MolNFT v1 · #79877 · protein
The crystal structure of penicillin binding protein from bacillus halodurans
3TG9 · Penicillin-binding protein: “The crystal structure of penicillin binding protein from bacillus halodurans”. X-ray diffraction, 4 pockets (best druggability 0.80). MolNFT v1 #79877 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3TG9
- Type
- protein
- Length
- 648 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin-binding protein
- UniProt
- Q9KAM0
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin-binding protein | protein | 322 | 33% helix, 23% strand | Q9KAM0 |
| B | Penicillin-binding protein | protein | 326 | 33% helix, 21% strand | Q9KAM0 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.80 | 0.96 | 31 | empty |
| 2 | 153 | 0.67 | 0.88 | 55 | empty |
| 3 | 170 | 0.66 | 0.86 | 44 | empty |
| 4 | 101 | 0.38 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1066 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3TG9 · The crystal structure of penicillin binding protein from Bacillus halodurans · 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 Q9KAM0
- Elsewhere: RCSB PDB 3TG9 · PDBe 3TG9 · UniProt Q9KAM0
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