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MolNFT v1 · #146077 · protein + RNA

Human nuclear exosome-MTR4 RNA complex - composite MAP after focused reconstruction

6D6R · Exosome complex component RRP45: “Human nuclear exosome-MTR4 RNA complex - composite MAP after focused reconstruction”. Electron microscopy, 3 ligands (ANP, ZN, MG), 20 pockets (best druggability 0.85). MolNFT v1 #146077 on…

PDB
6D6R
Type
protein + RNA
Length
3,950 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exosome complex component RRP45; Exosome complex component RRP41; Exosome complex…
EC
3.1.13.-, 3.1.26.-, 3.6.4.13
UniProt
Q06265, Q9NPD3, Q96B26, Q9NQT4, Q15024, Q5RKV6, Q9NQT5, Q13868, Q9Y3B2, Q01780, Q9Y2L1, Q99547, P42285
Ligands
ANP, ZN, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 15 distinct chains · 30% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExosome complex component RRP45protein28729% helix, 32% strandQ06265
BExosome complex component RRP41protein24131% helix, 28% strandQ9NPD3
CExosome complex component RRP43protein26528% helix, 33% strandQ96B26
DExosome complex component RRP46protein20831% helix, 35% strandQ9NQT4
EExosome complex component RRP42protein28628% helix, 30% strandQ15024
FExosome complex component MTR3protein25228% helix, 25% strandQ5RKV6
GExosome complex component RRP40protein23716% helix, 30% strandQ9NQT5
HExosome complex component RRP4protein28922% helix, 26% strandQ13868
IExosome complex component CSL4protein1835% helix, 42% strandQ9Y3B2
JExosome component 10 (EC 3.1.13.-)protein110% helix, 0% strandQ01780
KExosome complex exonuclease RRP44 (EC 3.1.13.-, 3.1.26.-)protein85329% helix, 22% strandQ9Y2L1
LM-phase phosphoprotein 6protein6832% helix, 9% strandQ99547
MExosome RNA helicase MTR4 (EC 3.6.4.13)protein70945% helix, 13% strandP42285
NRNA (5'-R(*AP*GP*CP*AP*CP*CP*GP*UP*AP*AP*AP*GP*AP*CP*GP*C)- 3')rna13——
ODNA/RNA (62-mer)rna48——

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains M
  • ZN · Zinc ion · metal · chains K
  • MG · Magnesium ion · metal · chains K, O

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
19120.850.87107empty
211820.850.8690empty
310980.840.85112empty
48290.840.8769empty
510880.820.84122empty

Interfaces

35 interfaces between chains.

  • K–O · 2487 Ų buried · 49 hydrogen bonds · protein-nucleic
  • C–F · 1927 Ų buried · 13 hydrogen bonds · protein-protein
  • G–L · 1874 Ų buried · 20 hydrogen bonds · protein-protein
  • E–H · 1698 Ų buried · 9 hydrogen bonds · protein-protein
  • H–M · 1645 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6D6R · Human nuclear exosome-MTR4 RNA complex - composite map after focused reconstruction · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

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