8KIF

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

(2024) ACS Catal 14: 4975-4983

Macromolecule Content

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Putative dioxygenase	A [auth B], B [auth A], C, D	305	Mycobacterium marinum M	Mutation(s): 0 Gene Names: MMRN_02610
UniProt
Find proteins for A0A2Z5Y839 (Mycobacterium marinum) Explore A0A2Z5Y839 Go to UniProtKB: A0A2Z5Y839
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A2Z5Y839
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
VY9 (Subject of Investigation/LOI) Query on VY9 Download Ideal Coordinates CCD File SDF format, chain F [auth B] SDF format, chain H [auth A] SDF format, chain J [auth C] SDF format, chain L [auth D] MOL2 format, chain F [auth B] MOL2 format, chain H [auth A] MOL2 format, chain J [auth C] MOL2 format, chain L [auth D]	F [auth B], H [auth A], J [auth C], L [auth D]	(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid C₁₂ H₂₃ N O₄ DKLSSPDDVJYWNG-UHFFFAOYSA-N		Interactions Focus chain F [auth B] Focus chain H [auth A] Focus chain J [auth C] Focus chain L [auth D] Interactions & Density Focus chain F [auth B] Focus chain H [auth A] Focus chain J [auth C] Focus chain L [auth D]
FE2 Query on FE2 Download Ideal Coordinates CCD File SDF format, chain E [auth B] SDF format, chain G [auth A] SDF format, chain I [auth C] SDF format, chain K [auth D] MOL2 format, chain E [auth B] MOL2 format, chain G [auth A] MOL2 format, chain I [auth C] MOL2 format, chain K [auth D]	E [auth B], G [auth A], I [auth C], K [auth D]	FE (II) ION Fe CWYNVVGOOAEACU-UHFFFAOYSA-N		Interactions Focus chain E [auth B] Focus chain G [auth A] Focus chain I [auth C] Focus chain K [auth D] Interactions & Density Focus chain E [auth B] Focus chain G [auth A] Focus chain I [auth C] Focus chain K [auth D]