MolNFT v1 · #112460 · protein
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator wzzbsf - wild type
4ZM1 · Chain length determinant protein: “Shigella flexneri lipopolysaccharide O-antigen chain-length regulator wzzbsf - wild type”. X-ray diffraction, 1 ligand (MG), 8 pockets (best druggability 0.77). MolNFT v1 #112460 on GenesisL1: 3D…
- PDB
- 4ZM1
- Type
- protein
- Length
- 705 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chain length determinant protein
- UniProt
- P37792
- Ligands
- MG
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 60% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chain length determinant protein | protein | 235 | 59% helix, 11% strand | P37792 |
| B | Chain length determinant protein | protein | 238 | 59% helix, 11% strand | P37792 |
| C | Chain length determinant protein | protein | 232 | 61% helix, 11% strand | P37792 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 572 | 0.77 | 0.84 | 63 | empty |
| 2 | 979 | 0.73 | 0.77 | 81 | empty |
| 3 | 377 | 0.58 | 0.75 | 55 | MG |
| 4 | 66 | 0.33 | 0.77 | 11 | empty |
| 5 | 67 | 0.31 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2685 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 2521 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 36 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4ZM1 · Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type · the same entry in another collection · chain A against A, TM-score 1.00
- P37792 · AlphaFold monomer V2.0 prediction for chain length determinant protein (P37792) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 P37792
- Elsewhere: RCSB PDB 4ZM1 · PDBe 4ZM1 · UniProt P37792
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