MolNFT v1 · #179355 · protein + DNA
Crystal structure of endonuclease Q complex with 27-mer duplex substrate with di at the active site
7K31: “Crystal structure of endonuclease Q complex with 27-mer duplex substrate with di at the active site”. X-ray diffraction, 3 ligands (ZN, MG, CL), 5 pockets (best druggability 0.69). MolNFT v1 #179355 on GenesisL1: 3D structure…
- PDB
- 7K31
- Type
- protein + DNA
- Length
- 449 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endonuclease Q; DNA (27-mer)
- UniProt
- I6V2I0
- Ligands
- ZN, MG, CL
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endonuclease Q | protein | 395 | 35% helix, 19% strand | I6V2I0 |
| B | DNA (27-mer) | dna | 27 | — | — |
| C | DNA (27-mer) | dna | 27 | — | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, C
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.69 | 0.76 | 53 | EDO |
| 2 | 289 | 0.63 | 0.81 | 33 | empty |
| 3 | 134 | 0.42 | 0.76 | 17 | empty |
| 4 | 72 | 0.35 | 0.76 | 16 | empty |
| 5 | 67 | 0.28 | 0.74 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1172 Ų buried · 102 hydrogen bonds · nucleic-nucleic
- A–C · 857 Ų buried · 23 hydrogen bonds · protein-nucleic
- A–B · 609 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 7K31 · Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dI at the… · 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 I6V2I0
- Elsewhere: RCSB PDB 7K31 · PDBe 7K31 · UniProt I6V2I0
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