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Crystal structure of the MSL1-MSL2 complex

Analyse Crystal structure of the MSL1-MSL2 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4B7Y
Type
protein
Length
287 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Male-specific lethal 1 homolog; Male-specific lethal 2 homolog
UniProt
Q68DK7, Q9HCI7
Ligands
ZN
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 4 distinct chains · 61% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMale-specific lethal 1 homologprotein3895% helix, 0% strandQ68DK7
BMale-specific lethal 1 homologprotein3792% helix, 0% strandQ68DK7
CMale-specific lethal 2 homologprotein11548% helix, 3% strandQ9HCI7
DMale-specific lethal 2 homologprotein9752% helix, 4% strandQ9HCI7

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1710.590.8921empty
2680.330.7615empty

Interfaces

5 interfaces between chains.

  • A–B · 947 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 736 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 691 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 544 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 520 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4B7Y · Crystal structure of the MSL1-MSL2 complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9HCI7 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase MSL2 (Q9HCI7) · a predicted model of the same protein · chain D against A, TM-score 0.96
  • Q68DK7 · AlphaFold monomer V2.0 prediction for male-specific lethal 1 homolog (Q68DK7) · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

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