1Q23

Crystal structure of Chloramphenicol acetyltransferase I complexed with Fusidic acid at 2.18 A resolution


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.18 Å
  • R-Value Free: 0.263 
  • R-Value Work: 0.192 
  • R-Value Observed: 0.195 

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Ligand Structure Quality Assessment 


This is version 1.3 of the entry. See complete history


Literature

Crystal structure of Chloramphenicol acetyltransferase I in the apoenzyme form and complexed with fusidic acid at 2.18 A resolution

Roidis, A.Kokkinidis, M.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Chloramphenicol acetyltransferase
A, B, C, D, E
A, B, C, D, E, F, G, H, I, J, K, L
219Escherichia coliMutation(s): 0 
Gene Names: CAT OR HCM1.206
EC: 2.3.1.28
UniProt
Find proteins for P62577 (Escherichia coli)
Explore P62577 
Go to UniProtKB:  P62577
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP62577
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
FUA
Query on FUA

Download Ideal Coordinates CCD File 
N [auth A]
O [auth B]
P [auth C]
Q [auth D]
R [auth E]
N [auth A],
O [auth B],
P [auth C],
Q [auth D],
R [auth E],
S [auth F],
T [auth G],
U [auth H],
V [auth I],
W [auth J],
X [auth K],
Y [auth L]
FUSIDIC ACID
C31 H48 O6
IECPWNUMDGFDKC-MZJAQBGESA-N
CA
Query on CA

Download Ideal Coordinates CCD File 
M [auth A]CALCIUM ION
Ca
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.18 Å
  • R-Value Free: 0.263 
  • R-Value Work: 0.192 
  • R-Value Observed: 0.195 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 115.354α = 90
b = 129.198β = 108.3
c = 118.073γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
CCP4data scaling
AMoREphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2004-08-03
    Type: Initial release
  • Version 1.1: 2008-04-29
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2023-08-16
    Changes: Data collection, Database references, Derived calculations, Refinement description