MolNFT v1 · #146686 · protein + DNA + RNA
Crystal structure of bacillus halodurans ribonuclease H1 in complex with an RNA/DNA hybrid: reaction in 1 mm MG2+ and 75 mm K+ for 40 S at 21 C
6DOZ: “Crystal structure of bacillus halodurans ribonuclease H1 in complex with an RNA/DNA hybrid: reaction in 1 mm…”. X-ray diffraction, 3 ligands (MG, K, IOD), 1 pocket (best druggability 0.30). MolNFT v1 #146686 on GenesisL1: 3D…
- PDB
- 6DOZ
- Type
- protein + DNA + RNA
- Length
- 147 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonuclease H; 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'…
- EC
- 3.1.26.4
- UniProt
- Q9KEI9
- Ligands
- MG, K, IOD
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 4 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 | 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'- R(*AP*CP*AP*UP*CP*G)-3' | rna | 4 | — | — |
| b | 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'- R(*AP*CP*AP*UP*CP*G)-3' | rna | 2 | — | — |
| C | DNA (5'-D(*CP*GP*AP*TP*GP*T)-3') | dna | 6 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, b, B
- K · Potassium ion · metal · 2 copies · chains A, b, B, C
- IOD · Iodide ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A, b, C
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
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 | 50 | 0.30 | 0.76 | 9 | IOD |
Interfaces
6 interfaces between chains.
- A–C · 436 Ų buried · 13 hydrogen bonds · protein-nucleic
- A–B · 273 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–b · 265 Ų buried · 9 hydrogen bonds · protein-nucleic
- B–C · 186 Ų buried · 13 hydrogen bonds · nucleic-nucleic
- b–C · 145 Ų buried · 9 hydrogen bonds · nucleic-nucleic
Compared structures
- 6DOZ · 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 6DOZ · PDBe 6DOZ · UniProt Q9KEI9
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