4JRO

Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (FabG)from Listeria monocytogenes in complex with NADP+

PDB DOI: https://doi.org/10.2210/pdb4JRO/pdb

Classification: OXIDOREDUCTASE
Organism(s): Listeria monocytogenes EGD-e
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2013-03-21 Released: 2013-04-03
Deposition Author(s): Hou, J., Zheng, H., Cooper, D.R., Osinski, T., Shatsman, S., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.92 Å
R-Value Free: 0.201
R-Value Work: 0.163
R-Value Observed: 0.165

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.3 of the entry. See complete history.

Literature

Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (FabG)from Listeria monocytogenes in complex with NADP+

Hou, J., Zheng, H., Cooper, D.R., Osinski, T., Shatsman, S., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)

To be published.

Macromolecule Content

Total Structure Weight: 118.31 kDa
Atom Count: 7,914
Modelled Residue Count: 976
Deposited Residue Count: 1,084
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
FabG protein	A, B, C, D	271	Listeria monocytogenes EGD-e	Mutation(s): 0 Gene Names: fabG, lmo1807, NT01LM1948
UniProt
Find proteins for Q8Y690 (Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)) Explore Q8Y690 Go to UniProtKB: Q8Y690
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8Y690
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAP Query on NAP Download Ideal Coordinates CCD File SDF format, chain E [auth B] SDF format, chain F [auth C] SDF format, chain G [auth D] MOL2 format, chain E [auth B] MOL2 format, chain F [auth C] MOL2 format, chain G [auth D]	E [auth B], F [auth C], G [auth D]	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C₂₁ H₂₈ N₇ O₁₇ P₃ XJLXINKUBYWONI-NNYOXOHSSA-N		Interactions Focus chain E [auth B] Focus chain F [auth C] Focus chain G [auth D] Interactions & Density Focus chain E [auth B] Focus chain F [auth C] Focus chain G [auth D]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.92 Å
R-Value Free: 0.201
R-Value Work: 0.163
R-Value Observed: 0.165
Space Group: P 1 2₁ 1
Diffraction Data: https://doi.org/10.18430/M3NP47

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 64.977	α = 90
b = 93.695	β = 103.84
c = 89.079	γ = 90

Software Package:

Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
REFMAC	refinement
PDB_EXTRACT	data extraction
HKL-3000	data collection
HKL-3000	data reduction
HKL-3000	data scaling
HKL-3000	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2013-04-03

Deposition Author(s):

Center for Structural Genomics of Infectious Diseases (CSGID)

Revision History (Full details and data files)

Version 1.0: 2013-04-03
Type: Initial release
Version 1.1: 2017-11-15
Changes: Refinement description
Version 1.2: 2022-04-13
Changes: Database references, Derived calculations, Structure summary
Version 1.3: 2024-02-28
Changes: Data collection

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4JRO

Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (FabG)from Listeria monocytogenes in complex with NADP+

Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (FabG)from Listeria monocytogenes in complex with NADP+

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)