MolNFT v1 · #109838 · protein
Orthorhombic isomorph of bovine ARP2/3 complex
4XEI · Actin-related protein 3: “Orthorhombic isomorph of bovine ARP2/3 complex”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #109838 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XEI
- Type
- protein
- Length
- 1,721 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin-related protein 3; Actin-related protein 2; Actin-related protein 2/3 complex…
- UniProt
- P61157, A7MB62, Q58CQ2, Q3MHR7, Q3T035, Q148J6, Q3SYX9
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 7 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin-related protein 3 | protein | 400 | 38% helix, 17% strand | P61157 |
| B | Actin-related protein 2 | protein | 218 | 40% helix, 10% strand | A7MB62 |
| C | Actin-related protein 2/3 complex subunit 1B | protein | 344 | 2% helix, 42% strand | Q58CQ2 |
| D | Actin-related protein 2/3 complex subunit 2 | protein | 282 | 36% helix, 19% strand | Q3MHR7 |
| E | Actin-related protein 2/3 complex subunit 3 | protein | 174 | 45% helix, 1% strand | Q3T035 |
| F | Actin-related protein 2/3 complex subunit 4 | protein | 168 | 51% helix, 14% strand | Q148J6 |
| G | Actin-related protein 2/3 complex subunit 5 | protein | 135 | 55% helix, 0% strand | Q3SYX9 |
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 838 | 0.84 | 0.86 | 104 | empty |
| 2 | 598 | 0.82 | 0.87 | 76 | empty |
| 3 | 106 | 0.77 | 0.97 | 24 | empty |
| 4 | 551 | 0.72 | 0.81 | 60 | empty |
| 5 | 652 | 0.70 | 0.78 | 58 | empty |
Interfaces
12 interfaces between chains.
- D–F · 2099 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 1856 Ų buried · 23 hydrogen bonds · protein-protein
- C–F · 1220 Ų buried · 18 hydrogen bonds · protein-protein
- F–G · 1021 Ų buried · 5 hydrogen bonds · protein-protein
- A–E · 960 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4XEI · Orthorhombic isomorph of bovine Arp2/3 complex · the same entry in another collection · chain G against G, TM-score 1.00
- Q3T035 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 3 (Q3T035) · a predicted model of the same protein · chain E against A, TM-score 0.98
- Q58CQ2 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 1B… · a predicted model of the same protein · chain C against A, TM-score 0.98
- Q3MHR7 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 2 (Q3MHR7) · a predicted model of the same protein · chain D against A, TM-score 0.97
- Q3SYX9 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 5 (Q3SYX9) · a predicted model of the same protein · chain G against A, TM-score 0.95
- Q148J6 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 4 (Q148J6) · a predicted model of the same protein · chain F against A, TM-score 0.94
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 P61157
- Every structure of UniProt A7MB62
- Every structure of UniProt Q58CQ2
- Every structure of UniProt Q3MHR7
- Every structure of UniProt Q3T035
- Every structure of UniProt Q148J6
- Every structure of UniProt Q3SYX9
- Elsewhere: RCSB PDB 4XEI · PDBe 4XEI · UniProt P61157 · UniProt A7MB62 · UniProt Q58CQ2 · UniProt Q3MHR7 · UniProt Q3T035 · UniProt Q148J6 · UniProt Q3SYX9
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