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MolNFT v1 · #119976 · protein

Structural insights into the interaction of P97 N-terminal domain and shp motif in derlin-1 rhomboid pseudoprotease

5GLF · Transitional endoplasmic reticulum ATPase: “Structural insights into the interaction of P97 N-terminal domain and shp motif in derlin-1 rhomboid…”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #119976 on…

PDB
5GLF
Type
protein
Length
721 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transitional endoplasmic reticulum ATPase; Derlin-1
EC
3.6.4.6
UniProt
P55072, Q9BUN8
Pockets
9 · best druggability 0.72

Structure

x-ray diffraction · 7 distinct chains · 15% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein17016% helix, 41% strandP55072
BDerlin-1protein120% helix, 25% strandQ9BUN8
CTransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein17115% helix, 37% strandP55072
DDerlin-1protein110% helix, 27% strandQ9BUN8
ETransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein16916% helix, 40% strandP55072
F, HDerlin-1protein100% helix, 30% strandQ9BUN8
GTransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein16815% helix, 41% strandP55072

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.720.9917empty
25470.680.7851empty
34910.680.7951empty
43360.580.7635empty
5980.340.7317empty

Interfaces

11 interfaces between chains.

  • A–B · 759 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 757 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 718 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 714 Ų buried · 9 hydrogen bonds · protein-protein
  • C–E · 647 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5GLF · Structural insights into the interaction of p97 N-terminal domain and SHP motif in… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9BUN8 · AlphaFold monomer V2.0 prediction for derlin-1 (Q9BUN8) · a predicted model of the same protein · chain H against A, TM-score 0.39

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