MolNFT v1 · #62961 · protein
Crystal structure of ribonuclease a in 70% hexanediol
3EV1 · Ribonuclease pancreatic: “Crystal structure of ribonuclease a in 70% hexanediol”. X-ray diffraction, 2 pockets (best druggability 0.45). MolNFT v1 #62961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EV1
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- 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 0.45
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 122 | 21% helix, 36% strand | P61823 |
| B | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 124 | 21% helix, 34% strand | P61823 |
Ligands and binding sites
- HEZ · Hexane-1,6-diol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 183 | 0.45 | 0.75 | 28 | empty |
| 2 | 58 | 0.39 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 309 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3EV1 · Crystal Structure of Ribonuclease A in 70% Hexanediol · 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 3EV1 · PDBe 3EV1 · UniProt P61823
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