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Structure of a deacylated tRNA minihelix bound to the E site of the large ribosomal subunit of haloarcula marismortui

Analyse Structure of a deacylated tRNA minihelix bound to the E site of the large… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1QVF
Type
protein + RNA
Length
6,589 residues
Chains
31
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
23S ribosomal RNA; 5S ribosomal RNA; Deacylated tRNA minihelix; 50S ribosomal protein…
UniProt
P20276, P20279, P12735, P14124, P14135, P12743, P15825, P29198, P22450, P12737, P14123, P12733, P14119, P12734, P10970, P12732, P10972, P14116, P10971, P14121, P18138, P12736, P32410, P22452, P32411
Ligands
MG, NA, CD, K, CL
Pockets
20 · best druggability 0.90

Structure

x-ray diffraction · 31 distinct chains · 29% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
023S ribosomal RNArna2754——
95S ribosomal RNArna122——
3Deacylated tRNA minihelixrna12——
A50S ribosomal protein L2Pprotein23714% helix, 24% strandP20276
B50S ribosomal protein L3Pprotein33714% helix, 32% strandP20279
C50S ribosomal protein L4Eprotein24633% helix, 14% strandP12735
D50S ribosomal protein L5Pprotein14026% helix, 21% strandP14124
E50S ribosomal protein L6Pprotein17222% helix, 42% strandP14135
F50S ribosomal protein L7AEprotein11947% helix, 13% strandP12743
G50S ribosomal protein L10Eprotein2979% helix, 0% strandP15825
HL10 ribosomal proteinprotein15613% helix, 28% strand—
I50S ribosomal protein L13Pprotein14240% helix, 15% strandP29198
J50S ribosomal protein L14Pprotein1325% helix, 38% strandP22450
K50S ribosomal protein L15Pprotein14521% helix, 16% strandP12737
LL15 ribosomal proteinprotein19432% helix, 16% strand—
M50S ribosomal protein L18Pprotein18640% helix, 13% strandP14123
N50S ribosomal protein L18Eprotein11546% helix, 23% strandP12733
O50S ribosomal protein L19Eprotein14362% helix, 4% strandP14119
P50S ribosomal protein L21Eprotein9514% helix, 32% strandP12734
Q50S ribosomal protein L22Pprotein15033% helix, 31% strandP10970
R50S ribosomal protein L23Pprotein8135% helix, 31% strandP12732
S50S ribosomal protein L24Pprotein11929% helix, 29% strandP10972
T50S ribosomal protein L24Eprotein5321% helix, 19% strandP14116
U50S ribosomal protein L29Pprotein6574% helix, 0% strandP10971
V50S ribosomal protein L30Pprotein15440% helix, 14% strandP14121
W50S ribosomal protein L31Eprotein8238% helix, 28% strandP18138
X50S ribosomal protein L32Eprotein14223% helix, 12% strandP12736
YL37AE 50S ribosomal proteinprotein7337% helix, 18% strand—
Z50S ribosomal protein L37Eprotein5613% helix, 16% strandP32410
150S ribosomal protein L39Eprotein4641% helix, 0% strandP22452
250S ribosomal protein L44Eprotein9214% helix, 33% strandP32411

Ligands and binding sites

  • MG · Magnesium ion · metal · 119 copies · chains 0, A, C, B, Z, L, R, Q, V, 9, 1, X, 2, O, 3, T, J, S, Y
  • NA · Sodium ion · metal · 86 copies · chains 0, K, B, 1, X, S, 9, I, C, L, 2, D, A, H, P, Q, R
  • CD · Cadmium ion · metal · 5 copies · chains N, T, Y, Z, 2
  • K · Potassium ion · metal · 2 copies · chains 0, L
  • CL · Chloride ion · ion · 22 copies · chains 0, 1, P, J, K, I, X, V, A, B, E, L, D, M, N, Q, 2

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
110670.900.9298MG, NA
29390.880.91116MG, CL
311720.870.88116empty
411840.860.88106NA
58560.850.8885MG

Interfaces

55 interfaces between chains.

  • 0–B · 7347 Ų buried · 221 hydrogen bonds · protein-nucleic
  • 0–L · 6893 Ų buried · 183 hydrogen bonds · protein-nucleic
  • 0–A · 6259 Ų buried · 178 hydrogen bonds · protein-nucleic
  • 0–C · 5585 Ų buried · 137 hydrogen bonds · protein-nucleic
  • 0–O · 4348 Ų buried · 121 hydrogen bonds · protein-nucleic

Compared structures

  • 1QVF · Structure of a deacylated tRNA minihelix bound to the E site of the large ribosomal… · the same entry in another collection · chain H against H, TM-score 1.00

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