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MolNFT v1 · #179195 · protein

Structure of human P97 in complex with atpgammas and NPL4/UFD1 (masked around P97)

7JY5 · Transitional endoplasmic reticulum ATPase: “Structure of human P97 in complex with atpgammas and NPL4/UFD1 (masked around P97)”. Electron microscopy, 2 ligands (AGS, MG), 20 pockets (best druggability 0.84). MolNFT v1 #179195 on…

PDB
7JY5
Type
protein
Length
4,386 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transitional endoplasmic reticulum ATPase
EC
3.6.4.6
UniProt
P55072
Ligands
AGS, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 43% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FTransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein73143% helix, 17% strandP55072

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 12 copies · chains A, F, B, C, D, E
  • MG · Magnesium ion · metal · 12 copies · chains A, F, B, C, D, E

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
17910.840.87115MG, AGS
29610.820.84100empty
38930.820.84123MG, AGS
45890.810.8792MG, AGS
55140.810.8874MG, AGS

Interfaces

6 interfaces between chains.

  • A–F · 3764 Ų buried · 43 hydrogen bonds · protein-protein
  • E–F · 3755 Ų buried · 43 hydrogen bonds · protein-protein
  • D–E · 3750 Ų buried · 43 hydrogen bonds · protein-protein
  • C–D · 3749 Ų buried · 43 hydrogen bonds · protein-protein
  • B–C · 3743 Ų buried · 43 hydrogen bonds · protein-protein

Compared structures

  • 7JY5 · Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) · the same entry in another collection · chain A against A, TM-score 1.00

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