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Structure of the 30S pre-initiation complex 1 (30S ic-1) stalled by GE81112

Analyse Structure of the 30S pre-initiation complex 1 (30S ic-1) stalled by GE81112 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5ME0
Type
protein + RNA
Length
4,732 residues
Chains
26
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; 30S ribosomal protein S2; 30S ribosomal protein S3; 30S ribosomal…
UniProt
P0A7V0, P0A7V3, P0A7V8, P0A7W1, P02358, P02359, P0A7W7, P0A7X3, P0A7R5, P0A7R9, P0A7S3, P0A7S9, P0AG59, P0ADZ4, A0A0U4BH30, P0AG63, P0A7T7, P0A7U3, P0A7U7, P68679, Q5SHR1, P0A705, P03000, P0A707
Ligands
FME
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 26 distinct chains · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1534——
B30S ribosomal protein S2protein22449% helix, 14% strandP0A7V0
C30S ribosomal protein S3protein20637% helix, 28% strandP0A7V3
D30S ribosomal protein S4protein20544% helix, 10% strandP0A7V8
E30S ribosomal protein S5protein15529% helix, 40% strandP0A7W1
F30S ribosomal protein S6protein10636% helix, 37% strandP02358
G30S ribosomal protein S7protein15158% helix, 9% strandP02359
H30S ribosomal protein S8protein12930% helix, 32% strandP0A7W7
I30S ribosomal protein S9protein12730% helix, 24% strandP0A7X3
J30S ribosomal protein S10protein9924% helix, 44% strandP0A7R5
K30S ribosomal protein S11protein11720% helix, 30% strandP0A7R9
L30S ribosomal protein S12protein12310% helix, 28% strandP0A7S3
M30S ribosomal protein S13protein11450% helix, 2% strandP0A7S9
N30S ribosomal protein S14protein10048% helix, 7% strandP0AG59
O30S ribosomal protein S15protein8875% helix, 0% strandP0ADZ4
P30S ribosomal protein S16protein8227% helix, 38% strandA0A0U4BH30
Q30S ribosomal protein S17protein804% helix, 56% strandP0AG63
R30S ribosomal protein S18protein5545% helix, 4% strandP0A7T7
S30S ribosomal protein S19protein7928% helix, 19% strandP0A7U3
T30S ribosomal protein S20protein8683% helix, 0% strandP0A7U7
U30S ribosomal protein S21protein5666% helix, 5% strandP68679
VTranslation initiation factor if-1protein717% helix, 23% strandQ5SHR1
WTranslation initiation factor if-2protein50124% helix, 29% strandP0A705
YTranslation initiation factor if-3protein7636% helix, 30% strandP03000
ZTranslation initiation factor if-3protein9131% helix, 25% strandP0A707
XFmet-tRNArna77——

Ligands and binding sites

  • FME · N-formylmethionine · ligand · chains W, X

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
19460.860.8968empty
29310.840.8784empty
38370.840.8769empty
45330.830.9051empty
55540.820.8959empty

Interfaces

55 interfaces between chains.

  • A–L · 3229 Ų buried · 83 hydrogen bonds · protein-nucleic
  • A–D · 3095 Ų buried · 92 hydrogen bonds · protein-nucleic
  • A–I · 2917 Ų buried · 88 hydrogen bonds · protein-nucleic
  • A–T · 2435 Ų buried · 52 hydrogen bonds · protein-nucleic
  • A–N · 2273 Ų buried · 62 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 16 modified, 1 covalent, 1 disulfide (nucleotide modification, covalent ligand, disulfide, nonstandard).

Compared structures

  • 5ME0 · Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112 · the same entry in another collection · chain J against J, TM-score 1.00

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