[Addition/Deletion/Substitution of Structural Elements (2)]


(3) Rossmann Fold-like Domains of ATP-Grasp Proteins and Zinc-carboxypeptidase: Carboxypeptidase A (2ctc), Dala-dala Ligase (2dln), Biotin Carboxylase (1bnc), Synapsin (1auv), and Glutathione Synthase (1gsa)

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2ctc (ResA58-307) 2dln (ResA1-306)
1bnc (ResA1-320)
1auv (ResA114-417)
1gsa (Res2-314)

  "Most ATP-grasp proteins are readily detected by sequence similarity in the ATP-binding site. In many members of this superfamily, a substrate-binding domain is present N-terminal of the ATP-binding domains. This N-terminal domain contains a Rossmann-like core and with all likelihood is homologous between ATP-grasp proteins. However, this domain displays pronounced structural diversity in the peripheral region." (Grishin, 2001)

2ctc  PAIWIDL    GI  H     SRE  WITQATGVWFA           K     KFTE               DY       G QD       PS
code  0000000    RQ  G 
   QAB  QAAAAAAAAAA           A     AAAA               BG       Q G0       QA
2dln DKIAVLLGGTS  A          E  REVSLNSGAAV           L     AGLRE              GGIDAYPVDPK EVD     VTQL
code 
B0000000000  Q          B  QAAAAAAAAAA           A     AAAAA              B00R00000QB 000     QABQ
1bnc  DKIV      IA   N  RGE I    ALRILRACKELGIKTVAVHSSADRDLKHVL  LADETVCIGPAPSVKS       YLN        IP
code  0000      O
R   G  001 A    AAAAAAAAAABR00000000QABQB0QAAA  GGR00003000GQAB0       QBG        QA
1auv  RVLLVIDE    P HTD         WAKY                                           FK GKK      I
code  00000000
   Q RGR         QAAA                                           B0 R00      0
1gsa  LGIVMDP     IA N IN  I KKDSSFAMLLEAQR                                    R           GYELHYMEMG
code  0000000
    QG G0  Q B00QAAAAAAAAAA                                    B           00000000QA

2ctc FTAIL   D        S M DI FLEI V  T  NP   DGFAFT  H  SQ N    R                   L W RKT  R S
code AAAAA   
B        0 0 00 000R 0  R  0Q   AAAAAA  B  00 0    Q                   B 0 000  R 0
2dln KS      M        G FQKV FI ALHGRG  GEDGTLQGMLEL MG LP YTGSGVMASALSM DKLRSKLLWQGAGL PVA    P
code AA      
B        0 0R00 00 RG000R  0RGRHAAAAAAA BR 00 00000QHAAAAAA GQAAAAAAAAABR0 000    0
1bnc AIISAAEIT      G AVA IHPGYG  F  LSENA   NFAEQVERSGFIFIGPK  A ETIRLMGDKVSAIAAMKKAGV PCV    P
code AAAAAAAA
B      R 030 00R000  0  RR80Q   AAAAAAAABRG00R000  Q AAAAAABGQAAAAAAAAABR0 000    0
1auv          HGE     I D IK VEQ  A     EF   S       DL NL VAH  A                   NGG FSVDEVLRNGV
code         
RRG     0 0 00 000  0     0Q   A       BG 00 000  Q                   BR0 00003RG01RR
1gsa         D  LYLINGE A RAHTRT  L     N               VKQN    Y                   E EWFSF  V G
code
        B  G000RR0 0 00O000  0     0               00R0    Q                   B 0O000  R 0

2ctc VTS       SSLCVGV D        ANR            NWDA      G FG  K  A GA S  SS P        CSETY
code 000       
BGRG000 R        QAA            JGRG      R 0R  0  1 RG 0  RG Q        BGQB0
2dln WVALTRAEFEK   GLS          DKQLAEISA       L   GL PV  I   VKP  S  REGS S             V
code 00000
QAAAAB   000          QAAAAAAAA       G   00 00  0   000  R  001R R             0
1bnc GS          D GPLGDD       MDKNRAIAKR         IGYPVI  I KRGM
code 00          
R 0000RG       QAAAAAAAAA         B00O00  0 PJ00
1auv KVV           RSL K  P                      D  FV LIRQHA  FS  ARN GD Y  RSLVIGLQYA
code 000           000 
R  0                      R  00 00RG0R  00  3RG 00 R  QAAAAAAAAB
1gsa EQDLPLA   DLD VIL M RKDPPFDTEFIYATYILERAEE    KGT LI          V  NK     PQSLR    DC  NEKLFTAWFSDLTP
code 00000
QA   BGR 000 R O000OR0QAAAAAAAAAAAAAA    B00 00          3  O0     QAAAA    BG  0R1AAAAAGQABG0

2ctc HGKYA   NS  E    VEVKSIV   DFVKDHGN         FK   AF LSI  HSYS Q L L  LYP Y      GY T         T         Q
code 
R0R00   RR  G    QAAAAAA   AAAAABRG         0R   00 000  0000 R 0 0  000 0      QB 0         R         G
2dln GM SKVVA     ENA LQDALRL   AFQ    H         DEE  VL IEK  WLS   GP E  FTV AI LG               E         E
code 
R0 00000     QAB QAAAAAA   AAA    G         0RG  00 000  000   G0 0  000 00 00               R         G
1bnc  R VV   R  G DAEL AQSISM   TRAE A  K       MV    YM EKY  LENP   R H  VEI QV LAD GQ GNAIYLAERDCSM  QR RHQKVVEEAPAPG
code  0 00 
 R  0 QABI AAAAAA   AAAA B  P       J0    00 000  0000   0 0  000 00 000 QB 0000000000RRB  00 RRG000000O00R
1auv GI PS   INS      LHSVYNFCDKPWVFAQ   VRLHKKL G  TEEFPLI N QTFY P NH KELSSTTYPVVVK  GHAH       S  GGKVK
code 
R0 00   3 O0     QAAAAAABGQAAAAAB   QAAAAAB 0  QB00300 R 0000 R 0R RG000R00O0000  3000       R  13000
1gsa  E TLVT R   N    KAQLKAF   WE   K           HSD  II LKPLDG   MG  GAS IFR VK E                G
code  0 0000
R   G    QAAAAAA   AA   B           0RG  00 000RG0   1R  R0R 000 00 0                R

2ctc S  I             P  D               KTELNQVAKSAVEA                LKS             LY G TS YKYGS       IIT T IYQAS
code 0  0            
Q  B               QAAAAAAAAAAAAA                AAA             G0 R 00 00000       QAB 0 00000
2dln I  LPSIRIQPSGTFYDYEAKYLSDETQYFCPAGLEASQEANLQALVLKA                WTT           L    G CKGWGRID           V MLDS
code 0  00000000
R0O0R0QAAB00GQBG0000ORR00QAAAAAAAAAAAAA                AAA           B    R 00R00000           0 000Q
1bnc I  T                                PELRRYIGERCAKA                CVD            I   G YR GAGTF           E FLFE
code 0  0            
                   QAAAAAAAAAAAAA                AAA            8   R 00 00000           0 0000
1auv VD N                                QHDFQDIASVVAL T             K                 TYA  TT EPFI  D         AKYDVRIQKI
code
0R 0                                QAAAAAAAAAAAA B             R                 G00  00 0000  R         0R00000000
1gsaDPN                                 LGVIAETL      TEHGTRYCMAQNYL PAIKDGDKRVLVVDG  EPVPYCL ARIPQGGETRGNLAAGG RGEPR
code 
0RH                                 QAAAAAAA      BRRRRG00000000 QAAAB0R000000RR  G00RG00 000000RGRGRGQABR0 00000

2ctc G  GS           IDWSYN         Q GI KY SF TF ELRDTGRY GFLLP                      ASQI  IPTAQ        ET     WLGVLTIMEHTL
code 
R  0P           AAAAAA         B RR PB 00 00 0000R1RR 0QB00                      QABQ  AAAAA        AA     AAAAAAAAAAAA
2dln                                D G     QF YLLEAN T     S  PGMT                   S H SLVPMAA        RQAGMSFSQLVVRILE   L
code                                
B R     00 003000 R     0  0000                   Q B 01AAAAA        AABR00QAAAAAAAAA   B
1bncN                                G    EFY FI EMN T    RI  Q                      V EH  PVTEMITGV  DLIK     EQLRIA      AG
code 
R                                R    G00 00 000 R    G0  0                      Q BQ  AAAAAGRR0  0QAA     AAAAAA      BR
1auv GQNYKAYRTLEQIASDRYKLWVDTCS     EIFG    GLDIC AVEA     L  HG   KDGRDHIIEVVG SSPLIGD HQ  DEDKQ        LI     VELVVNKA
code 
RRG00000O300000QAAAAAAAAAA     BGRR    00R00 0000     0  00   QBRG00000000 R80000Q BQ  AAAAA        AA     AAAAAAAA
1gsa    PLT         ESDWKIARQIGPTLKEK GLI   FV GL DIIGD   RL  TEINV   TSP      TC        I  REIEA E FPVSITG     MLMDAIEAR
code    000        
QAAAAAAAAAAAAAAAB RRR   00 00 0000R   G0  0000O   G00      1R        Q  AAAAA 8 0RG0QAA     AAAAAAAAA


*[2ctc-2dln] RATIO :  lcs/trimmed_seq_a = 0.724 (=  178/  246), lcs/trimmed_seq_b = 0.589 (=  178/  302)

*[2ctc-1bnc] RATIO :  lcs/trimmed_seq_a = 0.703 (=  173/  246), lcs/trimmed_seq_b = 0.571 (=  173/  303)

*[2ctc-1auv] RATIO :  lcs/trimmed_seq_a = 0.663 (=  163/  246), lcs/trimmed_seq_b = 0.591 (=  163/  276)

*[2ctc-1gsa] RATIO :  lcs/trimmed_seq_a = 0.699 (=  172/  246), lcs/trimmed_seq_b = 0.557 (=  172/  309)
Structural alignment by ComSubstruct
DSSP LLLEEEEEELLLLL       L.HHHHHHHHHHHHHHHHHLlllhh
2ctc NRPAIWIDLGIHSR       E.WITQATGVWFAKKFTEDYgqdps
         |   ||  |        |       |        |
2dln MTDKIAVLLGGTSA       ErEVSLNSGAAVLAGLREGG.....
DSSP LLLEEEEELLLLLL       LhHHHHHHHHHHHHHHHHLL.....
         | |
1bnc mlDKIVIANR....       . ...GEIALRILR...........
DSSP llLEEEELLL....       . ...HHHHHHHHH...........
                                 |    || |
1auv ..RVLLVIDE....       . ...PHTD..WAKYF........k
DSSP ..LEEEEELL....       . ...LLLL..HHHHH........l
         |                      |
1gsa ....IKLGI.VMDPianinikk DSSFAMLLEAQRRG.........
DSSP ....LEEEE.ELLLhhhlllll LHHHHHHHHHHHLL.........


DSSP hhhh  hhhlEEEEElLLLHhhhhhhhhllllllllllllllllllllllllllllllllllllllllllll
2ctc ftai  ldsmDIFLEiVTNPdgfafthsqnrlwrktrsvtssslcvgvdanrnwdagfgkagassspcsety
               |
2dln ....  ...iDAYPV.DPKE....................................................
DSSP ....  ...lEEEEE.LLLL....................................................
     
1bnc .ack  elgIKTVAV..HSSADRD..................................lkhvlladetvcig
DSSP .hhh  hllLEEEEE..EEHHHLL..................................lhhhhhlleeeeee
        | 
1auv GKKIhgeIDIKVEQA.........................................................
DSSP LLLLlllLLLEEEEE.........................................................
                  |
1gsa ....  .....YELH.YMEM....................................................
DSSP ....  .....LEEE.EELH....................................................


DSSP llllllllhhhH                         HHHh        HHHH           HlLEEEEEE.EEELlleeeelllllllllllhhhhhhhhhhhhhhhhhhhl
2ctchgkyansevevK                         SIVd        FVKD           HgNFKAFLS.IHSYsqlllypygyttqsipdktelnqvaksavealkslyg
                                                        |               |       |
2dln...........V                         DVT.        QLKS           M.GFQKVFIaLHGR.....................................
DSSP...........L                         LHH.        HLHH           H.LEEEEEElLLLL.....................................
                                           |                          |   |
1bncpapsvksylNIP                         AIIS        AAEI           TG.AVAIHP GYG......................................
DSSP lllhhhlllLHH                         HHHH        HHHH           HL.LLEEEL LLL......................................
                                                       |                    |
1auv.........efs                         DLNLvahanggfSVDXevlrngvkvvrSLKPDFVLI RQ.......................................
DSSP .........lhh                         HEEEeellllleEEEEeelllllleeeEELLLEEEE LL.......................................
     
1gsa ........GDLYlingearahtrtlnvkqnyeewfsfvgeQ        DLP.           ..laDLDVI LMR......................................
DSSP ........HHEEeelleeeeeeeeeeellllllleeeeeeE        EEE.           ..hhHLLEE EEL......................................


DSSP llleeeehhhhlll  lllL HHHHHHHLLLlEEEE.............................................................................
2ctc tsykygsiittiyq  asgG SIDWSYNQGIkYSFT.............................................................................
                                  |
2dln ............gg  edgT LQGMLELMGL.PYTGsgvmasalsmdklrskllwqgaglpvapwvaltraefekglsdkqlaeisalglpvivkpsregssvgmskvvaena
DSSP ............ll  llhH HHHHHHHHLL.LLLLllhhhhhhhhlhhhhhhhhhhllllllleeeeehhhhhlllllllhhhhhllllleeeeellllllllleeellhhh
                                  |
1bnc ...........fls  enaN FAEQVERSGF.IFIGpkaetirlmgdkvsaiaamkkagvpcvpgsdgplgddmdknraiakrigypviikrgmrvvrgdaelaqsismtrae
DSSP ...........lll  llhH HHHHHHHLLL.EELLllhhhhhhhhlhhhhhhhhhhhlllllllllllllllhhhhhhhhhhhllleeellllleellhhhhhhhhhhhhll
                                  ||  |
1auv .....haFSXARNG  DyRS LVIGLQYAGI.PSINslhsvynfcdkpwvfaqxvrlhkklgteefplinqtfypnhkexlssttypvvvkxghahsgxgkvkvdnqhdfqdi
DSSP .....llEELLLLE  ElHH HHHHHHHLLL.LEELlhhhhhhlllhhhhhhhhhhhhhhhlllllllllleeellhhhlllllllleeeeelllllllleeeellhhhhhhh
                                    |
1gsa .......kdpPFDTefIYATyILERAEE...KGTLI
DSSP .......lllLLLHhhHHHHhHHHHHHH...LLLEE


DSSP .........................................................................................................
2ctc .........................................................................................................
     
2dln lqdalrlafqhdeevliekwlsgpeftvailgeeilpsiriqpsgtfydyeakylsdetqyfcpagleasqeanlqalvlkawttlgckgwgridvmldsdgqfy
DSSP hhhhhhhhhlllleeeeeellllleeeeeeelleellleeeelllllllhhhhhllllleeellllllllhhhhhhhhhhhhhhhhlllleeeeeeeelllllee
     
1bnc akmvymekylenprhveiqvladgqgnaiylaerdcsmqrrhqkvveeapapgitpelrryigercakacvdigyrgagtfeflfengefyfiemnt
DSSP llllleeellllleeeeeeeeeelllleeeeeeeellllllllllllllllllllhhhhhhhhhhhhhhhhhhlleeeeeeeeeeelleeeeeeeel
     
1auv asvvaltktyattepfidakydvriqkigqnykayxrtleqiaxsdryklwvdtcseifggldicavealhgkdgrdhiievvg
DSSP hhhhhllllleeeeellleeeeeeeeeelleeeeeeelleeelllhhhhhhhhhhllhhhllleeeeeeeeelllleeeeeeel
     
1gsa
DSSP 


DSSP ee
2ctc fe
     
2dln ll
DSSP ee
     
1bnc RI
DSSP LL
     
1auv SS
DSSP LL
     
1gsa VNkpqslrdcneklftawfsdltpetlvtrnkaqlkafwekhsdiilkpldgmggasifrvkegdpnlgviaetltehgtrycmaqnylpaikdgdkrvlvvdgepvpyclari
DSSP ELlhhhhhhllllhhhhhhlllllleeeellhhhhhhhhhhhlleeeelllllllllleeellllllhhhhhhhhllllllleeeeellhhhhhleeeeeeelleelleeeeee


DSSP                                                        elllllllllllhhhhhh  hhhhhhhhhhhhhhhhhhl
2ctc                                                        lrdtgrygfllpasqiip  taqetwlgvltimehtlnn
     
2dln                                                        eantspgmtshslvpmaa  rqagmsfsqlvvrilelad
DSSP                                                        eeelllllllllhhhhhh  hhllllhhhhhhhhhhlll
     
1bnc                                                        QVE..........hPVTEmitgvDLIKEQLRIAAG..qp
DSSP                                                        LLL..........hHHHHhhhllLHHHHHHHHHLL..ll
                                                                                       | |
1auv                                                        XP...........lIGDH  QDEDKQLIVELVVNKXAQA
DSSP                                                        LL...........lLLLL  HHHHHHHHHHHHHHHHHLL
     
1gsa pqggetrgnlaaggrgeprpltesdwkiarqigptlkekglifvgldiigdrlteinvtsptcireieaefpvS  ITGMLMDAIEARLQ.....
DSSP lllllllllhhhlleeeeeellhhhhhhhhhhhhhhhhlllleeeeeeelleeeeeellllllhhhhhhhlllL  HHHHHHHHHHHHLL.....


*[2ctc-2dln] Z-score 2.9  AR 77  RMSD 3.0A  SI 16%
*[2ctc-1bnc] Z-score 1.8  AR 88  RMSD 3.8A  SI  9%
*[2ctc-1auv] Z-score 3.3  AR 94  RMSD 3.3A  SI 13%
*[2ctc-1gsa] Z-score 2.4  AR 84  RMSD 3.9A  SI  5%
Structural alignment by DaliLite



[The DSSP code]

[The 5-tile code]