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Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound adrenomedullin

Analyse Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4RWF
Type
protein
Length
573 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose transporter subunit, receptor activity-modifying protein 2, calcitonin…
UniProt
P0AEX9, O60895, Q16602, P35318
Ligands
GLC, NH2
Pockets
5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose transporter subunit, receptor activity-modifying protein 2, calcitonin gene-related peptide type 1 receptor fusion proteinprotein55544% helix, 17% strandP0AEX9, O60895, Q16602
BAdrenomedullinprotein1822% helix, 6% strandP35318

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
  • NH2 · Amino group · ion · chains A, B
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16010.760.8368EDO
25760.740.8263GLC, EDO
31680.490.7733empty
4680.410.8016empty
5680.330.7616empty

Interfaces

1 interface between chains.

  • A–B · 1017 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 4RWF · Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound… · the same entry in another collection · chain A against A, TM-score 1.00
  • P35318 · AlphaFold monomer V2.0 prediction for pro-adrenomedullin (P35318) · a predicted model of the same protein · chain B against A, TM-score 0.31
  • Q16602 · AlphaFold monomer V2.0 prediction for calcitonin gene-related peptide type 1 receptor… · a predicted model of the same protein · chain A against A, TM-score 0.20
  • O60895 · AlphaFold monomer V2.0 prediction for receptor activity-modifying protein 2 (O60895) · a predicted model of the same protein · chain A against A, TM-score 0.14

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