9MIW | pdb_00009miw

Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (PFOA)

PDB DOI: https://doi.org/10.2210/pdb9MIW/pdb

Classification: LIPID BINDING PROTEIN
Organism(s): Homo sapiens
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2024-12-13 Released: 2025-06-11
Deposition Author(s): Birchfield, A.B., Musayev, F.N., Fuglestad, B.
Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.24 ?
R-Value Free:
0.157 (Depositor), 0.157 (DCC)
R-Value Work:
0.124 (Depositor), 0.124 (DCC)
R-Value Observed:
0.126 (Depositor)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Broad PFAS Binding with Fatty Acid Binding Protein 4 Is Enabled by Variable Binding Modes

Birchfield, A.S., Musayev, F.N., Castillo, A.J., Zorn, G., Fuglestad, B.

(2025) JACS Au

DOI: https://doi.org/10.1021/jacsau.5c00504

Macromolecule Content

Total Structure Weight: 15.76 kDa
Atom Count: 1,399
Modeled Residue Count: 134
Deposited Residue Count: 134
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Fatty acid-binding protein, adipocyte	A	134	Homo sapiens	Mutation(s): 0 Gene Names: FABP4
UniProt & NIH Common Fund Data Resources
Find proteins for P15090 (Homo sapiens) Explore P15090 Go to UniProtKB: P15090
PHAROS: P15090 GTEx: ENSG00000170323
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P15090
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
8PF (Subject of Investigation/LOI) Query on 8PF Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A] mmCIF format, chain B [auth A] mmCIF format, chain C [auth A]	B [auth A], C [auth A]	pentadecafluorooctanoic acid C₈ H F₁₅ O₂ SNGREZUHAYWORS-UHFFFAOYSA-N		Interactions Focus chain B [auth A] Focus chain C [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.24 ?
R-Value Free: 0.157 (Depositor), 0.157 (DCC)
R-Value Work: 0.124 (Depositor), 0.124 (DCC)
R-Value Observed: 0.126 (Depositor)

Space Group: C 1 2 1

Unit Cell:

Length ( ? )	Angle ( ? )
a = 118.752	α = 90
b = 37.716	β = 93.02
c = 28.546	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
Aimless	data scaling
CrysalisPro	data reduction
PHASER	phasing

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2025-06-11

Deposition Author(s):

Birchfield, A.B.

Funding Organization	Location	Grant Number
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	United States	R35 GM147221

Revision History (Full details and data files)

Version 1.0: 2025-06-11
Type: Initial release

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.