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Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from bartonella henselae

Analyse Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3E60
Type
protein
Length
840 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-oxoacyl-[acyl-carrier-protein ] synthase II
UniProt
Q6G441
Ligands
K
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B3-oxoacyl-[acyl-carrier-protein ] synthase IIprotein42037% helix, 21% strandQ6G441

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.770.9824empty
2530.720.9917empty
32040.680.8634empty
42150.670.8536empty
51360.550.8219empty

Interfaces

1 interface between chains.

  • A–B · 3052 Ų buried · 43 hydrogen bonds · protein-protein

Compared structures

  • 3E60 · Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from Bartonella henselae · the same entry in another collection · chain A against A, TM-score 1.00

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