2EJ2

Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with N-(5'-Phosphopyridoxyl)-L-Glutamate

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.216 
  • R-Value Work: 0.190 
  • R-Value Observed: 0.190 

Starting Model: experimental
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This is version 1.2 of the entry. See complete history. 


Literature

Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with N-(5'-Phosphopyridoxyl)-L-Glutamate

Goto, M.

To be published.

Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Branched-chain amino acid aminotransferase
A, B, C, D, E
A, B, C, D, E, F
308Thermus thermophilus HB8Mutation(s): 0 
EC: 2.6.1.42
UniProt
Find proteins for Q5SM19 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
Explore Q5SM19 
Go to UniProtKB:  Q5SM19
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ5SM19
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
PPE
Query on PPE
Download Ideal Coordinates CCD File 
G [auth A]
I [auth B]
J [auth C]
K [auth D]
L [auth E]
G [auth A],
I [auth B],
J [auth C],
K [auth D],
L [auth E],
M [auth F]
4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM
C13 H20 N2 O9 P
JMRKOGDJNHPMHS-JTQLQIEISA-O
MPD
Query on MPD
Download Ideal Coordinates CCD File 
H [auth A],
N [auth F]		(4S)-2-METHYL-2,4-PENTANEDIOL
C6 H14 O2
SVTBMSDMJJWYQN-YFKPBYRVSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.216 
  • R-Value Work: 0.190 
  • R-Value Observed: 0.190 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 117.02α = 90
b = 144.216β = 90
c = 147.042γ = 90
Software Package:
Software NamePurpose
CNSrefinement
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
AMoREphasing

Structure Validation

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Ligand Structure Quality Assessment 


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Entry History 

Deposition Data

  • Released Date: 2008-03-18 
    • Deposition Author(s): Goto, M.

Revision History  (Full details and data files)

  • Version 1.0: 2008-03-18
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Source and taxonomy, Version format compliance
  • Version 1.2: 2023-10-25
    Changes: Data collection, Database references, Derived calculations, Refinement description