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MolNFT v1 · #127488 · protein + RNA

E. COLI expressome

5MY1 · 16S ribosomal RNA: “E. COLI expressome”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.88). MolNFT v1 #127488 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5MY1
Type
protein + RNA
Length
7,094 residues
Chains
26
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S ribosomal RNA; 30S ribosomal protein S3; 30S ribosomal protein S4; 30S ribosomal…
EC
2.7.7.6
UniProt
P0A7V3, P0A7V8, P0A7W1, P02358, P02359, P0A7W7, P0A7X3, P0A7R5, P0A7R9, P0A7S3, P0A7S9, P0AG59, P0ADZ4, P0A7T3, P0AG63, P0A7T7, P0A7U3, P0A7U7, P0A7V0, P68679, P0A7Z4, B1XBY9, P0A8T7, B1X982
Ligands
ZN
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 26 distinct chains · 33% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S ribosomal RNArna1530——
C30S ribosomal protein S3protein20632% helix, 16% strandP0A7V3
D30S ribosomal protein S4protein20537% helix, 8% strandP0A7V8
E30S ribosomal protein S5protein15025% helix, 27% strandP0A7W1
F30S ribosomal protein S6protein10031% helix, 23% strandP02358
G30S ribosomal protein S7protein15049% helix, 1% strandP02359
H30S ribosomal protein S8protein12929% helix, 29% strandP0A7W7
I30S ribosomal protein S9protein12728% helix, 12% strandP0A7X3
J30S ribosomal protein S10protein9815% helix, 21% strandP0A7R5
K30S ribosomal protein S11protein11719% helix, 15% strandP0A7R9
L30S ribosomal protein S12protein1235% helix, 14% strandP0A7S3
M30S ribosomal protein S13protein11442% helix, 2% strandP0A7S9
N30S ribosomal protein S14protein9642% helix, 4% strandP0AG59
O30S ribosomal protein S15protein8865% helix, 0% strandP0ADZ4
P30S ribosomal protein S16protein8221% helix, 16% strandP0A7T3
Q30S ribosomal protein S17protein800% helix, 19% strandP0AG63
R30S ribosomal protein S18protein5533% helix, 0% strandP0A7T7
S30S ribosomal protein S19protein7920% helix, 5% strandP0A7U3
T30S ribosomal protein S20protein8578% helix, 0% strandP0A7U7
B30S ribosomal protein S2protein21843% helix, 6% strandP0A7V0
U30S ribosomal protein S21protein5141% helix, 0% strandP68679
VDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22519% helix, 36% strandP0A7Z4
WDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21621% helix, 33% strandP0A7Z4
XDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein131931% helix, 17% strandB1XBY9
YDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein137236% helix, 12% strandP0A8T7
ZDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7967% helix, 1% strandB1X982

Ligands and binding sites

  • ZN · Zinc ion · metal · chains Y

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
18130.880.91139empty
26620.850.9156empty
311200.850.8693empty
411630.840.8592empty
511140.830.8596empty

Interfaces

56 interfaces between chains.

  • X–Y · 5291 Ų buried · 36 hydrogen bonds · protein-protein
  • A–D · 2939 Ų buried · 64 hydrogen bonds · protein-nucleic
  • A–I · 2874 Ų buried · 81 hydrogen bonds · protein-nucleic
  • A–L · 2682 Ų buried · 69 hydrogen bonds · protein-nucleic
  • A–T · 2237 Ų buried · 46 hydrogen bonds · protein-nucleic

Compared structures

  • 5MY1 · E. coli expressome · the same entry in another collection · chain M against M, TM-score 1.00

Analyse

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