Research workbench
Structure of a novel autonomous cohesin protein from ruminococcus flavefaciens
Analyse Structure of a novel autonomous cohesin protein from ruminococcus flavefaciens in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4N2O
- Type
- protein
- Length
- 1,535 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autonomous cohesin
- Ligands
- CL
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 8 distinct chains · 14% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Autonomous cohesin | protein | 195 | 18% helix, 39% strand | — |
| B | Autonomous cohesin | protein | 193 | 13% helix, 40% strand | — |
| C | Autonomous cohesin | protein | 190 | 14% helix, 41% strand | — |
| D | Autonomous cohesin | protein | 191 | 14% helix, 40% strand | — |
| E | Autonomous cohesin | protein | 190 | 14% helix, 41% strand | — |
| F | Autonomous cohesin | protein | 193 | 13% helix, 40% strand | — |
| G | Autonomous cohesin | protein | 192 | 14% helix, 40% strand | — |
| H | Autonomous cohesin | protein | 191 | 14% helix, 40% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.76 | 0.99 | 27 | empty |
| 2 | 681 | 0.73 | 0.79 | 68 | empty |
| 3 | 65 | 0.72 | 0.97 | 24 | empty |
| 4 | 657 | 0.71 | 0.79 | 71 | CL |
| 5 | 793 | 0.70 | 0.76 | 80 | empty |
Interfaces
14 interfaces between chains.
- G–H · 1470 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1449 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1420 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 1378 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 496 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 88 modified (engineered).
Compared structures
- 4N2O · Structure of a novel autonomous cohesin protein from Ruminococcus flavefaciens · 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
- Elsewhere: RCSB PDB 4N2O · PDBe 4N2O
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