MolNFT v1 · #148814 · protein
Cryoem structure of INO80CORE
6FHS · Ruvb-like helicase: “Cryoem structure of INO80CORE”. Electron microscopy, 2 ligands (ADP, ATP), 20 pockets (best druggability 0.86). MolNFT v1 #148814 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6FHS
- Type
- protein
- Length
- 3,510 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ruvb-like helicase; INO80; LES2; LES6; ARP5
- EC
- 3.6.4.12
- UniProt
- G0RYI5, G0RYC2, G0RY01, G0S590, G0S589
- Ligands
- ADP, ATP
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 10 distinct chains · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ruvb-like helicase (EC 3.6.4.12) | protein | 449 | 35% helix, 21% strand | G0RYI5 |
| B | Ruvb-like helicase (EC 3.6.4.12) | protein | 438 | 35% helix, 21% strand | G0RYI5 |
| C | Ruvb-like helicase (EC 3.6.4.12) | protein | 459 | 32% helix, 21% strand | G0RYI5 |
| D | Ruvb-like helicase (EC 3.6.4.12) | protein | 439 | 34% helix, 23% strand | G0RYC2 |
| E | Ruvb-like helicase (EC 3.6.4.12) | protein | 441 | 36% helix, 21% strand | G0RYC2 |
| F | Ruvb-like helicase (EC 3.6.4.12) | protein | 437 | 37% helix, 23% strand | G0RYC2 |
| G | INO80 | protein | 267 | 32% helix, 6% strand | — |
| H | LES2 | protein | 36 | 19% helix, 25% strand | G0RY01 |
| I | LES6 | protein | 103 | 31% helix, 4% strand | G0S590 |
| J | ARP5 | protein | 441 | 34% helix, 15% strand | G0S589 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains A, D, B, E, C, F
- ATP · Adenosine-5'-triphosphate · ligand · chains J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1053 | 0.86 | 0.87 | 111 | ADP |
| 2 | 762 | 0.85 | 0.88 | 85 | empty |
| 3 | 512 | 0.84 | 0.91 | 79 | empty |
| 4 | 266 | 0.83 | 0.95 | 39 | ADP |
| 5 | 309 | 0.83 | 0.94 | 46 | ADP |
Interfaces
26 interfaces between chains.
- C–F · 4145 Ų buried · 39 hydrogen bonds · protein-protein
- B–F · 4100 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 3911 Ų buried · 34 hydrogen bonds · protein-protein
- B–E · 3692 Ų buried · 35 hydrogen bonds · protein-protein
- A–E · 3674 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 6FHS · CryoEM Structure of INO80core · 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
- Every structure of UniProt G0RYI5
- Every structure of UniProt G0RYC2
- Every structure of UniProt G0RY01
- Every structure of UniProt G0S590
- Every structure of UniProt G0S589
- Elsewhere: RCSB PDB 6FHS · PDBe 6FHS · UniProt G0RYI5 · UniProt G0RYC2 · UniProt G0RY01 · UniProt G0S590 · UniProt G0S589
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