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MolNFT v1 · #105319 · protein

Crystal structure of mtip from plasmodium falciparum in complex with a peptide-fragment chimera

4R1E · Myosin a tail domain interacting protein: “Crystal structure of mtip from plasmodium falciparum in complex with a peptide-fragment chimera”. X-ray diffraction, 1 ligand (3EC). MolNFT v1 #105319 on GenesisL1: 3D structure, binding…

PDB
4R1E
Type
protein
Length
157 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myosin a tail domain interacting protein; Myosin-a
UniProt
Q8I4W8, Q8IDR3
Ligands
3EC

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyosin a tail domain interacting proteinprotein14257% helix, 8% strandQ8I4W8
BMyosin-aprotein1587% helix, 0% strandQ8IDR3

Ligands and binding sites

  • 3EC · 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde · ligand · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 1049 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 4R1E · Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IDR3 · AlphaFold monomer V2.0 prediction for myosin-a (Q8IDR3) · a predicted model of the same protein · chain B against A, TM-score 0.83

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