Research workbench
Crystal structure of GDP-bound human rala in a covalent complex with aryl sulfonyl fluoride compounds.
Analyse Crystal structure of GDP-bound human rala in a covalent complex with aryl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6P0I
- Type
- protein
- Length
- 169 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RAS-related protein ral-a
- UniProt
- P11233
- Ligands
- GDP, NL7, CA, NA, CL
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | RAS-related protein ral-a | protein | 169 | 40% helix, 26% strand | P11233 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- NL7 · 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid · ligand · chains B
- CA · Calcium ion · metal · chains B
- NA · Sodium ion · metal · chains B
- CL · Chloride ion · ion · 3 copies · chains B
- EDO · 1,2-ethanediol · additive · chains B
- ACT · Acetate ion · additive · chains B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.50 | 0.79 | 22 | NL7 |
| 2 | 121 | 0.41 | 0.76 | 26 | GDP, CA |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6P0I · Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl… · the same entry in another collection · chain B against B, TM-score 1.00
- P11233 · AlphaFold monomer V2.0 prediction for RAS-related protein ral-a (P11233) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P11233
- Elsewhere: RCSB PDB 6P0I · PDBe 6P0I · UniProt P11233
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