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MolNFT v1 · #172403 · protein + RNA

Structure of a crosslinked yeast ABCE1-bound 43S pre-initiation complex

7A1G · 18S ribosomal RNA: “Structure of a crosslinked yeast ABCE1-bound 43S pre-initiation complex”. Electron microscopy, 4 ligands (SF4, ADP, MG), 20 pockets (best druggability 0.88). MolNFT v1 #172403 on GenesisL1: 3D structure, binding…

PDB
7A1G
Type
protein + RNA
Length
7,383 residues
Chains
37
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
18S ribosomal RNA; 40S ribosomal protein S0-a; 40S ribosomal protein S1-a; 40S ribosomal…
UniProt
P32905, P33442, P25443, P0CX35, P0CX37, P26786, P0CX39, O13516, P0CX47, P05756, P39516, P0C0V8, P0C0W1, P0CX29, P0CX31, P39939, P35997, P0CX33, Q01855, P05750, P26783, Q08745, P48589, P0CX51, P14127, P0CX55, P07280, P38701, Q3E792, P41057, P05759, P38011, Q3E7X9, Q05775, Q03195
Ligands
SF4, ADP, MG, ZN
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 37 distinct chains · 31% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
218S ribosomal RNArna1771——
P40S ribosomal protein S0-aprotein20634% helix, 15% strandP32905
Q40S ribosomal protein S1-aprotein22626% helix, 28% strandP33442
R40S ribosomal protein S2protein21633% helix, 28% strandP25443
S40S ribosomal protein S4-aprotein25815% helix, 29% strandP0CX35
T40S ribosomal protein S6-aprotein22829% helix, 23% strandP0CX37
U40S ribosomal protein S7-aprotein18436% helix, 21% strandP26786
V40S ribosomal protein S8-aprotein18727% helix, 27% strandP0CX39
W40S ribosomal protein S9-aprotein18449% helix, 2% strandO13516
X40S ribosomal protein S11-aprotein1424% helix, 31% strandP0CX47
Y40S ribosomal protein S13protein15055% helix, 0% strandP05756
Z40S ribosomal protein S14-Bprotein12727% helix, 27% strandP39516
a40S ribosomal protein S21-aprotein8718% helix, 30% strandP0C0V8
b40S ribosomal protein S22-aprotein12935% helix, 27% strandP0C0W1
c40S ribosomal protein S23-aprotein14422% helix, 26% strandP0CX29
d40S ribosomal protein S24-aprotein13436% helix, 25% strandP0CX31
e40S ribosomal protein S26-Bprotein9716% helix, 21% strandP39939
f40S ribosomal protein S27-aprotein817% helix, 21% strandP35997
g40S ribosomal protein S30-aprotein6035% helix, 0% strandP0CX33
E40S ribosomal protein S15protein11729% helix, 15% strandQ01855
A40S ribosomal protein S3protein22239% helix, 29% strandP05750
B40S ribosomal protein S5protein20645% helix, 6% strandP26783
C40S ribosomal protein S10-aprotein9240% helix, 10% strandQ08745
D40S ribosomal protein S12protein12136% helix, 10% strandP48589
F40S ribosomal protein S16-aprotein14143% helix, 20% strandP0CX51
H40S ribosomal protein S17-Bprotein12152% helix, 5% strandP14127
I40S ribosomal protein S18-aprotein14537% helix, 8% strandP0CX55
J40S ribosomal protein S19-aprotein14344% helix, 10% strandP07280
K40S ribosomal protein S20protein10026% helix, 37% strandP38701
L40S ribosomal protein S25-aprotein8239% helix, 21% strandQ3E792
M40S ribosomal protein S29-aprotein5326% helix, 9% strandP41057
NUbiquitin-40S ribosomal protein S31protein730% helix, 3% strandP05759
OGuanine nucleotide-binding protein subunit beta-like proteinprotein3120% helix, 53% strandP38011
h40S ribosomal protein S28-aprotein630% helix, 48% strandQ3E7X9
zEukaryotic translation initiation factor 3 subunit Jprotein12057% helix, 2% strandQ05775
yEukaryotic translation initiation factor 3 subunit Jprotein7980% helix, 0% strandQ05775
xTranslation initiation factor RLI1protein58231% helix, 15% strandQ03195

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · 2 copies · chains x
  • ADP · Adenosine-5'-diphosphate · ligand · chains x
  • MG · Magnesium ion · metal · 80 copies · chains 2, e, Y, J, c, K, R, S, B, x
  • ZN · Zinc ion · metal · 2 copies · chains M, 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
17550.880.9386MG
29100.880.9186MG
36200.880.9375empty
46520.870.9279MG
56890.850.9057empty

Interfaces

100 interfaces between chains.

  • 2–T · 5220 Ų buried · 110 hydrogen bonds · protein-nucleic
  • 2–S · 4020 Ų buried · 68 hydrogen bonds · protein-nucleic
  • 2–V · 3855 Ų buried · 100 hydrogen bonds · protein-nucleic
  • 2–c · 3705 Ų buried · 75 hydrogen bonds · protein-nucleic
  • 2–W · 3498 Ų buried · 72 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 7A1G · Structure of a crosslinked yeast ABCE1-bound 43S pre-initiation complex · the same entry in another collection · chain X against X, TM-score 1.00

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