9HKK | pdb_00009hkk

Structure of the malarial hexose transporter 1 (PfHT1) in complex with 2,5-anhydro-D-mannitol.

PDB DOI: https://doi.org/10.2210/pdb9HKK/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Plasmodium falciparum
Expression System: Saccharomyces cerevisiae
Mutation(s): No

Deposited: 2024-12-03 Released: 2025-12-17
Deposition Author(s): Ahn, D., Gulati, A., Claesson, M., Drew, D.
Funding Organization(s): Knut and Alice Wallenberg Foundation

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 3.55 Å
R-Value Free:
0.276 (Depositor), 0.273 (DCC)
R-Value Work:
0.233 (Depositor), 0.234 (DCC)
R-Value Observed:
0.235 (Depositor)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

A Conformational-Selection-Fit model for Sugar Transport

Ahn, D., Gulati, A., Claesson, M., Drew, D.

To be published.

Macromolecule Content

Total Structure Weight: 228.25 kDa
Atom Count: 15,321
Modeled Residue Count: 1,911
Deposited Residue Count: 1,984
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Hexose transporter 1	A, B, C, D	496	Plasmodium falciparum	Mutation(s): 0 Gene Names: ht1
UniProt
Find proteins for O97467 (Plasmodium falciparum) Explore O97467 Go to UniProtKB: O97467
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O97467
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BNG Query on BNG Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain I [auth B] SDF format, chain J [auth B] SDF format, chain K [auth B] SDF format, chain L [auth B] SDF format, chain M [auth B] SDF format, chain O [auth C] SDF format, chain P [auth C] SDF format, chain Q [auth C] SDF format, chain S [auth C] SDF format, chain T [auth D] SDF format, chain U [auth D] MOL2 format, chain E [auth A] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain I [auth B] MOL2 format, chain J [auth B] MOL2 format, chain K [auth B] MOL2 format, chain L [auth B] MOL2 format, chain M [auth B] MOL2 format, chain O [auth C] MOL2 format, chain P [auth C] MOL2 format, chain Q [auth C] MOL2 format, chain S [auth C] MOL2 format, chain T [auth D] MOL2 format, chain U [auth D] mmCIF format, chain E [auth A] mmCIF format, chain G [auth A] mmCIF format, chain H [auth A] mmCIF format, chain I [auth B] mmCIF format, chain J [auth B] mmCIF format, chain K [auth B] mmCIF format, chain L [auth B] mmCIF format, chain M [auth B] mmCIF format, chain O [auth C] mmCIF format, chain P [auth C] mmCIF format, chain Q [auth C] mmCIF format, chain S [auth C] mmCIF format, chain T [auth D] mmCIF format, chain U [auth D]	E [auth A] G [auth A] H [auth A] I [auth B] J [auth B] E [auth A], G [auth A], H [auth A], I [auth B], J [auth B], K [auth B], L [auth B], M [auth B], O [auth C], P [auth C], Q [auth C], S [auth C], T [auth D], U [auth D]	nonyl beta-D-glucopyranoside C₁₅ H₃₀ O₆ QFAPUKLCALRPLH-UXXRCYHCSA-N		Interactions Focus chain E [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth B] Focus chain J [auth B] Focus chain K [auth B] Focus chain L [auth B] Focus chain M [auth B] Focus chain O [auth C] Focus chain P [auth C] Focus chain Q [auth C] Focus chain S [auth C] Focus chain T [auth D] Focus chain U [auth D] Interactions & Density Focus chain E [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth B] Focus chain J [auth B] Focus chain K [auth B] Focus chain L [auth B] Focus chain M [auth B] Focus chain O [auth C] Focus chain P [auth C] Focus chain Q [auth C] Focus chain S [auth C] Focus chain T [auth D] Focus chain U [auth D]
A1IVP (Subject of Investigation/LOI) Query on A1IVP Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain N [auth B] SDF format, chain R [auth C] SDF format, chain V [auth D] MOL2 format, chain F [auth A] MOL2 format, chain N [auth B] MOL2 format, chain R [auth C] MOL2 format, chain V [auth D] mmCIF format, chain F [auth A] mmCIF format, chain N [auth B] mmCIF format, chain R [auth C] mmCIF format, chain V [auth D]	F [auth A], N [auth B], R [auth C], V [auth D]	2.5-anhydro-D-mannitol C₆ H₁₂ O₅ MCHWWJLLPNDHGL-KVTDHHQDSA-N		Interactions Focus chain F [auth A] Focus chain N [auth B] Focus chain R [auth C] Focus chain V [auth D] Interactions & Density Focus chain F [auth A] Focus chain N [auth B] Focus chain R [auth C] Focus chain V [auth D]