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Structure of Anisomycin resistant 50S Ribosomal Subunit: 23S rRNA mutation U2535A

Analyse Structure of Anisomycin resistant 50S Ribosomal Subunit: 23S rRNA mutation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3CCE
Type
protein + RNA
Length
6,651 residues
Chains
31
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.75
Source
Haloarcula marismortui
Molecule
50S ribosomal protein L2P; 50S ribosomal protein L3P; 50S ribosomal protein L4P; 50S…
UniProt
P20276, P20279, P12735, P14124, P14135, P12743, P15825, P60617, P14122, P29198, P22450, P12737, P60618, P14123, P12733, P14119, P12734, P10970, P12732, P10972, P14116, P10971, P14121, P18138, P12736, P32410, P22452, P32411
Ligands
SR, MG, NA, CD, K, CL
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · resolution 2.75 · 31 distinct chains · 30% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A50S ribosomal protein L2Pprotein23712% helix, 25% strandP20276
B50S ribosomal protein L3Pprotein33714% helix, 32% strandP20279
C50S ribosomal protein L4Pprotein24632% helix, 14% strandP12735
D50S ribosomal protein L5Pprotein14024% helix, 24% strandP14124
E50S ribosomal protein L6Pprotein17223% helix, 39% strandP14135
F50S ribosomal protein L7Aeprotein11949% helix, 15% strandP12743
G50S ribosomal protein L10Eprotein2979% helix, 0% strandP15825
H50S ribosomal protein L10eprotein16024% helix, 25% strandP60617
I50S ribosomal protein L11Pprotein7044% helix, 6% strandP14122
J50S ribosomal protein L13Pprotein14238% helix, 15% strandP29198
K50S ribosomal protein L14Pprotein1328% helix, 36% strandP22450
L50S ribosomal protein L15Pprotein14520% helix, 16% strandP12737
M50S ribosomal protein L15eprotein19433% helix, 16% strandP60618
N50S ribosomal protein L18Pprotein18639% helix, 13% strandP14123
O50S ribosomal protein L18eprotein11545% helix, 23% strandP12733
P50S ribosomal protein L19eprotein14360% helix, 4% strandP14119
Q50S ribosomal protein L21eprotein9514% helix, 32% strandP12734
R50S ribosomal protein L22Pprotein15032% helix, 31% strandP10970
S50S ribosomal protein L23Pprotein8133% helix, 31% strandP12732
T50S ribosomal protein L24Pprotein11929% helix, 29% strandP10972
U50S ribosomal protein L24eprotein5321% helix, 19% strandP14116
V50S ribosomal protein L29Pprotein6574% helix, 0% strandP10971
W50S ribosomal protein L30Pprotein15440% helix, 14% strandP14121
X50S ribosomal protein L31eprotein8243% helix, 23% strandP18138
Y50S ribosomal protein L32eprotein14223% helix, 12% strandP12736
Z50S ribosomal protein L37Aeprotein7334% helix, 22% strand—
150S ribosomal protein L37eprotein5613% helix, 16% strandP32410
250S ribosomal protein L39eprotein4643% helix, 0% strandP22452
350S ribosomal protein L44Eprotein9214% helix, 32% strandP32411
023S ribosomal RNArna2754——
95S ribosomal RNArna122——

Ligands and binding sites

  • SR · Strontium ion · metal · 108 copies · chains A, 0, B, F, R, S, 1, 3, H, M, T, L, Y, J, 9
  • MG · Magnesium ion · metal · 93 copies · chains A, 0, B, K, T, Y, C, 1, S, R, 9, E, W, 2, 3, P, M
  • NA · Sodium ion · metal · 75 copies · chains C, J, 0, M, Q, R, S, B, 2, H, Y, T, 9, L, D
  • CD · Cadmium ion · metal · 5 copies · chains O, U, Z, 1, 3
  • K · Potassium ion · metal · 2 copies · chains 0, M
  • CL · Chloride ion · ion · 22 copies · chains A, B, 0, E, J, L, M, D, N, O, Q, R, 3, 2, K, Y, W

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
111820.870.90111MG, NA, CL, SR
26950.870.9188CL, MG, SR
37960.860.9074empty
411500.860.88110SR
57200.860.9084empty

Interfaces

56 interfaces between chains.

  • B–0 · 7389 Ų buried · 216 hydrogen bonds · protein-nucleic
  • M–0 · 6539 Ų buried · 177 hydrogen bonds · protein-nucleic
  • A–0 · 6294 Ų buried · 177 hydrogen bonds · protein-nucleic
  • C–0 · 5575 Ų buried · 143 hydrogen bonds · protein-nucleic
  • P–0 · 4367 Ų buried · 128 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 5 modified (nucleotide modification).

Compared structures

  • 3CCE · Structure of anisomycin resistant 50S ribosomal subunit: 23S rRNA mutation U2535A · the same entry in another collection · chain E against E, TM-score 1.00

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