3CSD

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.4 of the entry. See complete history.

Literature

Javidpour, P.

To be published.

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Putative ketoacyl reductase	A [auth B], B [auth A]	281	Streptomyces coelicolor	Mutation(s): 1 Gene Names: actIII EC: 1.3.1
UniProt
Find proteins for P16544 (Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)) Explore P16544 Go to UniProtKB: P16544
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P16544
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NDP Query on NDP Download Ideal Coordinates CCD File SDF format, chain C [auth B] SDF format, chain F [auth A] MOL2 format, chain C [auth B] MOL2 format, chain F [auth A]	C [auth B], F [auth A]	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C₂₁ H₃₀ N₇ O₁₇ P₃ ACFIXJIJDZMPPO-NNYOXOHSSA-N		Interactions Focus chain C [auth B] Focus chain F [auth A] Interactions & Density Focus chain C [auth B] Focus chain F [auth A]
EMO Query on EMO Download Ideal Coordinates CCD File SDF format, chain D [auth B] SDF format, chain E [auth B] SDF format, chain G [auth A] SDF format, chain H [auth A] MOL2 format, chain D [auth B] MOL2 format, chain E [auth B] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A]	D [auth B], E [auth B], G [auth A], H [auth A]	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE C₁₅ H₁₀ O₅ RHMXXJGYXNZAPX-UHFFFAOYSA-N		Interactions Focus chain D [auth B] Focus chain E [auth B] Focus chain G [auth A] Focus chain H [auth A] Interactions & Density Focus chain D [auth B] Focus chain E [auth B] Focus chain G [auth A] Focus chain H [auth A]