MolNFT v1 · #46675 · protein
Crystal structure of a DUF1611 family protein (AVA_3511) from anabaena variabilis atcc 29413 at 2.30 a resolution
2OBN · Hypothetical protein: “Crystal structure of a DUF1611 family protein (AVA_3511) from anabaena variabilis atcc 29413 at 2.30 a…”. X-ray diffraction, 1 ligand (PO4), 17 pockets (best druggability 0.74). MolNFT v1 #46675 on GenesisL1…
- PDB
- 2OBN
- Type
- protein
- Length
- 1,376 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q3M7B8
- Ligands
- PO4
- Pockets
- 17 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 342 | 39% helix, 16% strand | Q3M7B8 |
| B | Hypothetical protein | protein | 343 | 38% helix, 16% strand | Q3M7B8 |
| C | Hypothetical protein | protein | 345 | 38% helix, 16% strand | Q3M7B8 |
| D | Hypothetical protein | protein | 346 | 39% helix, 16% strand | Q3M7B8 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
- PG4 · Tetraethylene glycol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 792 | 0.74 | 0.79 | 76 | PO4, PG4 |
| 2 | 916 | 0.74 | 0.78 | 81 | PG4, PO4 |
| 3 | 736 | 0.74 | 0.79 | 65 | PO4, PG4 |
| 4 | 666 | 0.70 | 0.78 | 66 | PO4 |
| 5 | 150 | 0.60 | 0.84 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1849 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1747 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 183 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 2OBN · Crystal structure of a duf1611 family protein (ava_3511) from anabaena variabilis atcc… · 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 Q3M7B8
- Elsewhere: RCSB PDB 2OBN · PDBe 2OBN · UniProt Q3M7B8
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