MolNFT v1 · #108794 · protein
Crystal structure of flagellar accessory protein flah from methanocaldococcus jannaschii
4WIA · Putative flagella-related protein H: “Crystal structure of flagellar accessory protein flah from methanocaldococcus jannaschii”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.80). MolNFT v1 #108794 on GenesisL1…
- PDB
- 4WIA
- Type
- protein
- Length
- 684 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative flagella-related protein H
- UniProt
- Q58309
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative flagella-related protein H | protein | 229 | 35% helix, 28% strand | Q58309 |
| C | Putative flagella-related protein H | protein | 226 | 36% helix, 29% strand | Q58309 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 970 | 0.80 | 0.81 | 103 | SO4, GOL |
| 2 | 194 | 0.60 | 0.82 | 36 | empty |
| 3 | 133 | 0.43 | 0.76 | 29 | SO4 |
| 4 | 128 | 0.42 | 0.76 | 32 | SO4 |
| 5 | 52 | 0.38 | 0.80 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 636 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 534 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 436 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 4WIA · Crystal structure of flagellar accessory protein FlaH from Methanocaldococcus jannaschii · the same entry in another collection · chain A against A, TM-score 1.00
- Q58309 · AlphaFold monomer V2.0 prediction for putative flagella-related protein H (Q58309) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 Q58309
- Elsewhere: RCSB PDB 4WIA · PDBe 4WIA · UniProt Q58309
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