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Crystal structure of the complex of human vitamin D binding protein and rabbit muscle actin

Analyse Crystal structure of the complex of human vitamin D binding protein and rabbit… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MA9
Type
protein
Length
799 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vitamin D-binding protein; Actin, alpha skeletal muscle
UniProt
P02774, P68135
Ligands
ATP, MG
Pockets
13 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVitamin D-binding proteinprotein44268% helix, 0% strandP02774
BActin, alpha skeletal muscleprotein35744% helix, 19% strandP68135

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains B
  • MG · Magnesium ion · metal · chains B

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

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16060.800.8550empty
21020.780.9817empty
3970.750.9621empty
44020.720.8353MG, ATP
55290.690.7854empty

Interfaces

1 interface between chains.

  • A–B · 1900 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 disulfide, 1 modified (disulfide, methylation).

Compared structures

  • 1MA9 · Crystal structure of the complex of human vitamin D binding protein and rabbit muscle… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02774 · AlphaFold monomer V2.0 prediction for vitamin D-binding protein (P02774) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain B against A, TM-score 0.98

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