MolNFT v1 · #177865 · protein

Mycobacterium tuberculosis HIGA2 (form II)

7EWD · Putative antitoxin HIGA2: “Mycobacterium tuberculosis HIGA2 (form II)”. X-ray diffraction, 4 pockets (best druggability 0.55). MolNFT v1 #177865 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7EWD
Type: protein
Length: 289 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative antitoxin HIGA2
UniProt: O53467
Pockets: 4 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative antitoxin HIGA2	protein	75	52% helix, 15% strand	O53467
C	Putative antitoxin HIGA2	protein	71	49% helix, 14% strand	O53467
D	Putative antitoxin HIGA2	protein	68	49% helix, 15% strand	O53467

Pockets

4 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	123	0.55	0.82	23	empty
2	106	0.49	0.81	21	empty
3	75	0.41	0.80	15	empty
4	74	0.27	0.72	15	empty

Interfaces

6 interfaces between chains.

A–B · 1288 Å² buried · 28 hydrogen bonds · protein-protein
C–D · 1196 Å² buried · 22 hydrogen bonds · protein-protein
B–C · 255 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 162 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 99 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

7EWD · Mycobacterium tuberculosis HigA2 (Form II) · the same entry in another collection · chain A against A, TM-score 1.00
O53467 · AlphaFold monomer V2.0 prediction for putative antitoxin HIGA2 (O53467) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 O53467
Elsewhere: RCSB PDB 7EWD · PDBe 7EWD · UniProt O53467

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