5U9N

Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine

PDB DOI: https://doi.org/10.2210/pdb5U9N/pdb

Classification: SIGNALING PROTEIN
Organism(s): Cryptosporidium parvum Iowa II
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2016-12-16 Released: 2017-01-18
Deposition Author(s): Hou, C.F.D., Lin, Y.H., Loppnau, P., Hutchinson, A., 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: 2.40 Å
R-Value Free: 0.256
R-Value Work: 0.225
R-Value Observed: 0.226

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine

Hou, C.F.D., Lin, Y.H., Loppnau, P., Hutchinson, A., 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: 36.63 kDa
Atom Count: 2,098
Modelled Residue Count: 245
Deposited Residue Count: 302
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Bromo domain containing protein	A, B	151	Cryptosporidium parvum Iowa II	Mutation(s): 0 Gene Names: cgd4_1340
UniProt
Find proteins for Q5CQB7 (Cryptosporidium parvum (strain Iowa II)) Explore Q5CQB7 Go to UniProtKB: Q5CQB7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5CQB7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 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 E [auth B] MOL2 format, chain C [auth A] MOL2 format, chain E [auth B]	C [auth A], E [auth B]	Bromosporine C₁₇ H₂₀ N₆ O₄ S UYBRROMMFMPJAN-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain E [auth B] Interactions & Density Focus chain C [auth A] Focus chain E [auth B]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain D [auth A] MOL2 format, chain D [auth A]	D [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain D [auth A] Interactions & Density Focus chain D [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.40 Å
R-Value Free: 0.256
R-Value Work: 0.225
R-Value Observed: 0.226
Space Group: F 2 2 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 62.119	α = 90
b = 186.124	β = 90
c = 195.176	γ = 90

Software Package:

Software Name	Purpose
Aimless	data scaling
BUSTER	refinement
PDB_EXTRACT	data extraction
PHASER	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2017-01-18

Deposition Author(s):

Structural Genomics Consortium (SGC)

Revision History (Full details and data files)

Version 1.0: 2017-01-18
Type: Initial release
Version 1.1: 2018-01-24
Changes: Database references, Structure summary
Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description

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Help and Resources

5U9N

Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine

Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

Expand

Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)