Macromolecule Content

Total Structure Weight: 765.20 kDa
Atom Count: 50536
Modelled Residue Count: 6318
Deposited Residue Count: 6708
Unique protein chains: 14

7LXT

Structure of Plasmodium falciparum 20S proteasome with bound bortezomib

DOI: 10.2210/pdb7LXT/pdb
EMDataResource: EMD-23574

Classification: HYDROLASE
Organism(s): Plasmodium falciparum 3D7
Mutation(s): No

Deposited: 2021-03-05 Released: 2021-09-22
Deposition Author(s): Morton, C.J., Metcalfe, R.D., Liu, B., Xie, S.C., Hanssen, E., Leis, A.P., Tilley, L., Griffin, M.D.W.
Funding Organization(s): Global Health Innovative Technology Fund, Australian Research Council (ARC)

Experimental Data Snapshot

Method: ELECTRON MICROSCOPY
Resolution: 3.40 Å
Aggregation State: PARTICLE
Reconstruction Method: SINGLE PARTICLE

wwPDB Validation 3D Report Full Report

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

Literature

Proteasome endopeptidase complex

Xie, S.C., Tilley, L.

To be published.

Macromolecules

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Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-1 subunit	A, O	260	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0807500 EC: 3.4.25.1
UniProt
Find proteins for Q8IAR3 (Plasmodium falciparum (isolate 3D7)) Explore Q8IAR3 Go to UniProtKB: Q8IAR3
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Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-2 subunit	B, P	235	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0608500 EC: 3.4.25.1
UniProt
Find proteins for C6KST3 (Plasmodium falciparum (isolate 3D7)) Explore C6KST3 Go to UniProtKB: C6KST3
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Reference Sequence

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Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-3 subunit	C, Q	246	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_1353800 EC: 3.4.25.1
UniProt
Find proteins for Q8IDG3 (Plasmodium falciparum (isolate 3D7)) Explore Q8IDG3 Go to UniProtKB: Q8IDG3
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Reference Sequence

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Entity ID: 4
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-4 subunit	D, R	241	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_1353900 EC: 3.4.25.1
UniProt
Find proteins for Q8IDG2 (Plasmodium falciparum (isolate 3D7)) Explore Q8IDG2 Go to UniProtKB: Q8IDG2
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Reference Sequence

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Entity ID: 5
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-5 subunit	E, S	256	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0727400 EC: 3.4.25.1
UniProt
Find proteins for Q8IBI3 (Plasmodium falciparum (isolate 3D7)) Explore Q8IBI3 Go to UniProtKB: Q8IBI3
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Reference Sequence

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Entity ID: 6
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-6 subunit	F, T	254	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_1474800 EC: 3.4.25.1
UniProt
Find proteins for Q8IK90 (Plasmodium falciparum (isolate 3D7)) Explore Q8IK90 Go to UniProtKB: Q8IK90
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Reference Sequence

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Entity ID: 7
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome alpha-7 subunit	G, U	252	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0317000 EC: 3.4.25.1
UniProt
Find proteins for O77396 (Plasmodium falciparum (isolate 3D7)) Explore O77396 Go to UniProtKB: O77396
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Reference Sequence

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Entity ID: 8
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-1 subunit	H, V	252	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0931800 EC: 3.4.25.1
UniProt
Find proteins for Q8I0U7 (Plasmodium falciparum (isolate 3D7)) Explore Q8I0U7 Go to UniProtKB: Q8I0U7
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Reference Sequence

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Entity ID: 9
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-2 subunit	I, W	229	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_1328100 EC: 3.4.25.1
UniProt
Find proteins for Q8I6T3 (Plasmodium falciparum (isolate 3D7)) Explore Q8I6T3 Go to UniProtKB: Q8I6T3
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Reference Sequence

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Entity ID: 10
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-3 subunit	J, X	218	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0108000 EC: 3.4.25.1
UniProt
Find proteins for Q8I261 (Plasmodium falciparum (isolate 3D7)) Explore Q8I261 Go to UniProtKB: Q8I261
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Entity ID: 11
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-4 subunit	K, Y	195	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_1470900 EC: 3.4.25.1
UniProt
Find proteins for Q8IKC9 (Plasmodium falciparum (isolate 3D7)) Explore Q8IKC9 Go to UniProtKB: Q8IKC9
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Entity ID: 12
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-5 subunit	L, Z	211	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_1011400 EC: 3.4.25.1
UniProt
Find proteins for Q8IJT1 (Plasmodium falciparum (isolate 3D7)) Explore Q8IJT1 Go to UniProtKB: Q8IJT1
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Reference Sequence

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Entity ID: 13
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-6 subunit	M, AA [auth a]	240	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0518300 EC: 3.4.25.1
UniProt
Find proteins for A0A5K1K7U1 (Plasmodium falciparum (isolate 3D7)) Explore A0A5K1K7U1 Go to UniProtKB: A0A5K1K7U1
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Entity ID: 14
Molecule	Chains	Sequence Length	Organism	Details	Image
20S proteasome beta-7 subunit	N, BA [auth b]	265	Plasmodium falciparum 3D7	Mutation(s): 0 Gene Names: PF3D7_0803800 EC: 3.4.25.1
UniProt
Find proteins for Q7K6A9 (Plasmodium falciparum (isolate 3D7)) Explore Q7K6A9 Go to UniProtKB: Q7K6A9
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Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BO2 (Subject of Investigation/LOI) Query on BO2 Download Ideal Coordinates CCD File SDF format, chain CA [auth H] SDF format, chain DA [auth I] SDF format, chain EA [auth L] SDF format, chain FA [auth V] SDF format, chain GA [auth W] SDF format, chain HA [auth Z] MOL2 format, chain CA [auth H] MOL2 format, chain DA [auth I] MOL2 format, chain EA [auth L] MOL2 format, chain FA [auth V] MOL2 format, chain GA [auth W] MOL2 format, chain HA [auth Z]	CA [auth H], DA [auth I], EA [auth L], FA [auth V], GA [auth W], HA [auth Z]	N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE C₁₉ H₂₅ B N₄ O₄ GXJABQQUPOEUTA-RDJZCZTQSA-N		Ligand Interaction