9EMY | pdb_00009emy

Deposited: 2024-03-11 Released: 2025-03-26
Deposition Author(s): Purkiss, A.G., Ogrodowicz, R.W., Christodoulou, E., Kjaer, S.
Funding Organization(s): The Francis Crick Institute

Experimental Data Snapshot

Starting Model: in silico
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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

Macromolecule Content

Macromolecules

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Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
non-specific serine/threonine protein kinase	A, B, G, H	413	Plasmodium falciparum	Mutation(s): 0 Gene Names: CK202_4380, CYL21_5595 EC: 2.7.11.1
UniProt
Find proteins for A0A2I0BRS6 (Plasmodium falciparum (isolate NF54)) Explore A0A2I0BRS6 Go to UniProtKB: A0A2I0BRS6
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A2I0BRS6
Sequence Annotations Expand
Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Nanobody 9F10	C, D, I, J	136	Lama glama	Mutation(s): 0
Entity Groups
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Reference Sequence

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Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
Nanobody 2G9	E, F, K, L	134	Lama glama	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
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Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
AGS (Subject of Investigation/LOI) Query on AGS Download Ideal Coordinates CCD File SDF format, chain M [auth A] SDF format, chain O [auth B] SDF format, chain P [auth G] SDF format, chain Q [auth H] MOL2 format, chain M [auth A] MOL2 format, chain O [auth B] MOL2 format, chain P [auth G] MOL2 format, chain Q [auth H] mmCIF format, chain M [auth A] mmCIF format, chain O [auth B] mmCIF format, chain P [auth G] mmCIF format, chain Q [auth H]	M [auth A], O [auth B], P [auth G], Q [auth H]	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER C₁₀ H₁₆ N₅ O₁₂ P₃ S NLTUCYMLOPLUHL-KQYNXXCUSA-N		Interactions Focus chain M [auth A] Focus chain O [auth B] Focus chain P [auth G] Focus chain Q [auth H] Interactions & Density Focus chain M [auth A] Focus chain O [auth B] Focus chain P [auth G] Focus chain Q [auth H]
PE4 Query on PE4 Download Ideal Coordinates CCD File SDF format, chain N [auth A] MOL2 format, chain N [auth A] mmCIF format, chain N [auth A]	N [auth A]	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL C₁₆ H₃₄ O₈ PJWQOENWHPEPKI-UHFFFAOYSA-N		Interactions Focus chain N [auth A] Interactions & Density Focus chain N [auth A]