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Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase- like protein (YP_807781.1) from lactobacillus casei atcc 334 at 1.85 a resolution

Analyse Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase- like… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BKX
Type
protein
Length
548 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SAM-dependent methyltransferase
UniProt
Q034N3
Ligands
CL
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSAM-dependent methyltransferaseprotein27445% helix, 14% strandQ034N3

Ligands and binding sites

  • CL · Chloride ion · ion · chains 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18490.740.7858empty
26680.710.7854empty
31370.480.7824empty
4750.320.7418empty

Interfaces

1 interface between chains.

  • A–B · 1461 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3BKX · Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase-like protein… · the same entry in another collection · chain A against A, TM-score 1.00

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