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MolNFT v1 · #15385 · protein + RNA

Structure of the thermus thermophilus 30S ribosomal subunit in the presence of crystallographically disordered codon and near-cognate transfer RNA anticodon stem-loop mismatched at the second codon position

1N36 · 16S ribosomal RNA: “Structure of the thermus thermophilus 30S ribosomal subunit in the presence of crystallographically…”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.88). MolNFT v1 #15385 on GenesisL1: 3D…

PDB
1N36
Type
protein + RNA
Length
3,902 residues
Chains
21
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; 30S ribosomal protein S2; 30S ribosomal protein S3; 30S ribosomal…
UniProt
P80371, P80372, P80373, Q5SHQ5, Q5SLP8, P17291, Q5SHQ2, P80374, Q5SHN7, P80376, Q5SHN3, P80377, Q5SHQ1, Q5SJ76, Q5SJH3, Q5SHP7, Q5SLQ0, Q5SHP2, P80380
Ligands
ZN
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 21 distinct chains · 31% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1513——
B30S ribosomal protein S2protein23437% helix, 9% strandP80371
C30S ribosomal protein S3protein20626% helix, 6% strandP80372
D30S ribosomal protein S4protein20838% helix, 4% strandP80373
E30S ribosomal protein S5protein15033% helix, 31% strandQ5SHQ5
F30S ribosomal protein S6protein10115% helix, 27% strandQ5SLP8
G30S ribosomal protein S7protein15544% helix, 5% strandP17291
H30S ribosomal protein S8protein13830% helix, 19% strandQ5SHQ2
I30S ribosomal protein S9protein12725% helix, 6% strandP80374
J30S ribosomal protein S10protein9815% helix, 12% strandQ5SHN7
K30S ribosomal protein S11protein11928% helix, 17% strandP80376
L30S ribosomal protein S12protein1244% helix, 14% strandQ5SHN3
M30S ribosomal protein S13protein11845% helix, 0% strandP80377
N30S ribosomal protein S14protein6013% helix, 2% strandQ5SHQ1
O30S ribosomal protein S15protein8874% helix, 0% strandQ5SJ76
P30S ribosomal protein S16protein8322% helix, 13% strandQ5SJH3
Q30S ribosomal protein S17protein10414% helix, 38% strandQ5SHP7
R30S ribosomal protein S18protein7338% helix, 5% strandQ5SLQ0
S30S ribosomal protein S19protein8013% helix, 8% strandQ5SHP2
T30S ribosomal protein S20protein9969% helix, 0% strandP80380
V30S ribosomal protein thxprotein2425% helix, 0% strandP80380

Ligands and binding sites

  • 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
110490.880.9187empty
29590.850.8796empty
38490.840.8864empty
45320.840.9055empty
56440.830.8965empty

Interfaces

41 interfaces between chains.

  • A–L · 3167 Ų buried · 84 hydrogen bonds · protein-nucleic
  • A–D · 2933 Ų buried · 82 hydrogen bonds · protein-nucleic
  • A–I · 2880 Ų buried · 74 hydrogen bonds · protein-nucleic
  • A–Q · 2785 Ų buried · 65 hydrogen bonds · protein-nucleic
  • A–P · 2633 Ų buried · 52 hydrogen bonds · protein-nucleic

Compared structures

  • 1N36 · Structure of the Thermus thermophilus 30S ribosomal subunit in the presence of… · the same entry in another collection · chain B against B, TM-score 1.00

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