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MolNFT v1 · #137402 · protein

Crystal structure of SEC23A/SEC24A/SEC22 complexed with a C-terminal sv sorting motif

5VNH · Protein transport protein SEC23A: “Crystal structure of SEC23A/SEC24A/SEC22 complexed with a C-terminal sv sorting motif”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.84). MolNFT v1 #137402 on GenesisL1: 3D…

PDB
5VNH
Type
protein
Length
1,574 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein transport protein SEC23A; Protein transport protein SEC24A; Vesicle-trafficking…
UniProt
Q15436, O95486, O08547
Ligands
ZN
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein transport protein SEC23Aprotein70734% helix, 23% strandQ15436
BProtein transport protein SEC24Aprotein72930% helix, 21% strandO95486
CVesicle-trafficking protein SEC22Bprotein13538% helix, 27% strandO08547
DC-terminal sv motifprotein30% helix, 0% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111710.840.85115empty
29240.830.85112empty
33750.700.8251empty
42630.660.8325empty
53920.650.7942empty

Interfaces

4 interfaces between chains.

  • A–B · 933 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 750 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 389 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 274 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5VNH · Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal SV sorting motif · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15436 · AlphaFold monomer V2.0 prediction for protein transport protein SEC23A (Q15436) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • O95486 · AlphaFold monomer V2.0 prediction for protein transport protein SEC24A (O95486) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • O08547 · AlphaFold monomer V2.0 prediction for vesicle-trafficking protein SEC22B (O08547) · a predicted model of the same protein · chain C against A, TM-score 0.98

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