4KOE

Deposited: 2013-05-11 Released: 2014-11-26
Deposition Author(s): Laponogov, I., Pan, X.-S., Veselkov, D.A., Fisher, L.M., Sanderson, M.R.

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
DNA topoisomerase 4 subunit A	A, B	496	Streptococcus pneumoniae TIGR4	Mutation(s): 1 Gene Names: parC, SP_0855 EC: 5.99.1.3
UniProt
Find proteins for P72525 (Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)) Explore P72525 Go to UniProtKB: P72525
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P72525
Sequence Annotations Expand
Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
DNA topoisomerase 4 subunit B	C, D	268	Streptococcus pneumoniae TIGR4	Mutation(s): 2 Gene Names: parE EC: 5.99.1.3
UniProt
Find proteins for Q59961 (Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)) Explore Q59961 Go to UniProtKB: Q59961
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q59961
Sequence Annotations Expand
Reference Sequence

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Entity ID: 3
Molecule	Chains	Length	Organism	Image
E-site DNA1	E	7	N/A
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Reference Sequence

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Entity ID: 4
Molecule	Chains	Length	Organism	Image
E-site DNA2	F	11	N/A
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Reference Sequence

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Entity ID: 5
Molecule	Chains	Length	Organism	Image
E-site DNA3	G	7	N/A
Sequence Annotations Expand
Reference Sequence

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Entity ID: 6
Molecule	Chains	Length	Organism	Image
E-site DNA4	H	11	N/A
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
TR6 Query on TR6 Download Ideal Coordinates CCD File SDF format, chain O [auth F] SDF format, chain P [auth H] MOL2 format, chain O [auth F] MOL2 format, chain P [auth H]	O [auth F], P [auth H]	Trovafloxacin C₂₀ H₁₅ F₃ N₄ O₃ WVPSKSLAZQPAKQ-CDMJZVDBSA-N		Interactions Focus chain O [auth F] Focus chain P [auth H] Interactions & Density Focus chain O [auth F] Focus chain P [auth H]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain K [auth B] SDF format, chain L [auth B] SDF format, chain M [auth C] SDF format, chain N [auth D] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth B] MOL2 format, chain L [auth B] MOL2 format, chain M [auth C] MOL2 format, chain N [auth D]	I [auth A] J [auth A] K [auth B] L [auth B] M [auth C] I [auth A], J [auth A], K [auth B], L [auth B], M [auth C], N [auth D]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth B] Focus chain L [auth B] Focus chain M [auth C] Focus chain N [auth D] Interactions & Density Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth B] Focus chain L [auth B] Focus chain M [auth C] Focus chain N [auth D]