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Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer

Analyse Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SO5
Type
protein
Length
1,097 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATPase ASNA1; Tail-anchored protein insertion receptor wrb; Calcium signal-modulating…
EC
3.6.-.-
UniProt
O43681, O00258, P49069
Ligands
ZN
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 5 distinct chains · 60% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATPase ASNA1 (EC 3.6.-.-)protein31353% helix, 9% strandO43681
BATPase ASNA1 (EC 3.6.-.-)protein29243% helix, 12% strandO43681
C, DTail-anchored protein insertion receptor wrbprotein14490% helix, 0% strandO00258
ECalcium signal-modulating cyclophilin ligandprotein10375% helix, 0% strandP49069
FCalcium signal-modulating cyclophilin ligandprotein10174% helix, 0% strandP49069

Ligands and binding sites

  • ZN · Zinc ion · metal · 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, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110980.850.8596empty
28070.770.8168empty
33310.750.8639empty
49310.750.7883empty
53710.740.8544empty

Interfaces

13 interfaces between chains.

  • A–B · 1167 Ų buried · 7 hydrogen bonds · protein-protein
  • A–E · 589 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 576 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 522 Ų buried · 10 hydrogen bonds · protein-protein
  • D–E · 461 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6SO5 · Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer · the same entry in another collection · chain F against F, TM-score 1.00
  • O43681 · AlphaFold monomer V2.0 prediction for ATPase GET3 (O43681) · a predicted model of the same protein · chain B against A, TM-score 0.84
  • P49069 · AlphaFold monomer V2.0 prediction for calcium signal-modulating cyclophilin ligand… · a predicted model of the same protein · chain E against A, TM-score 0.82
  • O00258 · AlphaFold monomer V2.0 prediction for guided entry of tail-anchored proteins factor 1… · a predicted model of the same protein · chain C against A, TM-score 0.71

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