MolNFT v1 · #146685 · protein + DNA + RNA
Crystal structure of bacillus halodurans ribonuclease H1 in complex with an RNA/DNA hybrid: reaction in 2 mm MG2+ and 200 mm li+ for 120 S at 21 C
6DOY: “Crystal structure of bacillus halodurans ribonuclease H1 in complex with an RNA/DNA hybrid: reaction in 2 mm…”. X-ray diffraction, 2 ligands (LI, IOD), 1 pocket (best druggability 0.32). MolNFT v1 #146685 on GenesisL1: 3D structure…
- PDB
- 6DOY
- Type
- protein + DNA + RNA
- Length
- 147 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonuclease H; RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'); DNA (5'-D(*CP*GP*AP*TP*GP*T)-3')
- EC
- 3.1.26.4
- UniProt
- Q9KEI9
- Ligands
- LI, IOD
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonuclease H (EC 3.1.26.4) | protein | 135 | 36% helix, 26% strand | Q9KEI9 |
| B | RNA (5'-R(*AP*CP*AP*UP*CP*G)-3') | rna | 6 | — | — |
| C | DNA (5'-D(*CP*GP*AP*TP*GP*T)-3') | dna | 6 | — | — |
Ligands and binding sites
- LI · Lithium ion · metal · 2 copies · chains A, B
- IOD · Iodide ion · ion · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, C, B
- GOL · Glycerol · additive · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.32 | 0.77 | 10 | IOD |
Interfaces
3 interfaces between chains.
- A–B · 484 Ų buried · 22 hydrogen bonds · protein-nucleic
- A–C · 442 Ų buried · 14 hydrogen bonds · protein-nucleic
- B–C · 302 Ų buried · 22 hydrogen bonds · nucleic-nucleic
Compared structures
- 6DOY · Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KEI9 · AlphaFold monomer V2.0 prediction for ribonuclease H (Q9KEI9) · a predicted model of the same protein · 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 Q9KEI9
- Elsewhere: RCSB PDB 6DOY · PDBe 6DOY · UniProt Q9KEI9
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