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Enzyme   3.1.3.16
Classification hydrolase/metal binding protein    | release date: Tue, Feb 11, 2014
Title crystal structure of a human calcineurin mutant
Authors J.W.WU, J.WANG, S.J.LI, Z.X.WANG
Method X-RAY DIFFRACTION (resolution: 2.75Å)
PDBe Citation   
Small molecules:    search ZN ZN binding statistics ZN   search FE FE binding statistics FE   search CA CA binding statistics CA
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
MGSSHHHHHHSSGLVPRGSHMAAPEPARAAPPPPPPPPPPPGADRVVKAVPFPPTHRLTSEEVFDLDGIPRVDVLKNHLV
KEGRVDEEIALRIINEGAAILRREKTMIEVEAPITVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVL
YLWVLKILYPSTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYEACMEAFDSLPLAALLNQQFLCVHGGLSPEIHTLDD
IRRLDRFKEPPAFGPMCDLLWSDPSEDFGNEKSQEHFSHNTVRGCSYFYNYPAVCEFLQNNNLLSIIRAHEAQDAGYRMY
RKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNVLSI
CSDDELMTEGEDQFDGSAAARKEIIRNKIRAIGKMARYLSVLREESESVLTLKGLTPTGMLPSGVLAGGRQTLQSATVEA
IEAEKAIRGFSPPHRICSFEEAKGLDRINERMPPRKDAVQQDGFNSLNTAHATENHGTGNHTAQ
Chain B sequence:
MGNEASYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLVQRVIDIFDTDGNGEVDFKEFIEGVS
QFSVKGDKEQKLRFAFRIYDMDKDGYISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGL
DIHKKMVVDV
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : SERINE/THREONINE-PROTEIN PHOSPHATASE 2B CATALYTICBETA ISOFORM;
member of: GENE3D:searchG3DSA_3.60.21.10PANTHER:searchPTHR11668/searchPTHR11668_SF186PFAM:searchPF00149PRINTS:searchSTPHPHTASEPROSITE PATTERNS:searchPS00125, SMART:searchSM00156SUPERFAMILY:searchSSF101447/searchSSF56300UniProt:searchP16298
JMol viewer RasMol script viewer  FE 602A  ..       ..                                                                               *                                                                                                                                                                                                                                                                                             ..FE ..       ..                  
JMol viewer RasMol script viewer  ZN 601A  ..       ..                                                                               |                         *                                                                                                                                                                  *                                                                                                ..ZN ..       ..                  
sec str:  .......hh..hhh..............hhhhhh......hhhhhhhhhhh....hhhhhhhhhhhhhhhhhh...eeee...eeee.....hhhhhhhhhhhhh......eee.........hhhhhhhhhhhhhhhh...eee......hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh..eeee...eeee.........hhhhhhh..........hhhhhhhhhee............eee.......eeehhhhhhhhhhhh...eeee........eee...........eeee....hhhhh....eeeeeee..eeeeeee........hhhhhhhhhhhhhhhhhhhhhhhhhhhh.......... ............hhhhhhhhhhhhh....
sequence :  ..PPPPPPP..GADRVVKAVPFPPTHRLTSEEVFDLDGIPRVDVLKNHLVKEGRVDEEIALRIINEGAAILRREKTMIEVEAPITVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWVLKILYPSTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYEACMEAFDSLPLAALLNQQFLCVHGGLSPEIHTLDDIRRLDRFKEPPAFGPMCDLLWSDPSEDFGNEKSQEHFSHNTVRGCSYFYNYPAVCEFLQNNNLLSIIRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNVLSICSDDEL... ..ARYLSVL..SFEEAKGLDRINERMPPR
seq num:  ..15     ..22        32        42        52        62        72        82        92        102       112       122       132       142       152       162       172       182       192       202       212       222       232       242       252       262       272       282       292       302       312       322       332       342       352       362       372       382  ... ..416    ..478       488     
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..       ..|  | |  |    | | | || |  | |        || |||  |  ||          |  | |  |          | ||  ||      | |||||     || |                    |  | || |  |||  |   | |     | | | |      |  |                 | ||||| ||| | | |         ||  |  | ||||  |||   | | | |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   |  |||   |      |  ||| | ..PS00001..       ..|  |      |  |    
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..       ..|  | |  |    ^** | || |  | |        || |||  |  ||          |  | |  |          | ||  ||      | |||||     || |                    |  | || |  |||  |   ^**     | ^** |      |  |                 | ||||| ||| | | |         ||  |  | ||||  |||   | ^** |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   |  |||   |      |  ||| | ..PS00005..       ..|  |      |  |    
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..       ..|  | |  |        ^*** |  | |        || |||  |  ||          |  | ^***          | ||  ||      | |||||     || |                    |  | || |  |||  |           |     |      |  |                 | |||^***|| | | |         ||  |  | ||||  |||   |   | |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   |  |||   |      |  |^*** ..PS00006..       ..^***      |  |    
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..       ..|  | |  |          |  |  | |        || |||  |  ||          |  |               | ||  ||      | |||||     || |                    |  | || |  |||  |           ******^      |  |                 | ||| |  || | | |         ||  |  | ||||  |||   |   | |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   |  |||   |      |  | | | ..PS00007..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..       ..|  | |  |          |  |  | |        || |||  |  ||          |  |               | ||  ||      ^*****|     || |                    |  | || ^*****  |                        |  |                 | ||| |  || | | |         ||  |  | ||^*****|   |   | |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   |  |||   |      |  | | | ..PS00008..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  SER_THR_PHOSPHATASE ..       ..|  | |  |          |  |  | |        || |||  |  ||          |  |               | ||  ||        ||| |     || |                    |  | |******|   |                        |  |                 | ||| |  || | | |         ||  |  | || |  | |   |   | |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   |  |||   |      |  | | | ..PS00125..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..       ..|  | |  |          |  |  | |        || |||  *****          |  |               | |*****        ||| |     || |                    |  | ||     |   |                        |  |                 | ||| ***** | | |         ||  |  | || |  | |   |   | |               | |  |  | | | |||        | |          |  | | |       |  |              |  |  |   *****|   |      |  | | | ..alphabetamotif..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  betaturn ..       ..|  | |  |          |  |  | |        |****|  ****           ****               | |****         ||| |     || |                    |  | ||     |   |                        |  |                 ****| ******* | |         ||  |  | ****  | |   |   | |               | |  |  | | ****|        | |          **** | |       ****              ****  |   **** |   |      |  | | | ..betaturn..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  gammaturn ..       ..|  | |  |          |  |  | |        |  | |                 |  |               | |             ||| |     || |                    |  | ||     |   |                        |  |                 | |||    |  | ***         ||  |  |  |    | |   |   | |               | |  |  ***   | |        | |             | | |                               |   |    |   |      |  | | | ..gammaturn..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  nest ..       ..|  | |  |          |  |  ***        |  ***                 |  |               ***             ||| |     |***                    |  | ||     |   |                        |  |                 | |||    |  |             ||  |  |  |    | |   |   ***               ***  |        ***        ***             *****                               |   |    |   |      |  | *** ..nest..       ..          |  |    
search RasMol script viewer Motif-ligand binding stats  niche ..       ..*********          ****             |    |                 ****                               |****     ||                      **** ||     |   |                        ****                 ****|    ****             |****  ****    ***   |                          |                   | |                                                 |   |    |   |      ****     ..niche..       ..          ****    
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..       ..                                    ******                                                    | |       ||                           ||     |   |                                             | | |                     |   |          | |   |                          |                   | |                                                 |   |    |   |               ..schellmannloop..       ..                  
search RasMol script viewer Motif-ligand binding stats  stmotif ..       ..                                                                                              | |       ||                           ||     |   |                                             *****                     |   |          | |   |                          |                   | |                                                 |   |    |   |               ..stmotif..       ..                  
search RasMol script viewer Motif-ligand binding stats  ststaple ..       ..                                                                                              | |       ||                           ||     *****                                             | |                       *****          | |   |                          |                   | |                                                 *****    *****               ..ststaple..       ..                  
search RasMol script viewer Motif-ligand binding stats  stturn ..       ..                                                                                              ***       ||                           ||                                                       ***                                      ***   |                          |                   ***                                                                              ..stturn..       ..                  
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..       ..                                                                                                        **                           **                                                                                                      *                          *                                                                                                    ..REP00000..       ..                  

chain B : CALCINEURIN SUBUNIT B TYPE 1
member of: GENE3D:searchG3DSA_1.10.238.10PANTHER:searchPTHR23056/searchPTHR23056_SF23PFAM:searchPF00036/searchPF13499PRINTS:searchPARVALBUMINPROSITE PATTERNS:searchPS00018, PROSITE PROFILES:searchPS50222, SMART:searchSM00054SUPERFAMILY:searchSSF47473UniProt:searchP63098
JMol viewer RasMol script viewer  CA 204B  ..                                                                                                                                          * * *    *                  
JMol viewer RasMol script viewer  CA 203B  ..                                                                                               * * *      *                               | | |    |                  
JMol viewer RasMol script viewer  CA 202B  ..                                                          * * * *    *                         | | |      |                               | | |    |                  
JMol viewer RasMol script viewer  CA 201B  ..                          * * * *    *                    | | | |    |                         | | |      |                               | | |    |                  
sec str:  .............hhhhhhhhhhhhhhhh.......hhhhhhhhhhhh...hhhhhhhhhh.......hhhhhhhhhhh.....hhhhhhhhhhhhhh.......hhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhh.......hhhhhhhhhhhhhhhhh.....
sequence :  ..ASYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLVQRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGYISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKKMVVDV
seq num:  ..4         14        24        34        44        54        64        74        84        94        104       114       124       134       144       154       164   
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..  |     | ||   |  |  |    | ||||| |  || || ||  | |        | ||||| | |||   || |^**|             | ||||| |  ||   |  ||                    | ||||| |  ||      |||| ||    
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..  |     ^***   |  |  |    | ||||| ^***| ^***|  | |        | ||||| | |||   || || ||             | ||||| ^***|   |  ||                    | ||||| ^***|      |||| ||    
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..***     | ||   |  |  |    | ||||| |  ||  |  |  | |        | ||||| | |||   || || ||             | ||||| |  ||   |  ||                    | ||||| |  ||      |||| ||    
search RasMol script viewer Motif-ligand binding stats  AMIDATION ..        | ||   |  ^***    | ||||| |  ||  |  |  | |        | ||||| | |||   || || ||             | ||||| |  ||   |  ||                    | ||||| |  ||      |||| ||    
search RasMol script viewer Motif-ligand binding stats  EF_HAND_1 ..        | ||   |          ^*^*^*^*^**^*  |  |  | |        ^*^*^*^*^**^*   || || ||             ^*^*^*^*^**^*   |  ||                    ^*^*^*^*^**^*      |||| ||    
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..        | ||   |            ||||| |   |  |  |  | |          ||||| | |     || || ||               ||||| |   |   *****                      ||||| |   |      ||*****    
search RasMol script viewer Motif-ligand binding stats  asxmotif ..        | |*****            ||||| |   |  |  |  | |          ||||| | |     || || ||               ||||| |   |   |  |                       ||||| |   |      |||| |     
search RasMol script viewer Motif-ligand binding stats  asxturn ..        | |                 ||||| |   |  |  |  ***          ||||| ***     || || ||               ||||| |   |   |  |                       ||||| |   |      |||| |     
search RasMol script viewer Motif-ligand binding stats  betaturn ..        | |                 ||||| |   |  |  |  |            |||||         ***** ||               ||||| |   |   ****                       ||||| |   |      ||****     
search RasMol script viewer Motif-ligand binding stats  nest ..        | |                 ***** |   |  |  |  |            *****          |  | ||               ***** |   |                              ***** |   |      ****       
search RasMol script viewer Motif-ligand binding stats  niche ..        ***                       |   ****  ****                           *******                     |   |                                    |   |                 
search RasMol script viewer Motif-ligand binding stats  stmotif ..        | |                       *****                                       | |                      *****                                    *****                 
search RasMol script viewer Motif-ligand binding stats  stturn ..        ***                                                                   ***                                                                                     

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