MolNFT v1 · #116841 · protein
GREEN/CYAN wascfp at pH 8.0
5DQB · WASCFP_PH2: “GREEN/CYAN wascfp at pH 8.0”. X-ray diffraction, 2 ligands (CRF, NA), 1 pocket (best druggability 0.75). MolNFT v1 #116841 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5DQB
- Type
- protein
- Length
- 228 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- WASCFP_PH2
- Ligands
- CRF, NA
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | WASCFP_PH2 | protein | 228 | 12% helix, 53% strand | — |
Ligands and binding sites
- CRF · [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.75 | 0.97 | 27 | CRF |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5DQB · Green/cyan WasCFP at pH 8.0 · the same entry in another collection · 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
- Elsewhere: RCSB PDB 5DQB · PDBe 5DQB
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