5FCT

Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate.

PDB DOI: https://doi.org/10.2210/pdb5FCT/pdb

Classification: TRANSFERASE
Organism(s): Mus musculus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2015-12-15 Released: 2016-10-26
Deposition Author(s): Dowiercial, A., Wilk, P., Jarmula, A., Rode, W.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.55 Å
R-Value Free: 0.166
R-Value Work: 0.117
R-Value Observed: 0.120

Starting Model: experimental
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Ligand Structure Quality Assessment

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

Literature

Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme

Dowiercial, A., Jarmula, A., Wilk, P., Rypniewski, W., Kowalska, M., Fraczyk, T., Ciesla, J., Rode, W.

(2016) Struct Chem

DOI: https://doi.org/10.1007/s11224-016-0840-8

Macromolecule Content

Total Structure Weight: 71.57 kDa
Atom Count: 5,711
Modelled Residue Count: 574
Deposited Residue Count: 614
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Thymidylate synthase	A, B	307	Mus musculus	Mutation(s): 0 Gene Names: Tyms, mCG_11630 EC: 2.1.1.45
UniProt
Find proteins for P07607 (Mus musculus) Explore P07607 Go to UniProtKB: P07607
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P07607
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
C2F Query on C2F Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain F [auth B] MOL2 format, chain D [auth A] MOL2 format, chain F [auth B] mmCIF format, chain D [auth A] mmCIF format, chain F [auth B]	D [auth A], F [auth B]	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID C₂₀ H₂₅ N₇ O₆ ZNOVTXRBGFNYRX-STQMWFEESA-N		Interactions Focus chain D [auth A] Focus chain F [auth B] Interactions & Density Focus chain D [auth A] Focus chain F [auth B]
UFP Query on UFP 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] mmCIF format, chain C [auth A] mmCIF format, chain E [auth B]	C [auth A], E [auth B]	5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE C₉ H₁₂ F N₂ O₈ P HFEKDTCAMMOLQP-RRKCRQDMSA-N		Interactions Focus chain C [auth A] Focus chain E [auth B] Interactions & Density Focus chain C [auth A] Focus chain E [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.55 Å
R-Value Free: 0.166
R-Value Work: 0.117
R-Value Observed: 0.120
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 54.224	α = 90
b = 83.302	β = 105.43
c = 68.85	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
CrysalisPro	data reduction
CrysalisPro	data scaling
CrysalisPro	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2016-10-26

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2016-10-26
Type: Initial release
Version 1.1: 2017-09-13
Changes: Data collection
Version 1.2: 2018-04-04
Changes: Data collection
Version 1.3: 2024-01-10
Changes: Data collection, Database references, Refinement description
Version 1.4: 2024-11-06
Changes: Structure summary

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5FCT

Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate.

Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme

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)