MolNFT v1 · #102914 · protein
Crystal structure of mltf from pseudomonas aeruginosa complexed with bulgecin and muropeptide
4P0G · Membrane-bound lytic murein transglycosylase F: “Crystal structure of mltf from pseudomonas aeruginosa complexed with bulgecin and muropeptide”. X-ray diffraction, 5 ligands (AMU, BLG, NAG), 5 pockets (best druggability 0.70).…
- PDB
- 4P0G
- Type
- protein
- Length
- 429 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane-bound lytic murein transglycosylase F
- EC
- 4.2.2.-
- UniProt
- Q9HXN1
- Ligands
- AMU, BLG, NAG, MG, CL
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Membrane-bound lytic murein transglycosylase F (EC 4.2.2.-) | protein | 429 | 51% helix, 15% strand | Q9HXN1 |
Ligands and binding sites
- AMU · N-acetyl-beta-muramic acid · ligand · chains A
- BLG · 4-O-(4-O-sulfonyl-N-acetylglucosamininyl)-5-methylhydroxy-L-proline-taurine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.70 | 0.91 | 34 | MG |
| 2 | 388 | 0.59 | 0.76 | 41 | CL |
| 3 | 131 | 0.45 | 0.76 | 24 | empty |
| 4 | 90 | 0.44 | 0.80 | 22 | empty |
| 5 | 163 | 0.43 | 0.74 | 25 | NAG, BLG |
Compared structures
- 4P0G · Crystal structure of MltF from Pseudomonas aeruginosa complexed with bulgecin and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HXN1 · AlphaFold monomer V2.0 prediction for membrane-bound lytic murein transglycosylase F… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9HXN1
- Elsewhere: RCSB PDB 4P0G · PDBe 4P0G · UniProt Q9HXN1
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