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Active state of intact sensor domain of human RNase L with 2-5A bound

Analyse Active state of intact sensor domain of human RNase L with 2-5A bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4G8L
Type
protein
Length
1,195 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-5A-dependent ribonuclease
EC
3.1.26.-
UniProt
Q05823
Ligands
25A
Pockets
10 · best druggability 0.57

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2-5A-dependent ribonuclease (EC 3.1.26.-)protein30751% helix, 2% strandQ05823
B2-5A-dependent ribonuclease (EC 3.1.26.-)protein29451% helix, 2% strandQ05823
C2-5A-dependent ribonuclease (EC 3.1.26.-)protein30052% helix, 2% strandQ05823
D2-5A-dependent ribonuclease (EC 3.1.26.-)protein29451% helix, 2% strandQ05823

Ligands and binding sites

  • 25A · 5'-O-monophosphoryladenylyl(2'->5')adenylyl(2'->5') adenosine · ligand · 4 copies · chains A, B, C, D

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14540.570.7447empty
21970.520.773225A
32390.510.753025A
41520.460.7617empty
51330.440.7619empty

Interfaces

4 interfaces between chains.

  • A–B · 884 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 856 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 297 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 36 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4G8L · Active state of intact sensor domain of human RNase L with 2-5A bound · the same entry in another collection · chain D against D, TM-score 1.00
  • Q05823 · AlphaFold monomer V2.0 prediction for 2-5A-dependent ribonuclease (Q05823) · a predicted model of the same protein · chain C against A, TM-score 0.99

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