1YB1

Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.95 Å
  • R-Value Free: 0.192 
  • R-Value Work: 0.162 
  • R-Value Observed: 0.163 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.6 of the entry. See complete history


Literature

Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI.

Lukacik, P.Bunkoczi, G.Kavanagh, K.Ng, S.von Delft, F.Bray, J.Edwards, A.Arrowsmith, C.Sundstrom, M.Oppermann, U.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
17-beta-hydroxysteroid dehydrogenase type XI
A, B
272Homo sapiensMutation(s): 0 
Gene Names: DHRS8
EC: 1.1.1.62
UniProt & NIH Common Fund Data Resources
Find proteins for Q8NBQ5 (Homo sapiens)
Explore Q8NBQ5 
Go to UniProtKB:  Q8NBQ5
PHAROS:  Q8NBQ5
GTEx:  ENSG00000198189 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8NBQ5
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
AOI
Query on AOI

Download Ideal Coordinates CCD File 
H [auth A],
L [auth B]
Androsterone
C19 H30 O2
QGXBDMJGAMFCBF-HLUDHZFRSA-N
SO4
Query on SO4

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F [auth A],
G [auth A]
SULFATE ION
O4 S
QAOWNCQODCNURD-UHFFFAOYSA-L
GOL
Query on GOL

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M [auth B]GLYCEROL
C3 H8 O3
PEDCQBHIVMGVHV-UHFFFAOYSA-N
CL
Query on CL

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C [auth A]
D [auth A]
E [auth A]
I [auth B]
J [auth B]
C [auth A],
D [auth A],
E [auth A],
I [auth B],
J [auth B],
K [auth B]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.95 Å
  • R-Value Free: 0.192 
  • R-Value Work: 0.162 
  • R-Value Observed: 0.163 
  • Space Group: P 41 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 110.939α = 90
b = 110.939β = 90
c = 118.013γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
CCP4data scaling
PHASERphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Revision History  (Full details and data files)

  • Version 1.0: 2004-12-28
    Type: Initial release
  • Version 1.1: 2008-04-30
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Advisory, Version format compliance
  • Version 1.3: 2013-07-03
    Changes: Non-polymer description
  • Version 1.4: 2018-01-31
    Changes: Database references, Structure summary
  • Version 1.5: 2024-02-14
    Changes: Data collection, Database references, Derived calculations
  • Version 1.6: 2024-04-03
    Changes: Refinement description