MolNFT v1 · #1440 · protein

Streptococcal pyrogenic exotoxin A1

1B1Z · Protein (toxin): “Streptococcal pyrogenic exotoxin A1”. X-ray diffraction, 8 pockets (best druggability 0.88). MolNFT v1 #1440 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1B1Z
Type: protein
Length: 872 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (toxin)
UniProt: P62560
Pockets: 8 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Protein (toxin)	protein	218	21% helix, 39% strand	P62560

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	1079	0.88	0.90	115	empty
2	238	0.57	0.79	23	empty
3	284	0.56	0.76	23	empty
4	60	0.51	0.86	15	empty
5	54	0.47	0.85	15	empty

Interfaces

6 interfaces between chains.

A–B · 740 Å² buried · 5 hydrogen bonds · protein-protein
C–D · 703 Å² buried · 8 hydrogen bonds · protein-protein
A–D · 652 Å² buried · 12 hydrogen bonds · protein-protein
B–C · 652 Å² buried · 11 hydrogen bonds · protein-protein
A–C · 268 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1B1Z · Streptococcal pyrogenic exotoxin A1 · 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 P62560
Elsewhere: RCSB PDB 1B1Z · PDBe 1B1Z · UniProt P62560

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