5J5L

CRYSTAL STRUCTURE OF AFMP4P IN COMPLEX WITH ARACHIDONIC ACID

PDB DOI: https://doi.org/10.2210/pdb5J5L/pdb

Classification: LIPID BINDING PROTEIN
Organism(s): Aspergillus fumigatus Af293
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2016-04-03 Released: 2017-04-05
Deposition Author(s): Zhang, H., Hao, Q.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.70 ?
R-Value Free: 0.190
R-Value Work: 0.163
R-Value Observed: 0.165

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 Novel Class Of Virulence Factors In Penicillium Marneffei And Aspergillus Fumigatus Enhances Intracellular Survival In Monocytes By Arachidonic Acid Binding

Zhang, H., Hao, Q.

To be published.

Macromolecule Content

Total Structure Weight: 16.87 kDa
Atom Count: 1,311
Modelled Residue Count: 152
Deposited Residue Count: 160
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Uncharacterized protein	A	160	Aspergillus fumigatus Af293	Mutation(s): 0 Gene Names: AFUA_2G17630
UniProt
Find proteins for Q4WZA5 (Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293)) Explore Q4WZA5 Go to UniProtKB: Q4WZA5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q4WZA5
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ACD Query on ACD Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	ARACHIDONIC ACID C₂₀ H₃₂ O₂ YZXBAPSDXZZRGB-DOFZRALJSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.70 ?
R-Value Free: 0.190
R-Value Work: 0.163
R-Value Observed: 0.165
Space Group: I 4 3 2

Unit Cell:

Length ( ? )	Angle ( ? )
a = 124.374	α = 90
b = 124.374	β = 90
c = 124.374	γ = 90

Software Package:

Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
PHASER	phasing
REFMAC	refinement

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2017-04-05

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2017-04-05
Type: Initial release
Version 1.1: 2023-11-08
Changes: Data collection, Database references, Refinement description

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.