Research workbench
Disulfide isomerase (dsbp) from multidrug resistance INCA/C transferable plasmid in oxidized state (P212121 space group)
Analyse Disulfide isomerase (dsbp) from multidrug resistance INCA/C transferable… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ML1
- Type
- protein
- Length
- 811 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dsbp
- EC
- 5.3.4.1
- UniProt
- A6GV51
- Pockets
- 8 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dsbp (EC 5.3.4.1) | protein | 202 | 30% helix, 29% strand | A6GV51 |
| B | Dsbp (EC 5.3.4.1) | protein | 204 | 30% helix, 30% strand | A6GV51 |
| C | Dsbp (EC 5.3.4.1) | protein | 202 | 31% helix, 30% strand | A6GV51 |
| D | Dsbp (EC 5.3.4.1) | protein | 203 | 30% helix, 30% strand | A6GV51 |
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 | 1046 | 0.87 | 0.88 | 174 | empty |
| 2 | 258 | 0.75 | 0.89 | 54 | empty |
| 3 | 221 | 0.58 | 0.80 | 39 | empty |
| 4 | 202 | 0.54 | 0.78 | 36 | empty |
| 5 | 96 | 0.51 | 0.83 | 21 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2173 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 2158 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 1409 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 1379 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 376 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4ML1 · Disulfide isomerase (DsbP) from multidrug resistance IncA/C transferable plasmid in… · 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 A6GV51
- Elsewhere: RCSB PDB 4ML1 · PDBe 4ML1 · UniProt A6GV51
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