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Crystal structure of 30S ribosomal subunit from thermus thermophilus

Analyse Crystal structure of 30S ribosomal subunit from thermus thermophilus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LFC
Type
protein + RNA
Length
3,902 residues
Chains
21
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S rRNA; Ribosomal protein S2; Ribosomal protein S3; Ribosomal protein S4; Ribosomal…
UniProt
P80371, P80372, P80373, Q5SHQ5, Q5SLP8, P17291, Q5SHQ2, P80374, Q5SHN7, P80376, F6DEQ7, P80377, Q5SHQ1, Q5SJ76, Q5SJH3, Q5SHP7, Q5SLQ0, Q5SHP2, P80380, Q5SIH3
Ligands
TOY, MG, K, ZN
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 21 distinct chains · 36% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S rRNArna1512——
BRibosomal protein S2protein23544% helix, 11% strandP80371
CRibosomal protein S3protein20638% helix, 22% strandP80372
DRibosomal protein S4protein20840% helix, 9% strandP80373
ERibosomal protein S5protein15029% helix, 41% strandQ5SHQ5
FRibosomal protein S6protein10130% helix, 49% strandQ5SLP8
GRibosomal protein S7protein15554% helix, 9% strandP17291
HRibosomal protein S8protein13827% helix, 35% strandQ5SHQ2
IRibosomal protein S9protein12729% helix, 21% strandP80374
JRibosomal protein S10protein9814% helix, 24% strandQ5SHN7
KRibosomal protein S11protein11926% helix, 26% strandP80376
LRibosomal protein S12protein1248% helix, 28% strandF6DEQ7
MRibosomal protein S13protein11847% helix, 2% strandP80377
NRibosomal protein S14protein6025% helix, 8% strandQ5SHQ1
ORibosomal protein S15protein8875% helix, 0% strandQ5SJ76
PRibosomal protein S16protein8322% helix, 30% strandQ5SJH3
QRibosomal protein S17protein10415% helix, 42% strandQ5SHP7
RRibosomal protein S18protein7334% helix, 7% strandQ5SLQ0
SRibosomal protein S19protein8028% helix, 15% strandQ5SHP2
TRibosomal protein S20protein9973% helix, 0% strandP80380
URibosomal protein thxprotein2429% helix, 0% strandQ5SIH3

Ligands and binding sites

  • TOY · Tobramycin · ligand · chains A
  • MG · Magnesium ion · metal · 133 copies · chains A, E, D, N, T, L, K, U, B, H, J, M, Q, S
  • K · Potassium ion · metal · 16 copies · chains A
  • ZN · Zinc ion · metal · 2 copies · chains D, 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
18490.880.9269MG
29910.850.8795MG
310940.850.8790MG
411100.850.8798MG
59450.840.8774MG

Interfaces

41 interfaces between chains.

  • A–L · 3232 Ų buried · 87 hydrogen bonds · protein-nucleic
  • A–D · 3143 Ų buried · 86 hydrogen bonds · protein-nucleic
  • A–I · 2996 Ų buried · 77 hydrogen bonds · protein-nucleic
  • A–Q · 2707 Ų buried · 65 hydrogen bonds · protein-nucleic
  • A–T · 2685 Ų buried · 59 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 15 modified (nucleotide modification, nonstandard).

Compared structures

  • 4LFC · Crystal Structure of 30S ribosomal subunit from Thermus thermophilus · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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