4QVH
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
- PDB DOI: https://doi.org/10.2210/pdb4QVH/pdb
- Classification: TRANSFERASE
- Organism(s): Escherichia coli, Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli
- Mutation(s): No 
- Deposited: 2014-07-15 Released: 2014-12-17 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.191 
- R-Value Work: 0.154 
- R-Value Observed: 0.156 
This is version 2.1 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Maltose-binding periplasmic protein, 4'-phosphopantetheinyl transferase chimera | 598 | Escherichia coli, Mycobacterium tuberculosis H37Rv This entity is chimeric | Mutation(s): 0  Gene Names: malE, pptT | ||
UniProt | |||||
Find proteins for O33336 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore O33336  Go to UniProtKB:  O33336 | |||||
Find proteins for P0AEX9 (Escherichia coli (strain K12)) Explore P0AEX9  Go to UniProtKB:  P0AEX9 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Groups | P0AEX9O33336 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
COA Query on COA | E [auth A], L [auth B] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N | |||
FLC Query on FLC | K [auth A], Q [auth B] | CITRATE ANION C6 H5 O7 KRKNYBCHXYNGOX-UHFFFAOYSA-K | |||
GOL Query on GOL | G [auth A] H [auth A] I [auth A] J [auth A] N [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
MG Query on MG | F [auth A], M [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
---|---|---|---|---|---|
ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_900001 Query on PRD_900001 | C, D | alpha-maltose | Oligosaccharide / Nutrient |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.191 
- R-Value Work: 0.154 
- R-Value Observed: 0.156 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 77.699 | α = 90 |
b = 126.029 | β = 90 |
c = 143.96 | γ = 90 |
Software Name | Purpose |
---|---|
Blu-Ice | data collection |
MOLREP | phasing |
REFMAC | refinement |
XDS | data reduction |
SCALA | data scaling |
Entry History 
Deposition Data
- Released Date: 2014-12-17  Deposition Author(s): Jung, J., Bashiri, G., Johnston, J.M., Baker, E.N.
Revision History (Full details and data files)
- Version 1.0: 2014-12-17
Type: Initial release - Version 1.1: 2017-08-16
Changes: Refinement description, Source and taxonomy - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Database references, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2024-02-28
Changes: Data collection, Database references, Structure summary