Research workbench
Crystal structure of CTPB(S309A) in complex with a peptide having a val-pro-ala C-terminus
Analyse Crystal structure of CTPB(S309A) in complex with a peptide having a val-pro-ala… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C2G
- Type
- protein
- Length
- 441 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxy-terminal processing protease ctpb; PEPTIDE1
- EC
- 3.4.21.102
- UniProt
- O35002
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxy-terminal processing protease ctpb (EC 3.4.21.102) | protein | 433 | 34% helix, 24% strand | O35002 |
| B | PEPTIDE1 | protein | 4 | 0% helix, 50% strand | — |
| C | Carboxy-terminal processing protease ctpb (EC 3.4.21.102) | protein | 4 | 0% helix, 50% strand | O35002 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.65 | 0.75 | 56 | empty |
| 2 | 181 | 0.46 | 0.75 | 26 | empty |
| 3 | 102 | 0.40 | 0.76 | 18 | empty |
| 4 | 61 | 0.35 | 0.78 | 11 | empty |
| 5 | 71 | 0.35 | 0.76 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–C · 338 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 330 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4C2G · Crystal structure of CtpB(S309A) in complex with a peptide having a Val-Pro-Ala C-terminus · 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 C against A, TM-score 0.96
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 4C2G · PDBe 4C2G · UniProt O35002
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