MolNFT v1 · #32315 · protein
Ofloxacin-like antibiotics inhibit pneumococcal cell wall degrading virulence factors
2BML · Autolysin: “Ofloxacin-like antibiotics inhibit pneumococcal cell wall degrading virulence factors”. X-ray diffraction, 2 ligands (XED, SO4). MolNFT v1 #32315 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BML
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autolysin
- EC
- 3.5.1.28
- UniProt
- P06653
- Ligands
- XED, SO4
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Autolysin (EC 3.5.1.28) | protein | 125 | 0% helix, 42% strand | P06653 |
| B | Autolysin (EC 3.5.1.28) | protein | 126 | 0% helix, 44% strand | P06653 |
Ligands and binding sites
- XED · Dextrofloxacine · ligand · chains B
- SO4 · Sulfate ion · ion · 3 copies · chains B, A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- P6G · Hexaethylene glycol · additive · 2 copies · chains B
- PG4 · Tetraethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 1006 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2BML · Ofloxacin-like antibiotics inhibit pneumococcal cell wall degrading virulence factors · the same entry in another collection · chain A against A, TM-score 1.00
- P06653 · AlphaFold monomer V2.0 prediction for autolysin (P06653) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P06653
- Elsewhere: RCSB PDB 2BML · PDBe 2BML · UniProt P06653
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