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Structure of the HCV ires bound to the human ribosome

Analyse Structure of the HCV ires bound to the human ribosome in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A2Q
Type
protein + RNA
Length
6,867 residues
Chains
38
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
18S rRNA; HCV ires; Ribosomal protein US2; Ribosomal protein ES1; Ribosomal protein US5…
UniProt
P08865, Q6NXR8, P15880, P23396, P62701, P46782, P62753, P62081, P62241, P46781, P46783, P62280, P25398, P62277, P62263, P62841, P62249, P08708, P62269, P39019, P60866, P63220, P62244, P62266, P62847, P62851, P62854, P42677, P62857, P62273, P62861, Q5RKT7, P63244, P62945, P84098, P83731
Ligands
MG, ZN
Pockets
20 · best druggability 0.90

Structure

electron microscopy · 38 distinct chains · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
218S rRNArna1665——
3HCV iresrna257——
ARibosomal protein US2protein21640% helix, 14% strandP08865
BRibosomal protein ES1protein21330% helix, 31% strandQ6NXR8
CRibosomal protein US5protein21834% helix, 29% strandP15880
DRibosomal protein US3protein22533% helix, 28% strandP23396
ERibosomal protein ES4protein26216% helix, 33% strandP62701
FRibosomal protein US7protein18950% helix, 7% strandP46782
GRibosomal protein ES6protein23028% helix, 27% strandP62753
HRibosomal protein ES7protein18637% helix, 23% strandP62081
IRibosomal protein ES8protein20532% helix, 27% strandP62241
JRibosomal protein US4protein18049% helix, 4% strandP46781
KRibosomal protein ES10protein9543% helix, 15% strandP46783
LRibosomal protein US17protein1515% helix, 32% strandP62280
MRibosomal protein ES12protein12341% helix, 14% strandP25398
NRibosomal protein US15protein14956% helix, 0% strandP62277
ORibosomal protein US11protein13527% helix, 25% strandP62263
PRibosomal protein US19protein12038% helix, 14% strandP62841
QRibosomal protein US9protein13935% helix, 19% strandP62249
RRibosomal protein ES17protein13247% helix, 6% strandP08708
SRibosomal protein US13protein14339% helix, 8% strandP62269
TRibosomal protein ES19protein14551% helix, 10% strandP39019
URibosomal protein US10protein10127% helix, 45% strandP60866
VRibosomal protein ES21protein8221% helix, 27% strandP63220
WRibosomal protein US8protein12932% helix, 26% strandP62244
XRibosomal protein US12protein14125% helix, 29% strandP62266
YRibosomal protein ES24protein12434% helix, 29% strandP62847
ZRibosomal protein ES25protein7244% helix, 24% strandP62851
aRibosomal protein ES26protein10119% helix, 23% strandP62854
bRibosomal protein ES27protein827% helix, 28% strandP42677
cRibosomal protein ES28protein610% helix, 46% strandP62857
dRibosomal protein US14protein5520% helix, 9% strandP62273
eRibosomal protein ES30protein5623% helix, 0% strandP62861
fRibosomal protein ES31protein724% helix, 19% strandQ5RKT7
gRibosomal protein RACK1protein3140% helix, 53% strandP63244
hRibosomal protein EL41protein2475% helix, 0% strandP62945
rRibosomal protein EL19protein1385% helix, 0% strandP84098
wRibosomal protein EL24protein6258% helix, 3% strandP83731

Ligands and binding sites

  • MG · Magnesium ion · metal · 98 copies · chains 2, a, I, E, N, J, C, X
  • ZN · Zinc ion · metal · 3 copies · chains a, 2, d, f

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110870.900.93141empty
29210.880.90114empty
310140.880.9094empty
46570.860.9280empty
58130.860.9083MG

Interfaces

104 interfaces between chains.

  • 2–G · 5322 Ų buried · 123 hydrogen bonds · protein-nucleic
  • 2–I · 4270 Ų buried · 99 hydrogen bonds · protein-nucleic
  • 2–E · 3957 Ų buried · 74 hydrogen bonds · protein-nucleic
  • 2–J · 3671 Ų buried · 81 hydrogen bonds · protein-nucleic
  • 2–X · 3507 Ų buried · 73 hydrogen bonds · protein-nucleic

Compared structures

  • 5A2Q · Structure of the HCV IRES bound to the human ribosome · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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