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MolNFT v1 · #42648 · protein

Ligand bound to a model peptide that mimics the open fusogenic form

2KP8: “Ligand bound to a model peptide that mimics the open fusogenic form”. Solution nmr, 1 ligand (XIG). MolNFT v1 #42648 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2KP8
Type
protein
Length
216 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Model peptide
Ligands
XIG

Structure

solution nmr · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CModel peptideprotein7279% helix, 0% strand—

Ligands and binding sites

  • XIG · 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid · ligand · chains A, B

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

Interfaces

3 interfaces between chains.

  • A–C · 1390 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1359 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 1205 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2KP8 · Ligand bound to a model peptide that mimics the open fusogenic form · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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