MolNFT v1 · #87928 · protein
Structure of lytic transglycosylase mltc from escherichia COLI in complex with tetrasaccharide at 2.9 a resolution.
4CFO: “Structure of lytic transglycosylase mltc from escherichia COLI in complex with tetrasaccharide at 2.9 a…”. X-ray diffraction, 3 ligands (NM9, NM6, NAG), 10 pockets (best druggability 0.48). MolNFT v1 #87928 on GenesisL1: 3D…
- PDB
- 4CFO
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mltc
- UniProt
- C5A0N2
- Ligands
- NM9, NM6, NAG
- Pockets
- 10 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mltc | protein | 327 | 49% helix, 13% strand | C5A0N2 |
Ligands and binding sites
- NM9 · methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside · ligand · 2 copies · chains A, B
- NM6 · 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 161 | 0.48 | 0.77 | 25 | NM9, NAG |
| 2 | 164 | 0.47 | 0.76 | 24 | NM9, NAG |
| 3 | 203 | 0.46 | 0.75 | 25 | empty |
| 4 | 60 | 0.46 | 0.83 | 14 | empty |
| 5 | 58 | 0.46 | 0.84 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 622 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4CFO · Structure of Lytic Transglycosylase MltC from Escherichia coli in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- C5A0N2 · AlphaFold monomer V2.0 prediction for membrane-bound lytic murein transglycosylase C… · 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 C5A0N2
- Elsewhere: RCSB PDB 4CFO · PDBe 4CFO · UniProt C5A0N2
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