MolNFT v1 · #179010 · protein + DNA
Adeno-associated virus 2 REP68 hd hexamer-ssdna with atpgs
7JSI · Protein REP68: “Adeno-associated virus 2 REP68 hd hexamer-ssdna with atpgs”. Electron microscopy, 13 pockets (best druggability 0.69). MolNFT v1 #179010 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JSI
- Type
- protein + DNA
- Length
- 1,664 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein REP68; DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*T)-3')
- EC
- 3.6.4.12
- UniProt
- P03132
- Pockets
- 13 · best druggability 0.69
Structure
electron microscopy · 2 distinct chains · 40% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Protein REP68 (EC 3.6.4.12) | protein | 276 | 40% helix, 8% strand | P03132 |
| H | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*T)-3') | dna | 8 | — | — |
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.69 | 0.76 | 112 | empty |
| 2 | 550 | 0.64 | 0.76 | 72 | empty |
| 3 | 514 | 0.63 | 0.77 | 72 | empty |
| 4 | 501 | 0.62 | 0.76 | 76 | empty |
| 5 | 446 | 0.60 | 0.76 | 63 | empty |
Interfaces
9 interfaces between chains.
- D–E · 174 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 165 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 159 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 157 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 152 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7JSI · Adeno-Associated Virus 2 Rep68 HD Hexamer-ssDNA 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 7JSI · PDBe 7JSI · UniProt P03132
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