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MolNFT v1 · #69084 · protein

Ternary complex of TGF-B1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily

3KFD · Transforming growth factor beta-1: “Ternary complex of TGF-B1 reveals isoform-specific ligand recognition and receptor recruitment in the…”. X-ray diffraction, 19 pockets (best druggability 0.69). MolNFT v1 #69084 on GenesisL1: 3D…

PDB
3KFD
Type
protein
Length
1,149 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transforming growth factor beta-1; TGF-beta receptor type-2; TGF-beta receptor type-1
UniProt
P01137, P37173, P36897
Pockets
19 · best druggability 0.69

Structure

x-ray diffraction · 6 distinct chains · 7% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DTransforming growth factor beta-1protein11219% helix, 44% strandP01137
ETGF-beta receptor type-2protein1083% helix, 43% strandP37173
F, HTGF-beta receptor type-2protein1063% helix, 42% strandP37173
I, KTGF-beta receptor type-1protein665% helix, 26% strandP36897
J, LTGF-beta receptor type-1protein709% helix, 37% strandP36897
GTGF-beta receptor type-2protein1093% helix, 44% strandP37173

Pockets

19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15250.690.7957empty
25110.670.7857empty
32400.570.7832empty
41990.560.7928empty
52960.540.7537empty

Interfaces

23 interfaces between chains.

  • A–B · 1401 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 1399 Ų buried · 10 hydrogen bonds · protein-protein
  • C–L · 664 Ų buried · 1 hydrogen bond · protein-protein
  • A–J · 658 Ų buried · 1 hydrogen bond · protein-protein
  • D–K · 560 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 62 disulfide (disulfide).

Compared structures

  • 3KFD · Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor… · the same entry in another collection · chain L against L, TM-score 1.00

Analyse

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