MolNFT v1 · #104650 · protein
X-ray structure of the adduct formed between bovine pancreatic ribonuclease and trans-dimethylamine methylamine dichlorido PLATINUM(II)
4QH3 · Ribonuclease pancreatic: “X-ray structure of the adduct formed between bovine pancreatic ribonuclease and trans-dimethylamine…”. X-ray diffraction, 1 ligand (I83), 1 pocket (best druggability 0.24). MolNFT v1 #104650 on GenesisL1…
- PDB
- 4QH3
- Type
- protein
- Length
- 236 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
- Ligands
- I83
- Pockets
- 1 · best druggability 0.24
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 117 | 22% helix, 34% strand | P61823 |
| B | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 119 | 22% helix, 35% strand | P61823 |
Ligands and binding sites
- I83 · bis(chloranyl)-(dimethylamino)-(methylamino)platinum · ligand · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.24 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 341 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4QH3 · X-ray structure of the adduct formed between bovine pancreatic ribonuclease and… · 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 4QH3 · PDBe 4QH3 · UniProt P61823
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