Research workbench
Crystal structure of the ctpb R168A mutant present in an active conformation
Analyse Crystal structure of the ctpb R168A mutant present in an active conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C2F
- Type
- protein
- Length
- 443 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxy-terminal processing protease ctpb; PEPTIDE1; PEPTIDE2
- EC
- 3.4.21.102
- UniProt
- O35002
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxy-terminal processing protease ctpb (EC 3.4.21.102) | protein | 433 | 32% helix, 24% strand | O35002 |
| B | PEPTIDE1 | protein | 3 | 0% helix, 33% strand | — |
| C | PEPTIDE2 | protein | 7 | 0% helix, 14% strand | — |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 764 | 0.70 | 0.76 | 77 | empty |
| 2 | 107 | 0.44 | 0.78 | 14 | empty |
| 3 | 93 | 0.35 | 0.74 | 13 | empty |
| 4 | 61 | 0.34 | 0.77 | 18 | empty |
| 5 | 65 | 0.31 | 0.75 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–C · 491 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 258 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4C2F · Crystal structure of the CtpB R168A mutant present in an active conformation · the same entry in another collection · chain A against A, TM-score 1.00
- O35002 · AlphaFold monomer V2.0 prediction for carboxy-terminal processing protease ctpb (O35002) · a predicted model of the same protein · chain A against A, TM-score 0.79
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 O35002
- Elsewhere: RCSB PDB 4C2F · PDBe 4C2F · UniProt O35002
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