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Structure of the thermus thermophilus 30S ribosomal subunit in complex with hygromycin B

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

PDB
1HNZ
Type
protein + RNA
Length
3,914 residues
Chains
22
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; Fragment of messenger RNA; 30S ribosomal protein S2; 30S ribosomal…
UniProt
P80373, P27152, P23370, P17291, P24319, P80375, P17293, P24320, P80378, P80381, P32193
Ligands
HYG, MG, ZN
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 22 distinct chains · 35% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1507——
XFragment of messenger RNArna6——
B30S ribosomal protein S2protein23447% helix, 9% strand—
C30S ribosomal protein S3protein20634% helix, 16% strand—
D30S ribosomal protein S4protein20838% helix, 6% strandP80373
E30S ribosomal protein S5protein15028% helix, 39% strandP27152
F30S ribosomal protein S6protein10130% helix, 44% strandP23370
G30S ribosomal protein S7protein15554% helix, 6% strandP17291
H30S ribosomal protein S8protein13828% helix, 27% strandP24319
I30S ribosomal protein S9protein12731% helix, 20% strand—
J30S ribosomal protein S10protein9819% helix, 23% strandP80375
K30S ribosomal protein S11protein11929% helix, 29% strand—
L30S ribosomal protein S12protein1246% helix, 22% strandP17293
M30S ribosomal protein S13protein12549% helix, 2% strand—
N30S ribosomal protein S14protein6037% helix, 7% strandP24320
O30S ribosomal protein S15protein8873% helix, 0% strandP80378
P30S ribosomal protein S16protein8820% helix, 20% strand—
Q30S ribosomal protein S17protein10413% helix, 45% strand—
R30S ribosomal protein S18protein7338% helix, 5% strand—
S30S ribosomal protein S19protein8021% helix, 15% strandP80381
T30S ribosomal protein S20protein9968% helix, 0% strand—
V30S ribosomal protein thxprotein2425% helix, 0% strandP32193

Ligands and binding sites

  • HYG · Hygromycin B · ligand · chains A, X
  • MG · Magnesium ion · metal · 96 copies · chains A, E, I, D, N, C, V, L, H, Q, T
  • ZN · Zinc ion · metal · 2 copies · chains N, D

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
111940.880.9196MG
211460.860.88108MG
39710.850.8796MG
49230.850.8886empty
510710.850.8781MG

Interfaces

45 interfaces between chains.

  • A–L · 3244 Ų buried · 91 hydrogen bonds · protein-nucleic
  • A–I · 3044 Ų buried · 107 hydrogen bonds · protein-nucleic
  • A–D · 2960 Ų buried · 96 hydrogen bonds · protein-nucleic
  • A–Q · 2798 Ų buried · 69 hydrogen bonds · protein-nucleic
  • A–T · 2679 Ų buried · 76 hydrogen bonds · protein-nucleic

Compared structures

  • 1HNZ · Structure of the thermus thermophilus 30S ribosomal subunit in complex with hygromycin B · the same entry in another collection · chain C against C, TM-score 1.00

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