Research workbench
Disulfide isomerase from multidrug resistance INCA/C related integrative and conjugative elements in oxidized state (P21 space group)
Analyse Disulfide isomerase from multidrug resistance INCA/C related integrative and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MLY
- Type
- protein
- Length
- 800 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dsbp
- EC
- 5.3.4.1
- UniProt
- D0FZX2
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dsbp (EC 5.3.4.1) | protein | 196 | 34% helix, 29% strand | D0FZX2 |
| B, D | Dsbp (EC 5.3.4.1) | protein | 201 | 29% helix, 30% strand | D0FZX2 |
| C | Dsbp (EC 5.3.4.1) | protein | 202 | 28% helix, 30% strand | D0FZX2 |
Ligands and binding sites
- BU2 · 1,3-butanediol · additive · 3 copies · chains B, D, C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.82 | 0.88 | 93 | BU2 |
| 2 | 196 | 0.70 | 0.88 | 41 | BU2 |
| 3 | 172 | 0.69 | 0.88 | 40 | BU2 |
| 4 | 99 | 0.53 | 0.83 | 22 | empty |
| 5 | 192 | 0.52 | 0.78 | 33 | empty |
Interfaces
6 interfaces between chains.
- A–D · 2212 Ų buried · 42 hydrogen bonds · protein-protein
- B–C · 2148 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 1507 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1283 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 442 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 4MLY · Disulfide isomerase from multidrug resistance IncA/C related integrative and conjugative… · 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 D0FZX2
- Elsewhere: RCSB PDB 4MLY · PDBe 4MLY · UniProt D0FZX2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.