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MolNFT v1 · #149516 · protein

Crystal structure of the P97 D2 domain in a helical split-washer conformation

6G2V · Transitional endoplasmic reticulum ATPase: “Crystal structure of the P97 D2 domain in a helical split-washer conformation”. X-ray diffraction, 1 ligand (ADP), 4 pockets (best druggability 0.69). MolNFT v1 #149516 on GenesisL1: 3D…

PDB
6G2V
Type
protein
Length
266 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transitional endoplasmic reticulum ATPase
EC
3.6.4.6
UniProt
P55072
Ligands
ADP
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein26655% helix, 12% strandP55072

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.690.9220MPD
21740.530.7823MPD
3640.410.8011MPD
4900.390.7724ADP

Compared structures

  • 6G2V · Crystal structure of the p97 D2 domain in a helical split-washer conformation · the same entry in another collection · chain A against A, TM-score 1.00

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