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Ternary structure of GDF11 bound to actriib-ecd and ALK5-ecd

Analyse Ternary structure of GDF11 bound to actriib-ecd and ALK5-ecd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MAC
Type
protein
Length
283 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GROWTH/DIFFERENTIATION factor 11; Activin receptor type-2B; TGF-beta receptor type-1
EC
2.7.11.30
UniProt
O95390, P38445, P36897
Ligands
NAG
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGROWTH/DIFFERENTIATION factor 11protein10811% helix, 45% strandO95390
CActivin receptor type-2B (EC 2.7.11.30)protein957% helix, 45% strandP38445
KTGF-beta receptor type-1 (EC 2.7.11.30)protein804% helix, 43% strandP36897

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11160.600.8619empty
2880.460.8123empty
3750.370.7721empty
4990.330.7222empty

Interfaces

2 interfaces between chains.

  • A–C · 775 Ų buried · 5 hydrogen bonds · protein-protein
  • A–K · 534 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6MAC · Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD · the same entry in another collection · chain A against A, TM-score 1.00
  • P38445 · AlphaFold monomer V2.0 prediction for activin receptor type-2B (P38445) · a predicted model of the same protein · chain C against A, TM-score 0.97
  • P36897 · AlphaFold monomer V2.0 prediction for TGF-beta receptor type-1 (P36897) · a predicted model of the same protein · chain K against A, TM-score 0.94
  • O95390 · AlphaFold monomer V2.0 prediction for GROWTH/DIFFERENTIATION factor 11 (O95390) · a predicted model of the same protein · chain A against A, TM-score 0.77

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