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Structure of an inosine-adenine wobble base pair complex in the context of the decoding center

Analyse Structure of an inosine-adenine wobble base pair complex in the context of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XNQ
Type
protein + RNA
Length
3,918 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; Anticodon tRNA; MRNA; Ribosomal protein S2; Ribosomal protein S3…
UniProt
P80371, P80372, P80373, P27152, P23370, P17291, P62668, P80374, P80375, P80376, P80377, P24320, P80378, P80379, P62658, P80382, P80381, P80380, P62612
Ligands
PAR, MG, ZN
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 23 distinct chains · 34% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1507——
XAnticodon tRNArna11——
WMRNArna4——
BRibosomal protein S2protein23442% helix, 11% strandP80371
CRibosomal protein S3protein20633% helix, 13% strandP80372
DRibosomal protein S4protein20839% helix, 7% strandP80373
ERibosomal protein S5protein15029% helix, 38% strandP27152
FRibosomal protein S6protein10130% helix, 44% strandP23370
GRibosomal protein S7protein15554% helix, 6% strandP17291
HRibosomal protein S8protein13825% helix, 22% strandP62668
IRibosomal protein S9protein12732% helix, 15% strandP80374
JRibosomal protein S10protein984% helix, 16% strandP80375
KRibosomal protein S11protein11930% helix, 27% strandP80376
LRibosomal protein S12protein1247% helix, 29% strand—
MRibosomal protein S13protein12545% helix, 0% strandP80377
NRibosomal protein S14protein6028% helix, 3% strandP24320
ORibosomal protein S15protein8875% helix, 0% strandP80378
PRibosomal protein S16protein8320% helix, 30% strandP80379
QRibosomal protein S17protein10414% helix, 45% strandP62658
RRibosomal protein S18protein7338% helix, 8% strandP80382
SRibosomal protein S19protein8025% helix, 11% strandP80381
TRibosomal protein S20protein9971% helix, 0% strandP80380
VRibosomal protein thxprotein2425% helix, 8% strandP62612

Ligands and binding sites

  • PAR · Paromomycin · ligand · chains A
  • MG · Magnesium ion · metal · 107 copies · chains A, E, N, L, D, T, W, P, J, X
  • ZN · Zinc ion · metal · 2 copies · chains D, A, N

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
111020.890.9197MG
210070.850.8787empty
37330.850.8994empty
47410.850.8972MG
59240.850.8782MG

Interfaces

46 interfaces between chains.

  • A–L · 3293 Ų buried · 96 hydrogen bonds · protein-nucleic
  • A–I · 3034 Ų buried · 96 hydrogen bonds · protein-nucleic
  • A–Q · 2752 Ų buried · 68 hydrogen bonds · protein-nucleic
  • A–T · 2659 Ų buried · 70 hydrogen bonds · protein-nucleic
  • A–D · 2519 Ų buried · 71 hydrogen bonds · protein-nucleic

Compared structures

  • 1XNQ · Structure of an Inosine-Adenine Wobble Base Pair Complex in the Context of the Decoding… · the same entry in another collection · chain F against F, TM-score 1.00

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