MolNFT v1 · #15183 · protein
Structure of semet penicillin binding protein 2A from methicillin resistant staphylococcus aureus strain 27R (trigonal form) at 2.45 a resolution.
1MWR · Penicillin-binding protein 2A: “Structure of semet penicillin binding protein 2A from methicillin resistant staphylococcus aureus strain 27R…”. X-ray diffraction, 2 ligands (CD, CL), 15 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 1MWR
- Type
- protein
- Length
- 1,253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin-binding protein 2A
- UniProt
- Q93IC2
- Ligands
- CD, CL
- Pockets
- 15 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin-binding protein 2A | protein | 624 | 33% helix, 25% strand | Q93IC2 |
| B | Penicillin-binding protein 2A | protein | 629 | 33% helix, 24% strand | Q93IC2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 979 | 0.77 | 0.79 | 109 | CL, CD |
| 2 | 426 | 0.62 | 0.77 | 47 | empty |
| 3 | 263 | 0.58 | 0.79 | 30 | empty |
| 4 | 207 | 0.53 | 0.78 | 28 | empty |
| 5 | 96 | 0.53 | 0.84 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1432 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 1MWR · Structure of SeMet Penicillin binding protein 2a from methicillin resistant… · 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 Q93IC2
- Elsewhere: RCSB PDB 1MWR · PDBe 1MWR · UniProt Q93IC2
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