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Structure of human MDM4 N-terminal domain bound to a single domain antibody

Analyse Structure of human MDM4 N-terminal domain bound to a single domain antibody in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VYR
Type
protein
Length
1,332 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MDM4 protein; Human single domain antibody
UniProt
O15151
Ligands
SO4
Pockets
20 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 14% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DMDM4 proteinprotein8546% helix, 21% strandO15151
E, F, I, J, K, LHuman single domain antibodyprotein1245% helix, 46% strand—
GHuman single domain antibodyprotein12310% helix, 46% strand—
HHuman single domain antibodyprotein1257% helix, 46% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, F, H, D

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

Pockets

20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14520.680.8039empty
22920.620.8030empty
33140.600.7833empty
43500.560.7539SO4
5680.540.8719empty

Interfaces

16 interfaces between chains.

  • A–E · 844 Ų buried · 6 hydrogen bonds · protein-protein
  • B–F · 824 Ų buried · 7 hydrogen bonds · protein-protein
  • D–H · 815 Ų buried · 8 hydrogen bonds · protein-protein
  • C–G · 811 Ų buried · 7 hydrogen bonds · protein-protein
  • F–I · 689 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 2VYR · Structure of human MDM4 N-terminal domain bound to a single domain antibody · the same entry in another collection · chain L against L, TM-score 1.00

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