3LIJ

Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP

PDB DOI: https://doi.org/10.2210/pdb3LIJ/pdb

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

Deposited: 2010-01-25 Released: 2010-02-02
Deposition Author(s): Qiu, W., Hutchinson, A., Wernimont, A., Walker, J.R., Sullivan, H., Lin, Y.-H., Mackenzie, F., Kozieradzki, I., Cossar, D., Schapira, M., Senisterra, G., Vedadi, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Bochkarev, A., Hui, R., Amani, M., Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.90 Å
R-Value Free: 0.229
R-Value Work: 0.203

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP

Qiu, W., Hutchinson, A., Wernimont, A., Walker, J.R., Sullivan, H., Lin, Y.-H., Mackenzie, F., Kozieradzki, I., Cossar, D., Schapira, M., Senisterra, G., Vedadi, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Bochkarev, A., Hui, R., Amani, M.

To be published.

Macromolecule Content

Total Structure Weight: 57.27 kDa
Atom Count: 4,040
Modelled Residue Count: 465
Deposited Residue Count: 494
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands	A	494	Cryptosporidium parvum Iowa II	Mutation(s): 0 Gene Names: cgd5_820 EC: 2.7.1
UniProt
Find proteins for Q5CS01 (Cryptosporidium parvum (strain Iowa II)) Explore Q5CS01 Go to UniProtKB: Q5CS01
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5CS01
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ANP Query on ANP Download Ideal Coordinates CCD File SDF format, chain G [auth A] MOL2 format, chain G [auth A]	G [auth A]	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C₁₀ H₁₇ N₆ O₁₂ P₃ PVKSNHVPLWYQGJ-KQYNXXCUSA-N		Interactions Focus chain G [auth A] Interactions & Density Focus chain G [auth A]
CA Query on CA Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] SDF format, chain D [auth A] SDF format, chain E [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A]	B [auth A], C [auth A], D [auth A], E [auth A]	CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N		Interactions Focus chain B [auth A] Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain F [auth A] MOL2 format, chain F [auth A]	F [auth A]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain F [auth A] Interactions & Density Focus chain F [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.90 Å
R-Value Free: 0.229
R-Value Work: 0.203
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 57.08	α = 90
b = 88.06	β = 118.07
c = 58.61	γ = 90

Software Package:

Software Name	Purpose
Locally	data collection
BALBES	phasing
BUSTER	refinement
XDS	data reduction
XDS	data scaling

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2010-02-02

Deposition Author(s):

Structural Genomics Consortium (SGC)

Revision History (Full details and data files)

Version 1.0: 2010-02-02
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2024-02-21
Changes: Data collection, Database references, Derived calculations

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3LIJ

Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP

Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)