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Crystal structure of titin domain M4, tetragonal form

Analyse Crystal structure of titin domain M4, tetragonal form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3QP3
Type
protein
Length
298 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Titin
EC
2.7.11.1
UniProt
Q8WZ42
Ligands
SO4
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 3% helix, 62% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATitin (EC 2.7.11.1)protein1013% helix, 61% strandQ8WZ42
BTitin (EC 2.7.11.1)protein1003% helix, 62% strandQ8WZ42
CTitin (EC 2.7.11.1)protein973% helix, 64% strandQ8WZ42

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, C, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18500.710.7669empty

Interfaces

3 interfaces between chains.

  • B–C · 448 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 371 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 63 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3QP3 · Crystal structure of titin domain M4, tetragonal form · the same entry in another collection · chain A against A, TM-score 1.00

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