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The structure of the 2:1 (partially occupied) complex between stearoyl acyl carrier protein desaturase from ricinus communis (castor bean) and acyl carrier protein.

Analyse The structure of the 2:1 (partially occupied) complex between stearoyl acyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XZ0
Type
protein
Length
1,120 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acyl-[acyl-carrier-protein] desaturase, chloroplastic; Acyl carrier protein 1…
EC
1.14.19.2
UniProt
P22337, P07854
Ligands
FE, ZN
Pockets
14 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CAcyl-[acyl-carrier-protein] desaturase, chloroplastic (EC 1.14.19.2)protein34667% helix, 2% strandP22337
DAcyl carrier protein 1, chloroplasticprotein8241% helix, 0% strandP07854

Ligands and binding sites

  • FE · Fe (III) ion · metal · 6 copies · chains A, B, C
  • ZN · Zinc ion · metal · 3 copies · chains A, B, C
  • EDO · 1,2-ethanediol · additive · chains B

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18100.780.8179FE
27500.770.8180empty
35110.740.8262empty
46380.690.7851empty
5570.650.9418empty

Interfaces

4 interfaces between chains.

  • A–B · 2811 Ų buried · 41 hydrogen bonds · protein-protein
  • C–D · 667 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 570 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 407 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 2XZ0 · The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier… · the same entry in another collection · chain A against A, TM-score 1.00
  • P22337 · AlphaFold monomer V2.0 prediction for stearoyl-[acyl-carrier-protein] 9-desaturase… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P07854 · AlphaFold monomer V2.0 prediction for acyl carrier protein 1, chloroplastic (P07854) · a predicted model of the same protein · chain D against A, TM-score 0.87

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