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MolNFT v1 · #189217 · protein

Crystal structure of the spnl

7V6H · Cyclopropane fatty-acyl-phospholipid synthase-like…: “Crystal structure of the spnl”. X-ray diffraction, 1 ligand (SAH), 4 pockets (best druggability 0.69). MolNFT v1 #189217 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7V6H
Type
protein
Length
534 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclopropane fatty-acyl-phospholipid synthase-like methyltransferase
UniProt
A0A2N3Y640
Ligands
SAH
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCyclopropane fatty-acyl-phospholipid synthase-like methyltransferaseprotein26748% helix, 21% strandA0A2N3Y640

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15170.690.7958SAH
24360.660.7955SAH
32180.520.7728empty
4720.360.7719empty

Interfaces

1 interface between chains.

  • A–B · 460 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7V6H · Crystal Structure of the SpnL · the same entry in another collection · chain B against B, TM-score 1.00

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