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Structure of SEC23-SAR1 complexed with the active fragment of SEC31

Analyse Structure of SEC23-SAR1 complexed with the active fragment of SEC31 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QTV
Type
protein
Length
933 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein transport protein SEC23; Small copii coat GTPase SAR1; Protein transport protein…
EC
3.6.5.-
UniProt
P15303, P20606, P38968
Ligands
GNP, ZN, MG
Pockets
13 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein transport protein SEC23protein73332% helix, 25% strandP15303
BSmall copii coat GTPase SAR1 (EC 3.6.5.-)protein16431% helix, 22% strandP20606
DProtein transport protein SEC31protein3611% helix, 0% strandP38968

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A, B
  • ZN · Zinc ion · metal · chains A
  • MG · Magnesium ion · metal · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.770.9721empty
27580.740.7977empty
34050.700.8248empty
44630.690.8052MG, GNP
53190.660.8145empty

Interfaces

3 interfaces between chains.

  • A–B · 1750 Ų buried · 19 hydrogen bonds · protein-protein
  • A–D · 1487 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 543 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2QTV · Structure of Sec23-Sar1 complexed with the active fragment of Sec31 · the same entry in another collection · chain A against A, TM-score 1.00
  • P15303 · AlphaFold monomer V2.0 prediction for protein transport protein SEC23 (P15303) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P20606 · AlphaFold monomer V2.0 prediction for small copii coat GTPase SAR1 (P20606) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P38968 · AlphaFold monomer V2.0 prediction for protein transport protein SEC31 (P38968) · a predicted model of the same protein · chain D against A, TM-score 0.32

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