Research workbench
Crystal structure of P. furiosus periplasmic binding protein MODA/WTPA with bound tungstate
Analyse Crystal structure of P. furiosus periplasmic binding protein MODA/WTPA with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CG1
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0100 protein PF0080
- UniProt
- Q8U4K5
- Ligands
- WO4
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | UPF0100 protein PF0080 | protein | 293 | 41% helix, 24% strand | Q8U4K5 |
Ligands and binding sites
- WO4 · Tungstate(vi)ion · ion · 2 copies · chains A, B
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 | 110 | 0.70 | 0.92 | 18 | empty |
| 2 | 151 | 0.69 | 0.88 | 24 | empty |
| 3 | 247 | 0.66 | 0.83 | 35 | empty |
| 4 | 102 | 0.37 | 0.75 | 20 | empty |
| 5 | 60 | 0.30 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1071 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3CG1 · Crystal structure of P. furiosus periplasmic binding protein ModA/WtpA with bound… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8U4K5 · AlphaFold monomer V2.0 prediction for MOLYBDATE/TUNGSTATE-binding protein wtpa (Q8U4K5) · 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 Q8U4K5
- Elsewhere: RCSB PDB 3CG1 · PDBe 3CG1 · UniProt Q8U4K5
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