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Apo crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R)
Analyse Apo crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6C3K
- Type
- protein
- Length
- 716 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin-binding protein 4
- UniProt
- A0A0H2WY27
- Ligands
- ZN, NA, CL
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin-binding protein 4 | protein | 359 | 33% helix, 25% strand | A0A0H2WY27 |
| B | Penicillin-binding protein 4 | protein | 357 | 32% helix, 26% strand | A0A0H2WY27 |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.66 | 0.76 | 45 | empty |
| 2 | 224 | 0.57 | 0.79 | 36 | empty |
| 3 | 174 | 0.52 | 0.79 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 205 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6C3K · Apo crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A… · 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 A0A0H2WY27
- Elsewhere: RCSB PDB 6C3K · PDBe 6C3K · UniProt A0A0H2WY27
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