Research workbench
X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate
Analyse X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FL1
- Type
- protein
- Length
- 242 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
- CGP, GLC, SO4
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 118 | 22% helix, 37% strand | P61823 |
| B | Ribonuclease pancreatic (EC 3.1.27.5) | protein | 124 | 23% helix, 35% strand | P61823 |
Ligands and binding sites
- CGP · 2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate · ligand · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 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 | 233 | 0.47 | 0.74 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1468 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 4 modified (disulfide, alkylation).
Compared structures
- 3FL1 · X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of… · 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 3FL1 · PDBe 3FL1 · UniProt P61823
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