MolNFT v1 · #57314 · protein
The oxidoreductase NMDSBA1 from N. meningitidis
3A3T · THIOL:DISULFIDE interchange protein dsba: “The oxidoreductase NMDSBA1 from N. meningitidis”. X-ray diffraction, 9 pockets (best druggability 0.70). MolNFT v1 #57314 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3A3T
- Type
- protein
- Length
- 1,158 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein dsba
- EC
- 5.3.4.1
- UniProt
- Q9K189
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | THIOL:DISULFIDE interchange protein dsba (EC 5.3.4.1) | protein | 193 | 51% helix, 14% strand | Q9K189 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 779 | 0.70 | 0.76 | 79 | empty |
| 2 | 535 | 0.63 | 0.75 | 40 | empty |
| 3 | 452 | 0.61 | 0.76 | 52 | empty |
| 4 | 251 | 0.51 | 0.75 | 39 | empty |
| 5 | 225 | 0.49 | 0.75 | 35 | empty |
Interfaces
6 interfaces between chains.
- E–F · 399 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 392 Ų buried · 3 hydrogen bonds · protein-protein
- B–E · 281 Ų buried · 3 hydrogen bonds · protein-protein
- D–F · 207 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 161 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3A3T · The oxidoreductase NmDsbA1 from N. meningitidis · 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 Q9K189
- Elsewhere: RCSB PDB 3A3T · PDBe 3A3T · UniProt Q9K189
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