5TCK

Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine

PDB DOI: https://doi.org/10.2210/pdb5TCK/pdb

Classification: UNKNOWN FUNCTION
Organism(s): Leishmania donovani BPK282A1
Expression System: Escherichia coli BL21
Mutation(s): No

Deposited: 2016-09-15 Released: 2016-11-09
Deposition Author(s): Lin, L.-H., Hou, C.F.D., Loppnau, P., Dong, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.95 Å
R-Value Free: 0.238
R-Value Work: 0.196
R-Value Observed: 0.198

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine

Lin, L.-H., Hou, C.F.D., Loppnau, P., Dong, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)

To be published.

Macromolecule Content

Total Structure Weight: 37.1 kDa
Atom Count: 2,466
Modelled Residue Count: 276
Deposited Residue Count: 314
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Uncharacterized protein	A, B	157	Leishmania donovani BPK282A1	Mutation(s): 0 Gene Names: LDBPK_091320
UniProt
Find proteins for A0A3Q8I8I6 (Leishmania donovani) Explore A0A3Q8I8I6 Go to UniProtKB: A0A3Q8I8I6
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A3Q8I8I6
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BMF Query on BMF Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain G [auth B] MOL2 format, chain C [auth A] MOL2 format, chain G [auth B]	C [auth A], G [auth B]	Bromosporine C₁₇ H₂₀ N₆ O₄ S UYBRROMMFMPJAN-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain G [auth B] Interactions & Density Focus chain C [auth A] Focus chain G [auth B]
BME Query on BME Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain H [auth B] MOL2 format, chain D [auth A] MOL2 format, chain H [auth B]	D [auth A], H [auth B]	BETA-MERCAPTOETHANOL C₂ H₆ O S DGVVWUTYPXICAM-UHFFFAOYSA-N		Interactions Focus chain D [auth A] Focus chain H [auth B] Interactions & Density Focus chain D [auth A] Focus chain H [auth B]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain J [auth B] MOL2 format, chain F [auth A] MOL2 format, chain J [auth B]	F [auth A], J [auth B]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain F [auth A] Focus chain J [auth B] Interactions & Density Focus chain F [auth A] Focus chain J [auth B]
SX Query on SX Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain I [auth B] MOL2 format, chain E [auth A] MOL2 format, chain I [auth B]	E [auth A], I [auth B]	SULFUR OXIDE O S XTQHKBHJIVJGKJ-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain I [auth B] Interactions & Density Focus chain E [auth A] Focus chain I [auth B]