8TX9

Nan Regulatory Protein (core isomerase domain) from Streptococcus pneumoniae

PDB DOI: https://doi.org/10.2210/pdb8TX9/pdb

Classification: TRANSCRIPTION
Organism(s): Streptococcus pneumoniae
Expression System: Escherichia coli BL21
Mutation(s): No

Deposited: 2023-08-23 Released: 2024-09-11
Deposition Author(s): Wood, D.M., Horne, C.R., Panjikar, S., Dobson, R.C.J.
Funding Organization(s): Royal Society of New Zealand, Ministry of Business, Innovation and Employment (New Zealand)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.01 ?
R-Value Free: 0.271
R-Value Work: 0.211
R-Value Observed: 0.213

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Structure of isomerase domain of the nan-regulatory protein (NanR) from Streptococcus pneumoniae

Wood, D.M., Dobson, R.C.J.

To be published.

Macromolecule Content

Total Structure Weight: 132.13 kDa
Atom Count: 6,252
Modelled Residue Count: 746
Deposited Residue Count: 1,135
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
MurR/RpiR family transcriptional regulator	A, B [auth C], C [auth D], D [auth B]	283	Streptococcus pneumoniae	Mutation(s): 0
UniProt
Find proteins for A0A064C3N8 (Streptococcus pneumoniae) Explore A0A064C3N8 Go to UniProtKB: A0A064C3N8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A064C3N8
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BMX (Subject of Investigation/LOI) Query on BMX Download Ideal Coordinates CCD File SDF format, chain K [auth B] SDF format, chain E [auth A] SDF format, chain G [auth C] SDF format, chain I [auth D] MOL2 format, chain K [auth B] MOL2 format, chain E [auth A] MOL2 format, chain G [auth C] MOL2 format, chain I [auth D] mmCIF format, chain K [auth B] mmCIF format, chain E [auth A] mmCIF format, chain G [auth C] mmCIF format, chain I [auth D]	E [auth A], G [auth C], I [auth D], K [auth B]	2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose C₈ H₁₆ N O₉ P BRGMHAYQAZFZDJ-UOLFYFMNSA-N		Interactions Focus chain E [auth A] Focus chain G [auth C] Focus chain I [auth D] Focus chain K [auth B] Interactions & Density Focus chain E [auth A] Focus chain G [auth C] Focus chain I [auth D] Focus chain K [auth B]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain H [auth C] SDF format, chain J [auth D] SDF format, chain L [auth B] MOL2 format, chain F [auth A] MOL2 format, chain H [auth C] MOL2 format, chain J [auth D] MOL2 format, chain L [auth B] mmCIF format, chain F [auth A] mmCIF format, chain H [auth C] mmCIF format, chain J [auth D] mmCIF format, chain L [auth B]	F [auth A], H [auth C], J [auth D], L [auth B]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain F [auth A] Focus chain H [auth C] Focus chain J [auth D] Focus chain L [auth B] Interactions & Density Focus chain F [auth A] Focus chain H [auth C] Focus chain J [auth D] Focus chain L [auth B]