6ISE

Crystal structure of AMPPNP bound CK2 alpha from C. neoformans

PDB DOI: https://doi.org/10.2210/pdb6ISE/pdb

Classification: TRANSFERASE
Organism(s): Cryptococcus neoformans var. grubii Bt85
Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
Mutation(s): No

Deposited: 2018-11-16 Released: 2019-11-20
Deposition Author(s): Cho, H.S.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.80 ?
R-Value Free: 0.230
R-Value Work: 0.196
R-Value Observed: 0.198

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal structure of AMPPNP bound CK2 alpha from C. neoformans

Cho, H.S.

To be published.

Macromolecule Content

Total Structure Weight: 80.62 kDa
Atom Count: 5,544
Modelled Residue Count: 654
Deposited Residue Count: 676
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Casein kinase II subunit alpha	A [auth B], B [auth A]	338	Cryptococcus neoformans var. grubii Bt85	Mutation(s): 0 Gene Names: C365_06417 EC: 2.7.11.1
UniProt
Find proteins for Q5KF69 (Cryptococcus neoformans var. neoformans serotype D (strain JEC21 / ATCC MYA-565)) Explore Q5KF69 Go to UniProtKB: Q5KF69
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5KF69
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ANP (Subject of Investigation/LOI) Query on ANP Download Ideal Coordinates CCD File SDF format, chain E [auth B] SDF format, chain H [auth A] MOL2 format, chain E [auth B] MOL2 format, chain H [auth A] mmCIF format, chain E [auth B] mmCIF format, chain H [auth A]	E [auth B], H [auth A]	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C₁₀ H₁₇ N₆ O₁₂ P₃ PVKSNHVPLWYQGJ-KQYNXXCUSA-N		Interactions Focus chain E [auth B] Focus chain H [auth A] Interactions & Density Focus chain E [auth B] Focus chain H [auth A]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain C [auth B] SDF format, chain D [auth B] SDF format, chain F [auth A] SDF format, chain G [auth A] MOL2 format, chain C [auth B] MOL2 format, chain D [auth B] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] mmCIF format, chain C [auth B] mmCIF format, chain D [auth B] mmCIF format, chain F [auth A] mmCIF format, chain G [auth A]	C [auth B], D [auth B], F [auth A], G [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain C [auth B] Focus chain D [auth B] Focus chain F [auth A] Focus chain G [auth A] Interactions & Density Focus chain C [auth B] Focus chain D [auth B] Focus chain F [auth A] Focus chain G [auth A]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain I [auth A] MOL2 format, chain I [auth A] mmCIF format, chain I [auth A]	I [auth A]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain I [auth A] Interactions & Density Focus chain I [auth A]