MolNFT v1 · #186001 · protein
X-ray structure of the adduct obtained upon reaction of [cis- RH2(OCOCH3)2(OCOCF3)2] with RNase a (4)
7QPZ · Ribonuclease pancreatic: “X-ray structure of the adduct obtained upon reaction of [cis- RH2(OCOCH3)2(OCOCF3)2] with RNase a (4)”. X-ray diffraction, 2 ligands (F5I, F5T), 1 pocket (best druggability 0.27). MolNFT v1 #186001 on…
- PDB
- 7QPZ
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonuclease pancreatic
- EC
- 4.6.1.18
- UniProt
- P61823
- Ligands
- F5I, F5T
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonuclease pancreatic (EC 4.6.1.18) | protein | 124 | 21% helix, 35% strand | P61823 |
| B | Ribonuclease pancreatic (EC 4.6.1.18) | protein | 120 | 22% helix, 37% strand | P61823 |
Ligands and binding sites
- F5I · cis-bis(mi2-acetato-O, O')-tetraaquo-dirhodium(II) · ligand · 2 copies · chains A, B
- F5T · cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, O')-diaquo-dirhodium (II) · ligand · chains A
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 | 51 | 0.27 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 330 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7QPZ · X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with… · 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 7QPZ · PDBe 7QPZ · UniProt P61823
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