4R1E: MTIP from Plasmodium falciparum

Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera. Determined by X-ray diffraction at 1.98 Å resolution. Released 12 Nov 2014.

Method: X-ray diffraction
Resolution: 1.98 Å
Organisms: Plasmodium falciparum, Plasmodium falciparum Isolate 3D7
Chains: 2
Atoms: 1,275
Mol. weight: 18.42 kDa
Ligands: 3EC
Released: 12 Nov 2014

Explore 4R1E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4R1E contains 10 α-helices and 6 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	74-84	11
β-strand	86	1	1
β-strand	89	1	1
β-strand	90-91	2	2
α-helix	92-101	10
α-helix	108-118	11
β-strand	121-122	2	2
α-helix	124-133	10
α-helix	141-149	9
β-strand	158-160	3	3
α-helix	161-170	10
α-helix	174-176	3
α-helix	177-187	11
β-strand	192-194	3	3
α-helix	195-203	9

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	803-815	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Myosin A tail domain interacting protein	A	protein	145	Plasmodium falciparum	Q8I4W8 (AlphaFold model)
Myosin-A	B	protein	15	Plasmodium falciparum Isolate 3D7	Q8IDR3 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4R1E_1 Myosin A tail domain interacting protein (chains A)
GSVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYG
DNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQE
AIDALNAFSSEDNIDYKLFCEDILQ

Sequence of entity 2 (B), FASTA

>4R1E_2 Myosin-A (chains B)
GSLLRVQAHIRKKMV

Ligands and cofactors

ID	Name	Formula	Copies
3EC	5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde	C8 H11 N O2 S	1

Primary citation

Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex. Douse, C.H., Vrielink, N., Wenlin, Z. et al. ChemMedChem (2015) 10:134-143. DOI 10.1002/cmdc.201402357 · PubMed

Other PDB entries of the same protein (UniProt Q8I4W8 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4MZJ 1.47 Å, Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a…
4GFT 1.6 Å, Malaria invasion machinery protein-Nanobody complex
2QAC 1.7 Å, The closed MTIP-MyosinA-tail complex from the malaria parasite invasion machinery
4MZK 1.82 Å, Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a…
4AOM 1.94 Å, MTIP and MyoA complex
4MZL 2.01 Å, Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a…
8A12 2.03 Å, Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S
8CDQ 2.21 Å, Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor…
8CDM 2.35 Å, Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor…
9T7I 2.35 Å, Plasmodium falciparum Myosin A full-length, post-rigor state, complexed to the inhibitor…
6ZN3 2.51 Å, Plasmodium facliparum glideosome trimeric sub-complex
6YCY 2.55 Å, Plasmodium falciparum Myosin A full-length, post-rigor state

Browse structure collections

About this viewer

MolViewer shows 4R1E directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.