7ED0

Transferase from Mycobacterium tuberculosis

PDB DOI: https://doi.org/10.2210/pdb7ED0/pdb

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

Deposited: 2021-03-15 Released: 2022-03-16
Deposition Author(s): Kim, D.-G., Lee, B.-J., Lee, S.J.
Funding Organization(s): National Research Foundation (NRF, Korea)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.65 Å
R-Value Free: 0.267
R-Value Work: 0.227
R-Value Observed: 0.229

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

Transferase from Mycobacterium tuberculosis

Kim, D.-G., Lee, B.-J., Lee, S.J.

To be published.

Macromolecule Content

Total Structure Weight: 26.77 kDa
Atom Count: 1,903
Modelled Residue Count: 227
Deposited Residue Count: 235
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
4'-phosphopantetheinyl transferase superfamily protein	A	235	Mycobacterium tuberculosis	Mutation(s): 0 Gene Names: AYJ03_014730
UniProt
Find proteins for O33336 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore O33336 Go to UniProtKB: O33336
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O33336
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
COA (Subject of Investigation/LOI) Query on COA Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	COENZYME A C₂₁ H₃₆ N₇ O₁₆ P₃ S RGJOEKWQDUBAIZ-IBOSZNHHSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]
SO4 (Subject of Investigation/LOI) Query on SO4 Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth A] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A]	C [auth A], D [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain C [auth A] Focus chain D [auth A] Interactions & Density Focus chain C [auth A] Focus chain D [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.65 Å
R-Value Free: 0.267
R-Value Work: 0.227
R-Value Observed: 0.229
Space Group: C 2 2 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 97.807	α = 90
b = 121.452	β = 90
c = 49.072	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
PDB_EXTRACT	data extraction
HKL-2000	data reduction
HKL-2000	data scaling
REFMAC	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2022-03-16

Deposition Author(s):

Kim, D.-G.

Lee, B.-J.

Lee, S.J.

Funding Organization	Location	Grant Number
National Research Foundation (NRF, Korea)	Korea, Republic Of	NRF-2018R1A2A1A19018526
National Research Foundation (NRF, Korea)	Korea, Republic Of	NRF-2018R1A5A2024425
National Research Foundation (NRF, Korea)	Korea, Republic Of	2020R1F1A1075828

Revision History (Full details and data files)

Version 1.0: 2022-03-16
Type: Initial release
Version 1.1: 2023-11-29
Changes: Data collection, Refinement description

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7ED0

Transferase from Mycobacterium tuberculosis

Transferase from Mycobacterium tuberculosis

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)