MolNFT v1 · #20476 · protein
Structure of protein of unknown function from bacillus stearothermophilus
1RFZ · Hypothetical protein APC35681: “Structure of protein of unknown function from bacillus stearothermophilus”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.79). MolNFT v1 #20476 on GenesisL1: 3D structure, binding…
- PDB
- 1RFZ
- Type
- protein
- Length
- 643 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein APC35681
- UniProt
- P84133
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein APC35681 | protein | 164 | 68% helix, 0% strand | P84133 |
| C | Hypothetical protein APC35681 | protein | 161 | 65% helix, 0% strand | P84133 |
| D | Hypothetical protein APC35681 | protein | 154 | 69% helix, 0% strand | P84133 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.79 | 0.86 | 64 | SO4 |
| 2 | 416 | 0.67 | 0.80 | 40 | empty |
| 3 | 544 | 0.67 | 0.78 | 50 | empty |
| 4 | 356 | 0.61 | 0.77 | 34 | SO4 |
| 5 | 274 | 0.58 | 0.79 | 30 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1491 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 1439 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 897 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 867 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 444 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 1RFZ · Structure of Protein of Unknown Function from Bacillus stearothermophilus · 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 P84133
- Elsewhere: RCSB PDB 1RFZ · PDBe 1RFZ · UniProt P84133
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