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Crystal structure of the GGCT site-bound MH1 domain of Smad5 containing a GGGS insertion in the Loop1

Analyse Crystal structure of the GGCT site-bound MH1 domain of Smad5 containing a GGGS… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TCE
Type
protein + DNA
Length
139 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.92
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
Mothers against decapentaplegic homolog 5; DNA…
UniProt
Q99717
Ligands
ZN
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · resolution 2.92 · 2 distinct chains · 37% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMothers against decapentaplegic homolog 5protein12337% helix, 15% strandQ99717
BDNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3')dna16——

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1620.290.7414empty

Interfaces

1 interface between chains.

  • A–B · 377 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 6TCE · Crystal structure of the ggct site-bound MH1 domain of SMAD5 containing a gggs insertion… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99717 · AlphaFold monomer V2.0 prediction for mothers against decapentaplegic homolog 5 (Q99717) · a predicted model of the same protein · chain A against A, TM-score 0.95

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