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Trigger factor ribosome binding domain in complex with 50S

Analyse Trigger factor ribosome binding domain in complex with 50S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1W2B
Type
protein + RNA
Length
6,615 residues
Chains
31
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
23S rRNA; 50S ribosomal protein L39E; 50S ribosomal protein L44E la, HLA, ribosomal…
UniProt
P22452, P32411, P20276, P20279, P12735, P14124, P14135, P12743, P15825, P60617, P29198, P22450, P12737, P60618, P14123, P12733, P14119, P12734, P10970, P12732, P10972, P14116, P10971, P14121, P18138, P12736, P60619, P32410
Ligands
MG, NA, CD, K, CL
Pockets
20 · best druggability 0.90

Structure

x-ray diffraction · 31 distinct chains · 28% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
023S rRNArna2754——
150S ribosomal protein L39Eprotein4641% helix, 0% strandP22452
250S ribosomal protein L44E la, HLA, ribosomal protein L44Eprotein9210% helix, 28% strandP32411
5Trigger factorprotein3520% helix, 0% strand—
95S rRNArna122——
A50S ribosomal protein L2Pprotein23711% helix, 22% strandP20276
B50S ribosomal protein L3Pprotein33712% helix, 33% strandP20279
C50S ribosomal protein L4Pprotein24630% helix, 11% strandP12735
D50S ribosomal protein L5P HMAL5, HL13, ribosomal protein L5protein14026% helix, 19% strandP14124
E50S ribosomal protein L6Pprotein17223% helix, 38% strandP14135
F50S ribosomal protein L7AEprotein11947% helix, 13% strandP12743
G50S ribosomal protein L10Eprotein2983% helix, 0% strandP15825
H50S ribosomal protein L10Eprotein15614% helix, 28% strandP60617
I50S ribosomal protein L13Pprotein14239% helix, 15% strandP29198
J50S ribosomal protein L14Pprotein1326% helix, 38% strandP22450
K50S ribosomal protein L15Pprotein14519% helix, 16% strandP12737
L50S ribosomal protein L15Eprotein19434% helix, 15% strandP60618
M50S ribosomal protein L18Pprotein18638% helix, 13% strandP14123
N50S ribosomal protein L18Eprotein11543% helix, 23% strandP12733
O50S ribosomal protein L19Eprotein14357% helix, 4% strandP14119
P50S ribosomal protein L21Eprotein9511% helix, 29% strandP12734
Q50S ribosomal protein L22P HMAL22, HL23, ribosomal protein L22protein15034% helix, 33% strandP10970
R50S ribosomal protein L23Pprotein8432% helix, 30% strandP12732
SRibosomal protein L24protein11929% helix, 29% strandP10972
T50S ribosomal protein L24Pprotein538% helix, 19% strandP14116
U50S ribosomal protein L24Eprotein6574% helix, 0% strandP10971
V50S ribosomal protein L30Pprotein15438% helix, 14% strandP14121
W50S ribosomal protein L31Eprotein8235% helix, 27% strandP18138
X50S ribosomal protein L32Eprotein14223% helix, 12% strandP12736
Y50S ribosomal protein L37AEprotein7330% helix, 18% strandP60619
ZRibosomal protein L37Eprotein567% helix, 11% strandP32410

Ligands and binding sites

  • MG · Magnesium ion · metal · 117 copies · chains 0, A, C, R, Q, P, V, 1, Z, X, O, I, L, 2, 9, Y, B, J, S
  • NA · Sodium ion · metal · 86 copies · chains 0, B, 1, K, X, 9, I, L, C, 2, H, Q, D, A, P, R, S
  • CD · Cadmium ion · metal · 5 copies · chains 2, N, T, Y, Z
  • K · Potassium ion · metal · 2 copies · chains 0, L
  • CL · Chloride ion · ion · 22 copies · chains 0, 1, I, X, V, 2, A, B, E, J, K, L, D, M, N, P, Q

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
110250.900.9294MG, NA
211230.870.8991empty
312000.870.88115empty
46870.860.9189MG, CL
511730.860.8896MG, NA

Interfaces

57 interfaces between chains.

  • 0–B · 7406 Ų buried · 224 hydrogen bonds · protein-nucleic
  • 0–L · 6812 Ų buried · 161 hydrogen bonds · protein-nucleic
  • 0–A · 6231 Ų buried · 167 hydrogen bonds · protein-nucleic
  • 0–C · 5560 Ų buried · 129 hydrogen bonds · protein-nucleic
  • 0–O · 4344 Ų buried · 113 hydrogen bonds · protein-nucleic

Compared structures

  • 1W2B · Trigger Factor ribosome binding domain in complex with 50S · the same entry in another collection · chain F against F, TM-score 1.00

Analyse

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