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Crystal structure of the complex of bmp-2 and the first von willebrand domain type C of crossveinless-2

Analyse Crystal structure of the complex of bmp-2 and the first von willebrand domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BK3
Type
protein
Length
342 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bone morphogenetic protein 2; Crossveinless 2
UniProt
P12643, Q5D734
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBone morphogenetic protein 2protein10415% helix, 46% strandP12643
C, DCrossveinless 2protein670% helix, 30% strandQ5D734

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11720.480.7630empty
2550.300.7615empty

Interfaces

5 interfaces between chains.

  • A–B · 1229 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 739 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 724 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 166 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 161 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 3BK3 · Crystal structure of the complex of BMP-2 and the first Von Willebrand domain type C of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P12643 · AlphaFold monomer V2.0 prediction for bone morphogenetic protein 2 (P12643) · a predicted model of the same protein · chain B against A, TM-score 0.90

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