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Crystal structure of NANOCLAMP8:VHH in complex with mtx

Analyse Crystal structure of NANOCLAMP8:VHH in complex with mtx in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RG7
Type
protein
Length
264 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nano clostridial antibody mimetic protein 8 vhh
Ligands
MTX, MG
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANano clostridial antibody mimetic protein 8 vhhprotein2646% helix, 52% strand—

Ligands and binding sites

  • MTX · Methotrexate · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1920.560.8523MTX

Compared structures

  • 7RG7 · Crystal structure of nanoclamp8:VHH in complex with MTX · the same entry in another collection · chain A against A, TM-score 1.00

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