6ZNW

Experimental Data Snapshot

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.3 of the entry. See complete history.

Literature

(2021) Nat Struct Mol Biol 28: 636-638

Organizational Affiliation

VIB-UGent Center for Inflammation Research, Ghent, Belgium. [email protected].

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Citrate lyase, subunit 1	A	421	Methanothrix soehngenii	Mutation(s): 0 Gene Names: ACLY-A EC: 2.3.3.8
UniProt
Find proteins for A0A7K4AG75 (Methanothrix soehngenii) Explore A0A7K4AG75 Go to UniProtKB: A0A7K4AG75
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A7K4AG75
Sequence Annotations Expand
Reference Sequence

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(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Methanosaeta concilii ACLY-B	B	631	Methanothrix soehngenii	Mutation(s): 0 Gene Names: ACLY-B EC: 2.3.3.8
UniProt
Find proteins for A0A7K4AGC1 (Methanothrix soehngenii) Explore A0A7K4AGC1 Go to UniProtKB: A0A7K4AGC1
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A7K4AGC1
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
Q5B (Subject of Investigation/LOI) Query on Q5B Download Ideal Coordinates CCD File SDF format, chain F [auth B] MOL2 format, chain F [auth B] mmCIF format, chain F [auth B]	F [auth B]	(3S)-citryl-Coenzyme A C₂₇ H₄₂ N₇ O₂₂ P₃ S IHVFHZGGMJDGGZ-VPXVXCNZSA-N		Interactions Focus chain F [auth B] Interactions & Density Focus chain F [auth B]
FLC (Subject of Investigation/LOI) Query on FLC Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	CITRATE ANION C₆ H₅ O₇ KRKNYBCHXYNGOX-UHFFFAOYSA-K		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]
PO4 (Subject of Investigation/LOI) Query on PO4 Download Ideal Coordinates CCD File SDF format, chain E [auth A] MOL2 format, chain E [auth A] mmCIF format, chain E [auth A]	E [auth A]	PHOSPHATE ION O₄ P NBIIXXVUZAFLBC-UHFFFAOYSA-K		Interactions Focus chain E [auth A] Interactions & Density Focus chain E [auth A]
MG (Subject of Investigation/LOI) Query on MG Download Ideal Coordinates CCD File SDF format, chain D [auth A] MOL2 format, chain D [auth A] mmCIF format, chain D [auth A]	D [auth A]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain D [auth A] Interactions & Density Focus chain D [auth A]