MolNFT v1 · #47167 · protein
Structure of a synthetic, non-natural analogue of RNase a: [N71K(ADE), D83A]RNASE a
2OQF · Ribonuclease pancreatic: “Structure of a synthetic, non-natural analogue of RNase a: [N71K(ADE), D83A]RNASE a”. X-ray diffraction, 6 pockets (best druggability 0.74). MolNFT v1 #47167 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2OQF
- Type
- protein
- Length
- 494 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonuclease pancreatic
- EC
- 3.1.27.5
- UniProt
- P61823
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 124 | 21% helix, 36% strand | P61823 |
| D | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 122 | 21% helix, 34% strand | P61823 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 456 | 0.74 | 0.83 | 53 | empty |
| 2 | 312 | 0.66 | 0.81 | 46 | empty |
| 3 | 216 | 0.62 | 0.82 | 42 | empty |
| 4 | 155 | 0.48 | 0.78 | 36 | empty |
| 5 | 123 | 0.47 | 0.78 | 26 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1103 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 962 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 461 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 214 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 4 modified (disulfide, nonstandard).
Compared structures
- 2OQF · Structure of a synthetic, non-natural analogue of RNase A: [N71K(Ade), D83A]RNase A · 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 P61823
- Elsewhere: RCSB PDB 2OQF · PDBe 2OQF · UniProt P61823
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