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MolNFT v1 · #146663 · 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 K+ for 240 S at 21 C

6DOC: “Crystal structure of bacillus halodurans ribonuclease H1 in complex with an RNA/DNA hybrid: reaction in 2 mm…”. X-ray diffraction, 3 ligands (K, MG, IOD). MolNFT v1 #146663 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6DOC
Type
protein + DNA + RNA
Length
148 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease H; RNA (5'-R(*AP*CP*AP*U)-3'); RNA (5'-R(P*CP*G)-3'); DNA…
EC
3.1.26.4
UniProt
Q9KEI9
Ligands
K, MG, IOD

Structure

x-ray diffraction · 4 distinct chains · 35% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonuclease H (EC 3.1.26.4)protein13635% helix, 26% strandQ9KEI9
BRNA (5'-R(*AP*CP*AP*U)-3')rna4——
bRNA (5'-R(P*CP*G)-3')rna2——
CDNA (5'-D(*CP*GP*AP*TP*GP*T)-3')dna6——

Ligands and binding sites

  • K · Potassium ion · metal · 3 copies · chains A, b, B, C
  • MG · Magnesium ion · metal · 2 copies · chains A, b, B
  • IOD · Iodide ion · ion · 4 copies · chains A
  • GOL · Glycerol · additive · 5 copies · chains A, C
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, C
  • PGE · Triethylene glycol · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

6 interfaces between chains.

  • A–C · 432 Ų buried · 13 hydrogen bonds · protein-nucleic
  • A–b · 319 Ų buried · 12 hydrogen bonds · protein-nucleic
  • A–B · 270 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–C · 189 Ų buried · 15 hydrogen bonds · nucleic-nucleic
  • b–C · 145 Ų buried · 10 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6DOC · 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

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