8SW9

Plasmodium falciparum M17 (A460S) mutant

PDB DOI: https://doi.org/10.2210/pdb8SW9/pdb

Classification: HYDROLASE
Organism(s): Plasmodium falciparum
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2023-05-17 Released: 2024-04-24
Deposition Author(s): McGowan, S., Suraweera, C., Drinkwater, N.
Funding Organization(s): National Health and Medical Research Council (NHMRC, Australia)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.60 Å
R-Value Free: 0.281
R-Value Work: 0.235
R-Value Observed: 0.237

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

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

Literature

Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.

de Koning-Ward, T.F., Drinkwater, N., Edgar, R.C.S., McGowan, S., Scammells, P.J.

(2024) mBio

Macromolecule Content

Total Structure Weight: 713.39 kDa
Atom Count: 48,010
Modelled Residue Count: 6,149
Deposited Residue Count: 6,336
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Leucine aminopeptidase	A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	528	Plasmodium falciparum	Mutation(s): 4 Gene Names: LAP, PF3D7_1446200 EC: 3.4.11.1 (PDB Primary Data), 3.4.13 (PDB Primary Data)
UniProt
Find proteins for Q8IL11 (Plasmodium falciparum (isolate 3D7)) Explore Q8IL11 Go to UniProtKB: Q8IL11
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8IL11
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
1PE Query on 1PE Download Ideal Coordinates CCD File SDF format, chain CA [auth C] SDF format, chain CB [auth G] SDF format, chain DA [auth C] SDF format, chain DB [auth G] SDF format, chain EA [auth C] SDF format, chain EB [auth G] SDF format, chain GC [auth L] SDF format, chain JB [auth H] SDF format, chain KA [auth D] SDF format, chain LA [auth D] SDF format, chain R [auth A] SDF format, chain RA [auth E] SDF format, chain S [auth A] SDF format, chain SA [auth E] SDF format, chain TB [auth J] SDF format, chain X [auth B] SDF format, chain XA [auth F] SDF format, chain YB [auth K] SDF format, chain ZB [auth K] SDF format, chain MA [auth D] MOL2 format, chain CA [auth C] MOL2 format, chain CB [auth G] MOL2 format, chain DA [auth C] MOL2 format, chain DB [auth G] MOL2 format, chain EA [auth C] MOL2 format, chain EB [auth G] MOL2 format, chain GC [auth L] MOL2 format, chain JB [auth H] MOL2 format, chain KA [auth D] MOL2 format, chain LA [auth D] MOL2 format, chain R [auth A] MOL2 format, chain RA [auth E] MOL2 format, chain S [auth A] MOL2 format, chain SA [auth E] MOL2 format, chain TB [auth J] MOL2 format, chain X [auth B] MOL2 format, chain XA [auth F] MOL2 format, chain YB [auth K] MOL2 format, chain ZB [auth K] MOL2 format, chain MA [auth D] mmCIF format, chain CA [auth C] mmCIF format, chain CB [auth G] mmCIF format, chain DA [auth C] mmCIF format, chain DB [auth G] mmCIF format, chain EA [auth C] mmCIF format, chain EB [auth G] mmCIF format, chain GC [auth L] mmCIF format, chain JB [auth H] mmCIF format, chain KA [auth D] mmCIF format, chain LA [auth D] mmCIF format, chain R [auth A] mmCIF format, chain RA [auth E] mmCIF format, chain S [auth A] mmCIF format, chain SA [auth E] mmCIF format, chain TB [auth J] mmCIF format, chain X [auth B] mmCIF format, chain XA [auth F] mmCIF format, chain YB [auth K] mmCIF format, chain ZB [auth K] mmCIF format, chain MA [auth D]	CA [auth C] CB [auth G] DA [auth C] DB [auth G] EA [auth C] CA [auth C], CB [auth G], DA [auth C], DB [auth G], EA [auth C], EB [auth G], GC [auth L], JB [auth H], KA [auth D], LA [auth D], MA [auth D], R [auth A], RA [auth E], S [auth A], SA [auth E], TB [auth J], X [auth B], XA [auth F], YB [auth K], ZB [auth K]	PENTAETHYLENE GLYCOL C₁₀ H₂₂ O₆ JLFNLZLINWHATN-UHFFFAOYSA-N		Interactions Focus chain CA [auth C] Focus chain CB [auth G] Focus chain DA [auth C] Focus chain DB [auth G] Focus chain EA [auth C] Focus chain EB [auth G] Focus chain GC [auth L] Focus chain JB [auth H] Focus chain KA [auth D] Focus chain LA [auth D] Focus chain MA [auth D] Focus chain R [auth A] Focus chain RA [auth E] Focus chain S [auth A] Focus chain SA [auth E] Focus chain TB [auth J] Focus chain X [auth B] Focus chain XA [auth F] Focus chain YB [auth K] Focus chain ZB [auth K] Interactions & Density Focus chain CA [auth C] Focus chain CB [auth G] Focus chain DA [auth C] Focus chain DB [auth G] Focus chain EA [auth C] Focus chain EB [auth G] Focus chain GC [auth L] Focus chain JB [auth H] Focus chain KA [auth D] Focus chain LA [auth D] Focus chain MA [auth D] Focus chain R [auth A] Focus chain RA [auth E] Focus chain S [auth A] Focus chain SA [auth E] Focus chain TB [auth J] Focus chain X [auth B] Focus chain XA [auth F] Focus chain YB [auth K] Focus chain ZB [auth K]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain AC [auth K] SDF format, chain BA [auth C] SDF format, chain BB [auth G] SDF format, chain BC [auth L] SDF format, chain FA [auth C] SDF format, chain FB [auth G] SDF format, chain FC [auth L] SDF format, chain JA [auth D] SDF format, chain KB [auth H] SDF format, chain OB [auth I] SDF format, chain P [auth A] SDF format, chain PB [auth I] SDF format, chain Q [auth A] SDF format, chain QA [auth E] SDF format, chain TA [auth F] SDF format, chain UB [auth J] SDF format, chain W [auth B] MOL2 format, chain AC [auth K] MOL2 format, chain BA [auth C] MOL2 format, chain BB [auth G] MOL2 format, chain BC [auth L] MOL2 format, chain FA [auth C] MOL2 format, chain FB [auth G] MOL2 format, chain FC [auth L] MOL2 format, chain JA [auth D] MOL2 format, chain KB [auth H] MOL2 format, chain OB [auth I] MOL2 format, chain P [auth A] MOL2 format, chain PB [auth I] MOL2 format, chain Q [auth A] MOL2 format, chain QA [auth E] MOL2 format, chain TA [auth F] MOL2 format, chain UB [auth J] MOL2 format, chain W [auth B] mmCIF format, chain AC [auth K] mmCIF format, chain BA [auth C] mmCIF format, chain BB [auth G] mmCIF format, chain BC [auth L] mmCIF format, chain FA [auth C] mmCIF format, chain FB [auth G] mmCIF format, chain FC [auth L] mmCIF format, chain JA [auth D] mmCIF format, chain KB [auth H] mmCIF format, chain OB [auth I] mmCIF format, chain P [auth A] mmCIF format, chain PB [auth I] mmCIF format, chain Q [auth A] mmCIF format, chain QA [auth E] mmCIF format, chain TA [auth F] mmCIF format, chain UB [auth J] mmCIF format, chain W [auth B]	AC [auth K] BA [auth C] BB [auth G] BC [auth L] FA [auth C] AC [auth K], BA [auth C], BB [auth G], BC [auth L], FA [auth C], FB [auth G], FC [auth L], JA [auth D], KB [auth H], OB [auth I], P [auth A], PB [auth I], Q [auth A], QA [auth E], TA [auth F], UB [auth J], W [auth B]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain AC [auth K] Focus chain BA [auth C] Focus chain BB [auth G] Focus chain BC [auth L] Focus chain FA [auth C] Focus chain FB [auth G] Focus chain FC [auth L] Focus chain JA [auth D] Focus chain KB [auth H] Focus chain OB [auth I] Focus chain P [auth A] Focus chain PB [auth I] Focus chain Q [auth A] Focus chain QA [auth E] Focus chain TA [auth F] Focus chain UB [auth J] Focus chain W [auth B] Interactions & Density Focus chain AC [auth K] Focus chain BA [auth C] Focus chain BB [auth G] Focus chain BC [auth L] Focus chain FA [auth C] Focus chain FB [auth G] Focus chain FC [auth L] Focus chain JA [auth D] Focus chain KB [auth H] Focus chain OB [auth I] Focus chain P [auth A] Focus chain PB [auth I] Focus chain Q [auth A] Focus chain QA [auth E] Focus chain TA [auth F] Focus chain UB [auth J] Focus chain W [auth B]
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain AB [auth G] SDF format, chain CC [auth L] SDF format, chain DC [auth L] SDF format, chain GA [auth D] SDF format, chain GB [auth H] SDF format, chain HA [auth D] SDF format, chain HB [auth H] SDF format, chain LB [auth I] SDF format, chain M [auth A] SDF format, chain MB [auth I] SDF format, chain N [auth A] SDF format, chain NA [auth E] SDF format, chain OA [auth E] SDF format, chain QB [auth J] SDF format, chain RB [auth J] SDF format, chain U [auth B] SDF format, chain UA [auth F] SDF format, chain V [auth B] SDF format, chain VA [auth F] SDF format, chain VB [auth K] SDF format, chain WB [auth K] SDF format, chain Y [auth C] SDF format, chain Z [auth C] SDF format, chain ZA [auth G] MOL2 format, chain AB [auth G] MOL2 format, chain CC [auth L] MOL2 format, chain DC [auth L] MOL2 format, chain GA [auth D] MOL2 format, chain GB [auth H] MOL2 format, chain HA [auth D] MOL2 format, chain HB [auth H] MOL2 format, chain LB [auth I] MOL2 format, chain M [auth A] MOL2 format, chain MB [auth I] MOL2 format, chain N [auth A] MOL2 format, chain NA [auth E] MOL2 format, chain OA [auth E] MOL2 format, chain QB [auth J] MOL2 format, chain RB [auth J] MOL2 format, chain U [auth B] MOL2 format, chain UA [auth F] MOL2 format, chain V [auth B] MOL2 format, chain VA [auth F] MOL2 format, chain VB [auth K] MOL2 format, chain WB [auth K] MOL2 format, chain Y [auth C] MOL2 format, chain Z [auth C] MOL2 format, chain ZA [auth G] mmCIF format, chain AB [auth G] mmCIF format, chain CC [auth L] mmCIF format, chain DC [auth L] mmCIF format, chain GA [auth D] mmCIF format, chain GB [auth H] mmCIF format, chain HA [auth D] mmCIF format, chain HB [auth H] mmCIF format, chain LB [auth I] mmCIF format, chain M [auth A] mmCIF format, chain MB [auth I] mmCIF format, chain N [auth A] mmCIF format, chain NA [auth E] mmCIF format, chain OA [auth E] mmCIF format, chain QB [auth J] mmCIF format, chain RB [auth J] mmCIF format, chain U [auth B] mmCIF format, chain UA [auth F] mmCIF format, chain V [auth B] mmCIF format, chain VA [auth F] mmCIF format, chain VB [auth K] mmCIF format, chain WB [auth K] mmCIF format, chain Y [auth C] mmCIF format, chain Z [auth C] mmCIF format, chain ZA [auth G]	AB [auth G] CC [auth L] DC [auth L] GA [auth D] GB [auth H] AB [auth G], CC [auth L], DC [auth L], GA [auth D], GB [auth H], HA [auth D], HB [auth H], LB [auth I], M [auth A], MB [auth I], N [auth A], NA [auth E], OA [auth E], QB [auth J], RB [auth J], U [auth B], UA [auth F], V [auth B], VA [auth F], VB [auth K], WB [auth K], Y [auth C], Z [auth C], ZA [auth G]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain AB [auth G] Focus chain CC [auth L] Focus chain DC [auth L] Focus chain GA [auth D] Focus chain GB [auth H] Focus chain HA [auth D] Focus chain HB [auth H] Focus chain LB [auth I] Focus chain M [auth A] Focus chain MB [auth I] Focus chain N [auth A] Focus chain NA [auth E] Focus chain OA [auth E] Focus chain QB [auth J] Focus chain RB [auth J] Focus chain U [auth B] Focus chain UA [auth F] Focus chain V [auth B] Focus chain VA [auth F] Focus chain VB [auth K] Focus chain WB [auth K] Focus chain Y [auth C] Focus chain Z [auth C] Focus chain ZA [auth G] Interactions & Density Focus chain AB [auth G] Focus chain CC [auth L] Focus chain DC [auth L] Focus chain GA [auth D] Focus chain GB [auth H] Focus chain HA [auth D] Focus chain HB [auth H] Focus chain LB [auth I] Focus chain M [auth A] Focus chain MB [auth I] Focus chain N [auth A] Focus chain NA [auth E] Focus chain OA [auth E] Focus chain QB [auth J] Focus chain RB [auth J] Focus chain U [auth B] Focus chain UA [auth F] Focus chain V [auth B] Focus chain VA [auth F] Focus chain VB [auth K] Focus chain WB [auth K] Focus chain Y [auth C] Focus chain Z [auth C] Focus chain ZA [auth G]
CO3 Query on CO3 Download Ideal Coordinates CCD File SDF format, chain AA [auth C] SDF format, chain EC [auth L] SDF format, chain IA [auth D] SDF format, chain IB [auth H] SDF format, chain NB [auth I] SDF format, chain O [auth A] SDF format, chain PA [auth E] SDF format, chain SB [auth J] SDF format, chain T [auth B] SDF format, chain WA [auth F] SDF format, chain XB [auth K] SDF format, chain YA [auth G] MOL2 format, chain AA [auth C] MOL2 format, chain EC [auth L] MOL2 format, chain IA [auth D] MOL2 format, chain IB [auth H] MOL2 format, chain NB [auth I] MOL2 format, chain O [auth A] MOL2 format, chain PA [auth E] MOL2 format, chain SB [auth J] MOL2 format, chain T [auth B] MOL2 format, chain WA [auth F] MOL2 format, chain XB [auth K] MOL2 format, chain YA [auth G] mmCIF format, chain AA [auth C] mmCIF format, chain EC [auth L] mmCIF format, chain IA [auth D] mmCIF format, chain IB [auth H] mmCIF format, chain NB [auth I] mmCIF format, chain O [auth A] mmCIF format, chain PA [auth E] mmCIF format, chain SB [auth J] mmCIF format, chain T [auth B] mmCIF format, chain WA [auth F] mmCIF format, chain XB [auth K] mmCIF format, chain YA [auth G]	AA [auth C] EC [auth L] IA [auth D] IB [auth H] NB [auth I] AA [auth C], EC [auth L], IA [auth D], IB [auth H], NB [auth I], O [auth A], PA [auth E], SB [auth J], T [auth B], WA [auth F], XB [auth K], YA [auth G]	CARBONATE ION C O₃ BVKZGUZCCUSVTD-UHFFFAOYSA-L		Interactions Focus chain AA [auth C] Focus chain EC [auth L] Focus chain IA [auth D] Focus chain IB [auth H] Focus chain NB [auth I] Focus chain O [auth A] Focus chain PA [auth E] Focus chain SB [auth J] Focus chain T [auth B] Focus chain WA [auth F] Focus chain XB [auth K] Focus chain YA [auth G] Interactions & Density Focus chain AA [auth C] Focus chain EC [auth L] Focus chain IA [auth D] Focus chain IB [auth H] Focus chain NB [auth I] Focus chain O [auth A] Focus chain PA [auth E] Focus chain SB [auth J] Focus chain T [auth B] Focus chain WA [auth F] Focus chain XB [auth K] Focus chain YA [auth G]