MolNFT v1 · #179009 · protein + DNA
Adeno-associated virus 2 REP68 hd heptamer-SSAAVS1 with atpgs
7JSH · Protein REP68: “Adeno-associated virus 2 REP68 hd heptamer-SSAAVS1 with atpgs”. Electron microscopy, 15 pockets (best druggability 0.65). MolNFT v1 #179009 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JSH
- Type
- protein + DNA
- Length
- 1,919 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein REP68; DNA (5'-D(P*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*C)- 3')
- EC
- 3.6.4.12
- UniProt
- P03132
- Pockets
- 15 · best druggability 0.65
Structure
electron microscopy · 2 distinct chains · 39% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Protein REP68 (EC 3.6.4.12) | protein | 272 | 39% helix, 6% strand | P03132 |
| N | DNA (5'-D(P*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*C)- 3') | dna | 15 | — | — |
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 966 | 0.65 | 0.73 | 110 | empty |
| 2 | 897 | 0.65 | 0.73 | 107 | empty |
| 3 | 892 | 0.64 | 0.73 | 121 | empty |
| 4 | 540 | 0.63 | 0.76 | 84 | empty |
| 5 | 662 | 0.60 | 0.73 | 75 | empty |
Interfaces
9 interfaces between chains.
- F–G · 181 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 161 Ų buried · 1 hydrogen bond · protein-protein
- A–G · 134 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 128 Ų buried · 0 hydrogen bonds · protein-protein
- E–F · 95 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7JSH · Adeno-Associated Virus 2 Rep68 HD Heptamer-ssAAVS1 with ATPgS · 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 P03132
- Elsewhere: RCSB PDB 7JSH · PDBe 7JSH · UniProt P03132
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