Research workbench
Staphylococcus epidermidis tcar in complex with penicillin G
Analyse Staphylococcus epidermidis tcar in complex with penicillin G in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KP2
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator tcar
- UniProt
- Q5HLN6
- Ligands
- PNN
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator tcar | protein | 137 | 78% helix, 3% strand | Q5HLN6 |
| B | Transcriptional regulator tcar | protein | 137 | 74% helix, 5% strand | Q5HLN6 |
Ligands and binding sites
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 | 1194 | 0.86 | 0.87 | 99 | PNN |
| 2 | 69 | 0.32 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 3065 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 3KP2 · Staphylococcus epidermidis TcaR in complex with penicillin G · 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 Q5HLN6
- Elsewhere: RCSB PDB 3KP2 · PDBe 3KP2 · UniProt Q5HLN6
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