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MolNFT v1 · #50537 · protein

Crystal structure cation-dependent mannose 6-phosphate receptor at pH 4.8

2RL7 · Cation-dependent mannose-6-phosphate receptor: “Crystal structure cation-dependent mannose 6-phosphate receptor at pH 4.8”. X-ray diffraction, 1 ligand (NAG), 6 pockets (best druggability 0.71). MolNFT v1 #50537 on GenesisL1: 3D…

PDB
2RL7
Type
protein
Length
594 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cation-dependent mannose-6-phosphate receptor
UniProt
P11456
Ligands
NAG
Pockets
6 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACation-dependent mannose-6-phosphate receptorprotein1488% helix, 52% strandP11456
B, CCation-dependent mannose-6-phosphate receptorprotein14710% helix, 52% strandP11456
DCation-dependent mannose-6-phosphate receptorprotein15210% helix, 47% strandP11456

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
  • ACT · Acetate ion · additive · 5 copies · chains B, C, D
  • GOL · Glycerol · additive · 2 copies · chains A, C
  • CAC · Cacodylate ion · additive · chains B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15690.710.7954empty
21440.630.8532empty
31320.560.8328empty
4980.390.7618empty
5970.350.7415empty

Interfaces

4 interfaces between chains.

  • C–D · 865 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 821 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 183 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 151 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 2RL7 · Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 4.8 · the same entry in another collection · chain A against A, TM-score 1.00
  • P11456 · AlphaFold monomer V2.0 prediction for cation-dependent mannose-6-phosphate receptor… · a predicted model of the same protein · chain D against A, TM-score 0.94

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