MolNFT v1 · #184425 · protein
RAB27A fusion with SLP2A-RBDA1 effector covalent adduct with CA1 in C188
7OPQ · Synaptotagmin-like protein 2,RAS-related protein rab-27A: “RAB27A fusion with SLP2A-RBDA1 effector covalent adduct with CA1 in C188”. X-ray diffraction, 3 ligands (06D, GNP, MG), 4 pockets (best druggability 0.72). MolNFT v1 #184425…
- PDB
- 7OPQ
- Type
- protein
- Length
- 416 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Synaptotagmin-like protein 2,RAS-related protein rab-27A
- EC
- 3.6.5.2
- UniProt
- Q9HCH5, P51159
- Ligands
- 06D, GNP, MG
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Synaptotagmin-like protein 2,RAS-related protein rab-27A (EC 3.6.5.2) | protein | 212 | 42% helix, 22% strand | Q9HCH5, P51159 |
| B | Synaptotagmin-like protein 2,RAS-related protein rab-27A (EC 3.6.5.2) | protein | 204 | 44% helix, 23% strand | Q9HCH5, P51159 |
Ligands and binding sites
- 06D · 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one · ligand · 2 copies · chains A, B
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.72 | 0.97 | 17 | GOL |
| 2 | 233 | 0.58 | 0.79 | 38 | GNP, MG, GOL |
| 3 | 220 | 0.56 | 0.79 | 38 | GNP, MG, GOL |
| 4 | 328 | 0.55 | 0.75 | 34 | 06D |
Interfaces
1 interface between chains.
- A–B · 1415 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 7OPQ · Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 · the same entry in another collection · chain A against A, TM-score 1.00
- P51159 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-27A (P51159) · a predicted model of the same protein · chain B against A, TM-score 0.86
- Q9HCH5 · AlphaFold monomer V2.0 prediction for synaptotagmin-like protein 2 (Q9HCH5) · a predicted model of the same protein · chain B against A, TM-score 0.28
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 Q9HCH5
- Every structure of UniProt P51159
- Elsewhere: RCSB PDB 7OPQ · PDBe 7OPQ · UniProt Q9HCH5 · UniProt P51159
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