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legend  pdf

structure nameK. PNEUMONIAE TOPOISOMERASE IV (PARE-PARC) IN COMPLEX WITH DNA AND COMPOUND 34 (7-[(1S,5R)-1-AMINO-3-AZABICYCLO[3.1.0]HEXAN-3-YL]-4- (AMINOMETHYL)-1-CYCLOPROPYL-3,6-DIFLUORO-8-METHYLQUINOLIN-2(1H)-ONE)
(DNA TOPOISOMERASE 4 SUBUNIT B,DNA TOPOISOMERASE ATP-...)
referenceBellamacina et al. J.Med.Chem. 63 7773 2020
sourceKLEBSIELLA PNEUMONIAE 342
experimentX-ray (resolution=3.20, R-factor=0.275)
structural superfamilyType II DNA topoisomerase;
sequence familyDNA gyrase/topoisomerase IV, subunit A; DNA gyrase B subunit, carboxyl terminus;
multimeric complexes5eix_BJ 6waa_BD 6waa_FH 7lhz_AB
redundant complexes5eix_G 7lhz_D
links to other resourcesNAKB PDBSum PDIdb DNAproDB
protein sequence
interface signatureKKYSAIR

Estimated binding specificities ?

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# IC=4.963 IC/col=0.827 n_of_columns=6 specificity:   
A |  73   9  73   0  96  73
C |   9   7  14  96   0   9
G |   7   7   7   0   0   7
T |   7  73   2   0   0   7
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Dendrogram of similar interfaces ?

matrix format
  
  --KTKAYA--------SGAA------------------IC--RA------------------   L                                                        +6waa_D    
                                                                                                                          +-4 
  --KT------RC------AT------------------IC--RG------------------   L                                                    +-6 +2xkk_C    
                                                                                                                        ! ! 
  --KA--------------SA------------RG----IG----------------------                                                    +---7 +2xcr_U    
                                                                                                                    !   ! 
  RCKT--------------SA------------RG----IG----------------------   L                                             +-10   +-5npk_d    
                                                                                                                 !  !  
  --KA----DC--------------------------ECIGSG--------------------   L                                             !  !  +--4fm9_A    
                                                                                                  +-------------13  +--8 
  --KT--------------SA----------------EGIGSC--------------------                                  !              !     +--3l4j_A    
                                                                                                  !              !  
  ------YC----------SG------------RT----IG----------------------                                  !              !        +5iwi_C    
                                                                                                  !              +--------1 
  ------YT----------ST--------------RA--IG----------------------                                  !                       +5bs8_A    
                                                                                               +-16  
  --KT--YC----------SA------------RG----IC----------------------   L                           !  !                +-------4z4q_B    
                                                                                               !  !             +-12  
  --------------------------------------IA----------------------                               !  !      +-----14  +-------4z2c_B    
                                                                                               !  !      !      !  
  --KG--------------AG------------RT--ECIGAG--------------------                            +-17  +-----15      +---------3qx3_B    
                                                                                            !  !         !  
  ----------RC----STSA------------RG----IC----------------------                            !  !         !                +3k9f_B    
                                                                                            !  !         +----------------3 
  --------------------------------------IG----------------------                            !  !                          +6rku_A    
                                                                                         +-18  !  
  --KG----------------------------------------------------------                         !  !  +------------------------5iwi_D    
                                                                                         !  !  
  --KT----------------------------------------------------------                         !  !                         +3k9f_C    
                                                                                      +-19  !                      +--5 
  --KT----------------------------------------------------------                      !  !  +----------------------9  +5bs8_D    
                                                                                      !  !                         ! 
  --KT----------------------------------------------------------                      !  !                         +---4z2c_D    
                                                                                   +-20  !  
  --------------------NASTRGHTSTLT------------------------------   L               !  !  +----------------------------7cby_C    
                                                                                   !  !  
  ----------------------------------------------NT--ATAT--STRG--   L            +-21  !                             +1dh3_C    
                                                                                !  !  +-----------------------------2 
  ----------------------------------------------NCRTATAT--STRG--                !  !                                +1t2k_D    
                                                                             +-22  !  
  ----------------------------------------------NT--ATAT----RG--   L         !  !  +-----------------------------5t01_B    
                                                                          +-23  !  
  ------------PG------------------------------------------------          !  !  +-----------------------------6la8_S    
                                                                          !  !  
  --------------RCQG----------------SG--------------------------       +-24  +-----------------------------4qlc_U    
                                                                       !  !  
  --------------------------YG----------------------------------       !  !                      +------1sfu_A    
                                                                     -25  +---------------------11  
  --------------------------YG----------------------------------       !                         +------2heo_D    
                                                                       !  
  --------------------------------------------RG----NT--ATAT--RG   L   +-----------------------------5vpe_C    
                                                                     

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updated Tue Dec 19 15:42:03 2023