6Q1R

A hypothetical aminotransferase from Mycobacterium tuberculosis, PLP-bound form

PDB DOI: https://doi.org/10.2210/pdb6Q1R/pdb

Classification: TRANSFERASE
Organism(s): Mycobacterium tuberculosis H37Rv
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2019-08-05 Released: 2020-09-23
Deposition Author(s): Duan, L., Sacchettini, J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.70 ?
R-Value Free: 0.256
R-Value Work: 0.217
R-Value Observed: 0.219

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

A hypothetical aminotransferase from Mycobacterium tuberculosis

Duan, L., Sacchettini, J.

To be published.

Macromolecule Content

Total Structure Weight: 126.83 kDa
Atom Count: 8,765
Modelled Residue Count: 1,134
Deposited Residue Count: 1,164
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Probable amino acid aminotransferase	A, B, C, D	291	Mycobacterium tuberculosis H37Rv	Mutation(s): 0 Gene Names: Rv0812 EC: 4.1.3.38 (UniProt), 2.6.1.21 (UniProt)
UniProt
Find proteins for Q79FW0 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore Q79FW0 Go to UniProtKB: Q79FW0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q79FW0
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PLP (Subject of Investigation/LOI) Query on PLP Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain K [auth D] SDF format, chain H [auth B] SDF format, chain I [auth C] MOL2 format, chain E [auth A] MOL2 format, chain K [auth D] MOL2 format, chain H [auth B] MOL2 format, chain I [auth C] mmCIF format, chain E [auth A] mmCIF format, chain K [auth D] mmCIF format, chain H [auth B] mmCIF format, chain I [auth C]	E [auth A], H [auth B], I [auth C], K [auth D]	PYRIDOXAL-5'-PHOSPHATE C₈ H₁₀ N O₆ P NGVDGCNFYWLIFO-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain H [auth B] Focus chain I [auth C] Focus chain K [auth D] Interactions & Density Focus chain E [auth A] Focus chain H [auth B] Focus chain I [auth C] Focus chain K [auth D]
CIT Query on CIT Download Ideal Coordinates CCD File SDF format, chain J [auth C] SDF format, chain F [auth A] MOL2 format, chain J [auth C] MOL2 format, chain F [auth A] mmCIF format, chain J [auth C] mmCIF format, chain F [auth A]	F [auth A], J [auth C]	CITRIC ACID C₆ H₈ O₇ KRKNYBCHXYNGOX-UHFFFAOYSA-N		Interactions Focus chain F [auth A] Focus chain J [auth C] Interactions & Density Focus chain F [auth A] Focus chain J [auth C]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain G [auth A] MOL2 format, chain G [auth A] mmCIF format, chain G [auth A]	G [auth A]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain G [auth A] Interactions & Density Focus chain G [auth A]