2W7T

Trypanosoma brucei CTPS - glutaminase domain with bound acivicin

PDB DOI: https://doi.org/10.2210/pdb2W7T/pdb

Classification: LIGASE
Organism(s): Trypanosoma brucei
Expression System: Escherichia coli BL21(DE3)
Mutation(s): Yes

Deposited: 2008-12-30 Released: 2009-01-13
Deposition Author(s): Welin, M., Moche, M., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Dahlgren, L.G., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, A., Johansson, I., Karlberg, T., Kotenyova, T., Lehtio, L., Nilsson, M.E., Nyman, T., Persson, C., Sagemark, J., Schueler, H., Siponen, M.I., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Weigelt, J., Wikstrom, M., Wisniewska, M., Nordlund, P., Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.262
R-Value Work: 0.199
R-Value Observed: 0.202

wwPDB Validation 3D Report Full Report

This is version 1.4 of the entry. See complete history.

Literature

Trypanosoma Brucei Ctps - Glutaminase Domain with Bound Acivicin

Welin, M., Moche, M., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Dahlgren, L.G., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, A., Johansson, I., Karlberg, T., Kotenyova, T., Lehtio, L., Nilsson, M.E., Nyman, T., Persson, C., Sagemark, J., Schueler, H., Siponen, M.I., Thorsell, A.G., Tresaugues, L., Van Den Berg, S., Weigelt, J., Wikstrom, M., Wisniewska, M., Nordlund, P., Structural Genomics Consortium (SGC)

To be published.

Macromolecule Content

Total Structure Weight: 30.84 kDa
Atom Count: 2,173
Modelled Residue Count: 264
Deposited Residue Count: 273
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
PUTATIVE CYTIDINE TRIPHOSPHATE SYNTHASE	A	273	Trypanosoma brucei	Mutation(s): 2 EC: 6.3.4.2
UniProt
Find proteins for Q4GZ95 (Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) Explore Q4GZ95 Go to UniProtKB: Q4GZ95
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q4GZ95
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A]	B [auth A], C [auth A]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain B [auth A] Focus chain C [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A]

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
5CS Query on 5CS	A	L-PEPTIDE LINKING	C₈ H₁₅ N₃ O₅ S		CYS

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.262
R-Value Work: 0.199
R-Value Observed: 0.202
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 50.48	α = 90
b = 63.68	β = 90
c = 76.58	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
XDS	data reduction
XSCALE	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2009-01-13

Deposition Author(s):

Structural Genomics Consortium (SGC)

Revision History (Full details and data files)

Version 1.0: 2009-01-13
Type: Initial release
Version 1.1: 2013-12-04
Changes: Derived calculations, Non-polymer description, Other, Source and taxonomy, Structure summary, Version format compliance
Version 1.2: 2015-05-06
Changes: Database references, Structure summary
Version 1.3: 2017-05-24
Changes: Database references
Version 1.4: 2023-12-13
Changes: Data collection, Database references, Derived calculations, Other, Refinement description

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Help and Resources

2W7T

Trypanosoma brucei CTPS - glutaminase domain with bound acivicin

Trypanosoma Brucei Ctps - Glutaminase Domain with Bound Acivicin

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)