MolNFT v1 · #51271 · protein
Crystal structure of PBP1A from drug-resistant strain 5204 from streptococcus pneumoniae
2V2F · Penicillin binding protein 1A: “Crystal structure of PBP1A from drug-resistant strain 5204 from streptococcus pneumoniae”. X-ray diffraction, 1 ligand (BA), 3 pockets (best druggability 0.59). MolNFT v1 #51271 on GenesisL1: 3D…
- PDB
- 2V2F
- Type
- protein
- Length
- 381 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin binding protein 1A
- EC
- 2.4.1.129, 3.4.16.4
- UniProt
- Q9RET4
- Ligands
- BA
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin binding protein 1A (EC 2.4.1.129) | protein | 15 | 0% helix, 47% strand | Q9RET4 |
| F | Penicillin binding protein 1A (EC 3.4.16.4) | protein | 366 | 34% helix, 21% strand | Q9RET4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 342 | 0.59 | 0.77 | 46 | MES |
| 2 | 113 | 0.43 | 0.77 | 17 | empty |
| 3 | 51 | 0.28 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–F · 683 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 2V2F · Crystal structure of PBP1a from drug-resistant strain 5204 from Streptococcus pneumoniae · 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 Q9RET4
- Elsewhere: RCSB PDB 2V2F · PDBe 2V2F · UniProt Q9RET4
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