MolNFT v1 · #154719 · protein

A crystal structure of ospa mutant

6KK9 · Outer surface protein a: “A crystal structure of ospa mutant”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #154719 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KK9
Type: protein
Length: 754 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer surface protein a
UniProt: D0VWU8
Pockets: 9 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 0% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
O	Outer surface protein a	protein	187	0% helix, 55% strand	D0VWU8
B	Outer surface protein a	protein	190	0% helix, 57% strand	D0VWU8
C	Outer surface protein a	protein	188	0% helix, 56% strand	D0VWU8
D	Outer surface protein a	protein	189	0% helix, 57% strand	D0VWU8

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	682	0.79	0.84	93	empty
2	463	0.76	0.84	57	empty
3	467	0.73	0.82	69	empty
4	238	0.70	0.85	49	empty
5	75	0.69	0.94	21	empty

Interfaces

3 interfaces between chains.

O–C · 1580 Å² buried · 14 hydrogen bonds · protein-protein
B–D · 1450 Å² buried · 18 hydrogen bonds · protein-protein
O–D · 671 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6KK9 · A Crystal structure of OspA mutant · the same entry in another collection · chain O against O, 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 D0VWU8
Elsewhere: RCSB PDB 6KK9 · PDBe 6KK9 · UniProt D0VWU8

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