BGA71 from lyme disease agent borreliella…”. X-ray diffraction, 8 pockets (best druggability 0.84). MolNFT v1 #148977 on GenesisL1: 3D structure, binding sites and…

PDB: 6FMH
Type: protein
Length: 1,017 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Membrane attack complex assembly inhibitor BGA71
UniProt: Q6ASF4
Pockets: 8 · best druggability 0.84

Structure

x-ray diffraction · 6 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Membrane attack complex assembly inhibitor BGA71	protein	183	81% helix, 0% strand	Q6ASF4
B	Membrane attack complex assembly inhibitor BGA71	protein	177	80% helix, 0% strand	Q6ASF4
C	Membrane attack complex assembly inhibitor BGA71	protein	175	80% helix, 0% strand	Q6ASF4
D	Membrane attack complex assembly inhibitor BGA71	protein	179	79% helix, 0% strand	Q6ASF4
E	Membrane attack complex assembly inhibitor BGA71	protein	166	80% helix, 0% strand	Q6ASF4
F	Membrane attack complex assembly inhibitor BGA71	protein	137	82% helix, 0% strand	Q6ASF4

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	549	0.84	0.90	55	empty
2	510	0.83	0.90	59	empty
3	979	0.79	0.81	73	empty
4	249	0.51	0.75	32	empty
5	138	0.48	0.78	20	empty

Interfaces

6 interfaces between chains.

A–B · 1119 Å² buried · 9 hydrogen bonds · protein-protein
C–D · 1031 Å² buried · 10 hydrogen bonds · protein-protein
E–F · 869 Å² buried · 6 hydrogen bonds · protein-protein
B–D · 337 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 317 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

6FMH · 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 6FMH · PDBe 6FMH · UniProt Q6ASF4

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