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MolNFT v1 · #165581 · protein

Crystal structure of a LIPIN/PAH phosphatidic acid phosphatase

6TZY · Nuclear elongation and deformation protein: “Crystal structure of a LIPIN/PAH phosphatidic acid phosphatase”. X-ray diffraction, 1 ligand (CA), 13 pockets (best druggability 0.65). MolNFT v1 #165581 on GenesisL1: 3D structure…

PDB
6TZY
Type
protein
Length
1,063 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear elongation and deformation protein
UniProt
I7MFJ3
Ligands
CA
Pockets
13 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 24% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear elongation and deformation proteinprotein27523% helix, 37% strandI7MFJ3
BNuclear elongation and deformation proteinprotein26524% helix, 34% strandI7MFJ3
CNuclear elongation and deformation proteinprotein26224% helix, 34% strandI7MFJ3
DNuclear elongation and deformation proteinprotein26125% helix, 32% strandI7MFJ3

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains A, B, C, D

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

Pockets

13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16120.650.7667empty
25340.630.7657empty
31730.620.8324empty
41630.530.8023empty
5950.510.8228empty

Interfaces

5 interfaces between chains.

  • A–C · 734 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 300 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 234 Ų buried · 1 hydrogen bond · protein-protein
  • B–D · 126 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 56 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6TZY · Crystal Structure of a lipin/Pah Phosphatidic Acid Phosphatase · the same entry in another collection · chain A against A, TM-score 1.00

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