7QZL

Deposited: 2022-01-31 Released: 2022-12-07
Deposition Author(s): Bennett, M., Ducrot, L., Vaxelaire-Vergne, C., Grogan, G.
Funding Organization(s): Not funded

Experimental Data Snapshot

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

(2022) ChemCatChem 14

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Amine Dehydrogenase	A [auth D], B [auth A]	346	Cystobacter fuscus	Mutation(s): 1 Gene Names: D187_009359
UniProt
Find proteins for S9Q235 (Cystobacter fuscus (strain ATCC 25194 / DSM 2262 / NBRC 100088 / M29)) Explore S9Q235 Go to UniProtKB: S9Q235
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	S9Q235
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAP Query on NAP Download Ideal Coordinates CCD File SDF format, chain C [auth D] SDF format, chain F [auth A] MOL2 format, chain C [auth D] MOL2 format, chain F [auth A] mmCIF format, chain C [auth D] mmCIF format, chain F [auth A]	C [auth D], F [auth A]	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C₂₁ H₂₈ N₇ O₁₇ P₃ XJLXINKUBYWONI-NNYOXOHSSA-N		Interactions Focus chain C [auth D] Focus chain F [auth A] Interactions & Density Focus chain C [auth D] Focus chain F [auth A]
TRS Query on TRS Download Ideal Coordinates CCD File SDF format, chain D SDF format, chain G [auth A] MOL2 format, chain D MOL2 format, chain G [auth A] mmCIF format, chain D mmCIF format, chain G [auth A]	D, G [auth A]	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C₄ H₁₂ N O₃ LENZDBCJOHFCAS-UHFFFAOYSA-O		Interactions Focus chain D Focus chain G [auth A] Interactions & Density Focus chain D Focus chain G [auth A]
AML (Subject of Investigation/LOI) Query on AML Download Ideal Coordinates CCD File SDF format, chain E [auth D] SDF format, chain H [auth A] MOL2 format, chain E [auth D] MOL2 format, chain H [auth A] mmCIF format, chain E [auth D] mmCIF format, chain H [auth A]	E [auth D], H [auth A]	AMYLAMINE C₅ H₁₃ N DPBLXKKOBLCELK-UHFFFAOYSA-N		Interactions Focus chain E [auth D] Focus chain H [auth A] Interactions & Density Focus chain E [auth D] Focus chain H [auth A]