MolNFT v1 · #74948 · protein
Crystal structure of PBP3 complexed with ceftazidime
3PBO · Penicillin-binding protein 3: “Crystal structure of PBP3 complexed with ceftazidime”. X-ray diffraction, 1 ligand (CAZ), 3 pockets (best druggability 0.64). MolNFT v1 #74948 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3PBO
- Type
- protein
- Length
- 473 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin-binding protein 3
- UniProt
- Q51504
- Ligands
- CAZ
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin-binding protein 3 | protein | 473 | 36% helix, 23% strand | Q51504 |
Ligands and binding sites
- CAZ · Acylated ceftazidime · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 402 | 0.64 | 0.78 | 38 | CAZ |
| 2 | 143 | 0.50 | 0.79 | 31 | empty |
| 3 | 70 | 0.47 | 0.83 | 20 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3PBO · Crystal structure of PBP3 complexed with ceftazidime · 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 Q51504
- Elsewhere: RCSB PDB 3PBO · PDBe 3PBO · UniProt Q51504
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