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Crystal structure of borrelia burgdorferi pur-alpha

Analyse Crystal structure of borrelia burgdorferi pur-alpha in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3NM7
Type: protein
Length: 309 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: O51076
Ligands: MG
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 4 distinct chains · 28% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	84	25% helix, 42% strand	O51076
B	Uncharacterized protein	protein	74	30% helix, 45% strand	O51076
C	Uncharacterized protein	protein	75	27% helix, 47% strand	O51076
D	Uncharacterized protein	protein	76	29% helix, 46% strand	O51076

Ligands and binding sites

MG · Magnesium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	312	0.66	0.82	47	empty
2	85	0.32	0.74	15	empty

Interfaces

5 interfaces between chains.

A–B · 2076 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 2043 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 624 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 198 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 187 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3NM7 · Crystal Structure of Borrelia burgdorferi Pur-alpha · 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 O51076
Elsewhere: RCSB PDB 3NM7 · PDBe 3NM7 · UniProt O51076

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