9NWN | pdb_00009nwn

Deposited: 2025-03-24 Released: 2025-08-27
Deposition Author(s): Doherty, E.E., Bolling, C.B., Wilcox, X.E., Doudna, J.A.
Funding Organization(s): Howard Hughes Medical Institute (HHMI), National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)

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

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
MCpol domain-containing protein	A [auth B], B [auth A]	125	Escherichia coli	Mutation(s): 0 Gene Names: DU321_04150
UniProt
Find proteins for A0A426EXS8 (Escherichia coli) Explore A0A426EXS8 Go to UniProtKB: A0A426EXS8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A426EXS8
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ZAN (Subject of Investigation/LOI) Query on ZAN Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain C [auth B] MOL2 format, chain E [auth A] MOL2 format, chain C [auth B] mmCIF format, chain E [auth A] mmCIF format, chain C [auth B]	C [auth B], E [auth A]	5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine C₁₀ H₁₇ N₆ O₁₂ P₃ WUPFAKUEHUVIDK-KQYNXXCUSA-N		Interactions Focus chain C [auth B] Focus chain E [auth A] Interactions & Density Focus chain C [auth B] Focus chain E [auth A]
MG (Subject of Investigation/LOI) Query on MG Download Ideal Coordinates CCD File SDF format, chain D [auth B] SDF format, chain F [auth A] MOL2 format, chain D [auth B] MOL2 format, chain F [auth A] mmCIF format, chain D [auth B] mmCIF format, chain F [auth A]	D [auth B], F [auth A]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain D [auth B] Focus chain F [auth A] Interactions & Density Focus chain D [auth B] Focus chain F [auth A]

Experimental Data & Validation

Space Group: P 2₁ 2₁ 2

Unit Cell:

Software Package:

Entry History & Funding Information

Deposition Author(s):

Doherty, E.E.

Funding Organization	Location	Grant Number
Howard Hughes Medical Institute (HHMI)	United States	--
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	United States	F32GM153031