MolNFT v1 · #112464 · protein
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator wzzbsf - A107P mutant
4ZM5 · Chain length determinant protein: “Shigella flexneri lipopolysaccharide O-antigen chain-length regulator wzzbsf - A107P mutant”. X-ray diffraction, 2 ligands (MG, CL), 6 pockets (best druggability 0.82). MolNFT v1 #112464 on…
- PDB
- 4ZM5
- Type
- protein
- Length
- 694 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chain length determinant protein
- UniProt
- P37792
- Ligands
- MG, CL
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chain length determinant protein | protein | 230 | 59% helix, 11% strand | P37792 |
| B | Chain length determinant protein | protein | 237 | 59% helix, 11% strand | P37792 |
| C | Chain length determinant protein | protein | 227 | 59% helix, 11% strand | P37792 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.82 | 0.83 | 115 | empty |
| 2 | 318 | 0.54 | 0.75 | 35 | empty |
| 3 | 171 | 0.44 | 0.75 | 29 | empty |
| 4 | 86 | 0.34 | 0.75 | 16 | empty |
| 5 | 59 | 0.27 | 0.73 | 19 | empty |
Interfaces
2 interfaces between chains.
- B–C · 2578 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 2358 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4ZM5 · Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P… · 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 4ZM5 · PDBe 4ZM5 · UniProt P37792
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