MolNFT v1 · #24423 · protein
Crystal structure of a dimeric form of streptococcal pyrogenic exotoxin a (SPEA1).
1UUP · Exotoxin type a: “Crystal structure of a dimeric form of streptococcal pyrogenic exotoxin a (SPEA1).”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.81). MolNFT v1 #24423 on GenesisL1: 3D structure, binding sites…
- PDB
- 1UUP
- Type
- protein
- Length
- 884 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exotoxin type a
- UniProt
- P08095
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Exotoxin type a | protein | 221 | 21% helix, 38% strand | P08095 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 767 | 0.81 | 0.84 | 56 | empty |
| 2 | 1075 | 0.80 | 0.81 | 78 | empty |
| 3 | 434 | 0.75 | 0.84 | 51 | empty |
| 4 | 413 | 0.74 | 0.84 | 48 | empty |
| 5 | 304 | 0.58 | 0.77 | 27 | empty |
Interfaces
6 interfaces between chains.
- B–C · 882 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 829 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 734 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 721 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 312 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1UUP · Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SpeA1). · 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 P08095
- Elsewhere: RCSB PDB 1UUP · PDBe 1UUP · UniProt P08095
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