4XWG

Crystal Structure of LCAT (C31Y) in complex with Fab1


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.65 Å
  • R-Value Free: 
    0.251 (Depositor), 0.186 (DCC) 
  • R-Value Work: 
    0.176 (Depositor), 0.183 (DCC) 
  • R-Value Observed: 
    0.180 (Depositor) 

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Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted NAGClick on this verticalbar to view details

This is version 1.4 of the entry. See complete history


Literature

The high-resolution crystal structure of human LCAT.

Piper, D.E.Romanow, W.G.Gunawardane, R.N.Fordstrom, P.Masterman, S.Pan, O.Thibault, S.T.Zhang, R.Meininger, D.Schwarz, M.Wang, Z.King, C.Zhou, M.Walker, N.P.

(2015) J Lipid Res 56: 1711-1719

  • DOI: https://doi.org/10.1194/jlr.M059873
  • Primary Citation of Related Structures:  
    4XWG, 4XX1

  • PubMed Abstract: 

    LCAT is intimately involved in HDL maturation and is a key component of the reverse cholesterol transport (RCT) pathway which removes excess cholesterol molecules from the peripheral tissues to the liver for excretion. Patients with loss-of-function LCAT mutations exhibit low levels of HDL cholesterol and corneal opacity. Here we report the 2.65 Å crystal structure of the human LCAT protein. Crystallization required enzymatic removal of N-linked glycans and complex formation with a Fab fragment from a tool antibody. The crystal structure reveals that LCAT has an α/β hydrolase core with two additional subdomains that play important roles in LCAT function. Subdomain 1 contains the region of LCAT shown to be required for interfacial activation, while subdomain 2 contains the lid and amino acids that shape the substrate binding pocket. Mapping the naturally occurring mutations onto the structure provides insight into how they may affect LCAT enzymatic activity.


  • Organizational Affiliation

    Therapeutic Discovery Amgen Inc., South San Francisco, CA 94080.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Fab1 Light ChainA [auth L]213Homo sapiensMutation(s): 0 
Entity Groups  
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Sequence Annotations
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  • Reference Sequence
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Fab1 Heavy ChainB [auth H]238Homo sapiensMutation(s): 0 
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  • Reference Sequence
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
Phosphatidylcholine-sterol acyltransferaseC [auth A]422Homo sapiensMutation(s): 1 
Gene Names: LCAT
EC: 2.3.1.43 (PDB Primary Data), 3.1.1.47 (UniProt)
Membrane Entity: Yes 
UniProt & NIH Common Fund Data Resources
Find proteins for P04180 (Homo sapiens)
Explore P04180 
Go to UniProtKB:  P04180
PHAROS:  P04180
GTEx:  ENSG00000213398 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP04180
Glycosylation
Glycosylation Sites: 3Go to GlyGen: P04180-1
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
NAG
Query on NAG

Download Ideal Coordinates CCD File 
H [auth A],
I [auth A],
J [auth A]
2-acetamido-2-deoxy-beta-D-glucopyranose
C8 H15 N O6
OVRNDRQMDRJTHS-FMDGEEDCSA-N
ZN
Query on ZN

Download Ideal Coordinates CCD File 
D [auth L]
E [auth L]
F [auth L]
G [auth L]
K [auth A]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.65 Å
  • R-Value Free:  0.251 (Depositor), 0.186 (DCC) 
  • R-Value Work:  0.176 (Depositor), 0.183 (DCC) 
  • R-Value Observed: 0.180 (Depositor) 
Space Group: H 3
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 168.59α = 90
b = 168.59β = 90
c = 93.57γ = 120
Software Package:
Software NamePurpose
PHENIXrefinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing

Structure Validation

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Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted NAGClick on this verticalbar to view details

Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2015-07-29
    Type: Initial release
  • Version 1.1: 2015-08-05
    Changes: Database references
  • Version 1.2: 2015-09-09
    Changes: Database references
  • Version 1.3: 2020-07-29
    Type: Remediation
    Reason: Carbohydrate remediation
    Changes: Data collection, Database references, Derived calculations, Structure summary
  • Version 1.4: 2024-11-20
    Changes: Data collection, Database references, Structure summary