MolNFT v1 · #103369 · protein
Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I
4PEQ · Ribonuclease pancreatic: “Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I”. X-ray diffraction, 8 pockets (best druggability 0.85). MolNFT v1 #103369 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4PEQ
- Type
- protein
- Length
- 1,156 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonuclease pancreatic; RIBONUCLEASE/ANGIOGENIN inhibitor 1
- EC
- 3.1.27.5
- UniProt
- P61823, Q3SZN8
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 124 | 21% helix, 35% strand | P61823 |
| B | RIBONUCLEASE/ANGIOGENIN inhibitor 1 | protein | 453 | 44% helix, 13% strand | Q3SZN8 |
| C | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 123 | 21% helix, 36% strand | P61823 |
| D | RIBONUCLEASE/ANGIOGENIN inhibitor 1 | protein | 456 | 43% helix, 13% strand | Q3SZN8 |
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1178 | 0.85 | 0.86 | 142 | empty |
| 2 | 249 | 0.70 | 0.86 | 43 | empty |
| 3 | 270 | 0.69 | 0.84 | 37 | empty |
| 4 | 228 | 0.66 | 0.84 | 46 | empty |
| 5 | 100 | 0.61 | 0.88 | 29 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1565 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1538 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 470 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 313 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 185 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4PEQ · Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I · 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
- Every structure of UniProt Q3SZN8
- Elsewhere: RCSB PDB 4PEQ · PDBe 4PEQ · UniProt P61823 · UniProt Q3SZN8
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