MolNFT v1 · #60126 · protein
Crystal structure of a. fulgidus periplasmic binding protein MODA/WTPA with bound tungstate
3CIJ · UPF0100 protein AF_0094: “Crystal structure of a. fulgidus periplasmic binding protein MODA/WTPA with bound tungstate”. X-ray diffraction, 2 ligands (WO4, SO4), 2 pockets (best druggability 0.75). MolNFT v1 #60126 on GenesisL1: 3D…
- PDB
- 3CIJ
- Type
- protein
- Length
- 582 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0100 protein AF_0094
- UniProt
- O30142
- Ligands
- WO4, SO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | UPF0100 protein AF_0094 | protein | 291 | 37% helix, 23% strand | O30142 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 412 | 0.75 | 0.85 | 30 | empty |
| 2 | 469 | 0.75 | 0.84 | 51 | empty |
Interfaces
1 interface between chains.
- A–B · 579 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3CIJ · Crystal structure of A. fulgidus periplasmic binding protein ModA/WtpA with bound… · the same entry in another collection · chain A against A, TM-score 1.00
- O30142 · AlphaFold monomer V2.0 prediction for MOLYBDATE/TUNGSTATE-binding protein wtpa (O30142) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O30142
- Elsewhere: RCSB PDB 3CIJ · PDBe 3CIJ · UniProt O30142
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