MolNFT v1 · #94013 · protein
2.4 a crystal structure of E. COLI mlte-E64Q with bound chitopentaose
4HJY · Endo-type membrane-bound lytic murein transglycosylase a: “2.4 a crystal structure of E. COLI mlte-E64Q with bound chitopentaose”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.39). MolNFT v1 #94013 on GenesisL1…
- PDB
- 4HJY
- Type
- protein
- Length
- 366 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-type membrane-bound lytic murein transglycosylase a
- EC
- 4.2.2.-
- UniProt
- P0C960
- Ligands
- NAG
- Pockets
- 3 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-type membrane-bound lytic murein transglycosylase a (EC 4.2.2.-) | protein | 183 | 65% helix, 2% strand | P0C960 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.39 | 0.77 | 18 | NAG |
| 2 | 85 | 0.37 | 0.76 | 18 | NAG |
| 3 | 51 | 0.32 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 737 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4HJY · 2.4 A Crystal structure of E. coli MltE-E64Q with bound chitopentaose · the same entry in another collection · chain A against A, TM-score 1.00
- P0C960 · AlphaFold monomer V2.0 prediction for endo-type membrane-bound lytic murein… · a predicted model of the same protein · 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 P0C960
- Elsewhere: RCSB PDB 4HJY · PDBe 4HJY · UniProt P0C960
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