Research workbench
ARF1[DELTA 1-17]-GDP-mg in complex with brefeldin a and a SEC7 domain
Analyse ARF1[DELTA 1-17]-GDP-mg in complex with brefeldin a and a SEC7 domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1S9D
- Type
- protein
- Length
- 348 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP-ribosylation factor 1; Arno
- UniProt
- P84080, Q99418
- Ligands
- GDP, AFB, MG
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP-ribosylation factor 1 | protein | 155 | 38% helix, 22% strand | P84080 |
| E | Arno | protein | 193 | 62% helix, 1% strand | Q99418 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- AFB · 1,6,7,8,9,11A,12,13,14,14A-decahydro-1,13-dihydroxy-6-methyl-4H-cyclopent[f]oxacyclotridecin-4-one · ligand · chains A, E
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.74 | 0.84 | 52 | MG, AFB |
| 2 | 70 | 0.29 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–E · 1439 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 1S9D · ARF1[DELTA 1-17]-GDP-mg in complex with brefeldin a and a SEC7 domain · the same entry in another collection · chain E against E, TM-score 1.00
- Q99418 · AlphaFold monomer V2.0 prediction for cytohesin-2 (Q99418) · a predicted model of the same protein · chain E against A, TM-score 0.90
- P84080 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor 1 (P84080) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P84080
- Every structure of UniProt Q99418
- Elsewhere: RCSB PDB 1S9D · PDBe 1S9D · UniProt P84080 · UniProt Q99418
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