6TI3

Apo-SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with D-Threonine

PDB DOI: https://doi.org/10.2210/pdb6TI3/pdb

Classification: TRANSFERASE
Organism(s): Streptococcus thermophilus
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2019-11-21 Released: 2020-04-29
Deposition Author(s): Petrillo, G., Hernandez, K., Bujons, J., Clapes, P., Uson, I.
Funding Organization(s): Spanish Ministry of Economy and Competitiveness

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.96 ?
R-Value Work: 0.181
R-Value Observed: 0.181

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

Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus

Petrillo, G., Hernandez, K., Bujons, J., Clapes, P., Uson, I.

To be published.

Macromolecule Content

Total Structure Weight: 181.02 kDa
Atom Count: 13,368
Modelled Residue Count: 1,640
Deposited Residue Count: 1,664
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Serine hydroxymethyltransferase	A, B [auth C], C [auth B], D	416	Streptococcus thermophilus	Mutation(s): 1 Gene Names: glyA, CDA68_00974, DID82_07515 EC: 2.1.2.1
UniProt
Find proteins for Q5M0B4 (Streptococcus thermophilus (strain CNRZ 1066)) Explore Q5M0B4 Go to UniProtKB: Q5M0B4
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5M0B4
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
DTH (Subject of Investigation/LOI) Query on DTH Download Ideal Coordinates CCD File SDF format, chain H [auth C] SDF format, chain J [auth B] SDF format, chain L [auth D] SDF format, chain F [auth A] MOL2 format, chain H [auth C] MOL2 format, chain J [auth B] MOL2 format, chain L [auth D] MOL2 format, chain F [auth A] mmCIF format, chain H [auth C] mmCIF format, chain J [auth B] mmCIF format, chain L [auth D] mmCIF format, chain F [auth A]	F [auth A], H [auth C], J [auth B], L [auth D]	D-THREONINE C₄ H₉ N O₃ AYFVYJQAPQTCCC-STHAYSLISA-N		Interactions Focus chain F [auth A] Focus chain H [auth C] Focus chain J [auth B] Focus chain L [auth D] Interactions & Density Focus chain F [auth A] Focus chain H [auth C] Focus chain J [auth B] Focus chain L [auth D]
GOL (Subject of Investigation/LOI) Query on GOL Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain G [auth C] SDF format, chain I [auth B] MOL2 format, chain E [auth A] MOL2 format, chain G [auth C] MOL2 format, chain I [auth B] mmCIF format, chain E [auth A] mmCIF format, chain G [auth C] mmCIF format, chain I [auth B]	E [auth A], G [auth C], I [auth B]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain G [auth C] Focus chain I [auth B] Interactions & Density Focus chain E [auth A] Focus chain G [auth C] Focus chain I [auth B]
NA (Subject of Investigation/LOI) Query on NA Download Ideal Coordinates CCD File SDF format, chain K [auth D] MOL2 format, chain K [auth D] mmCIF format, chain K [auth D]	K [auth D]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain K [auth D] Interactions & Density Focus chain K [auth D]