Research workbench
The contribution of buried hydrogen bonds to protein stability: the crystal structures of two barnase mutants
Analyse The contribution of buried hydrogen bonds to protein stability: the crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BAO
- Type
- protein
- Length
- 322 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Barnase
- EC
- 3.1.27.-
- UniProt
- P00648
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Barnase (EC 3.1.27.-) | protein | 108 | 22% helix, 22% strand | P00648 |
| B, C | Barnase (EC 3.1.27.-) | protein | 107 | 22% helix, 22% strand | P00648 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.57 | 0.75 | 35 | empty |
| 2 | 61 | 0.30 | 0.75 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 247 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 205 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 67 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1BAO · The contribution of buried hydrogen bonds to protein stability: the crystal structures of… · the same entry in another collection · chain A against A, TM-score 1.00
- P00648 · AlphaFold monomer V2.0 prediction for ribonuclease (P00648) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00648
- Elsewhere: RCSB PDB 1BAO · PDBe 1BAO · UniProt P00648
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