MolNFT v1 · #74244 · protein
Semi-synthetic ribonuclease S: para-cyano-phenylalanine at position 8
3OQY · Ribonuclease pancreatic: “Semi-synthetic ribonuclease S: para-cyano-phenylalanine at position 8”. X-ray diffraction, 2 pockets (best druggability 0.37). MolNFT v1 #74244 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OQY
- Type
- protein
- Length
- 234 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
- 2 · best druggability 0.37
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| b | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 15 | 60% helix, 7% strand | P61823 |
| B | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 103 | 17% helix, 42% strand | P61823 |
| a | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 14 | 64% helix, 7% strand | P61823 |
| A | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 102 | 17% helix, 42% strand | P61823 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.37 | 0.80 | 12 | empty |
| 2 | 57 | 0.26 | 0.73 | 16 | empty |
Interfaces
4 interfaces between chains.
- b–B · 702 Ų buried · 14 hydrogen bonds · protein-protein
- a–A · 695 Ų buried · 14 hydrogen bonds · protein-protein
- B–a · 188 Ų buried · 2 hydrogen bonds · protein-protein
- B–A · 173 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 2 modified (disulfide, nonstandard).
Compared structures
- 3OQY · Semi-synthetic ribonuclease S: para-cyano-phenylalanine at position 8 · the same entry in another collection · chain b against b, 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 3OQY · PDBe 3OQY · UniProt P61823
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