MolNFT v1 · #78951 · protein
Crystal structure of a multidomain protein including DUF1735 (BACOVA_03322) from bacteroides ovatus at 2.80 a resolution
3SOT: “Crystal structure of a multidomain protein including DUF1735 (BACOVA_03322) from bacteroides ovatus at 2.80 a…”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #78951 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3SOT
- Type
- protein
- Length
- 1,731 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidomain protein including DUF1735
- UniProt
- A7LZP6
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 5 distinct chains · 10% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Multidomain protein including DUF1735 | protein | 298 | 9% helix, 50% strand | A7LZP6 |
| B | Multidomain protein including DUF1735 | protein | 291 | 10% helix, 50% strand | A7LZP6 |
| C | Multidomain protein including DUF1735 | protein | 293 | 10% helix, 49% strand | A7LZP6 |
| E | Multidomain protein including DUF1735 | protein | 296 | 9% helix, 50% strand | A7LZP6 |
| F | Multidomain protein including DUF1735 | protein | 255 | 11% helix, 48% strand | A7LZP6 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 857 | 0.73 | 0.78 | 86 | empty |
| 2 | 804 | 0.73 | 0.78 | 77 | empty |
| 3 | 846 | 0.72 | 0.77 | 81 | empty |
| 4 | 745 | 0.72 | 0.78 | 78 | empty |
| 5 | 739 | 0.72 | 0.78 | 69 | empty |
Interfaces
10 interfaces between chains.
- A–B · 918 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 862 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 857 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 853 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 826 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 60 modified (engineered).
Compared structures
- 3SOT · Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from… · 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 A7LZP6
- Elsewhere: RCSB PDB 3SOT · PDBe 3SOT · UniProt A7LZP6
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