• DMP323 is a potent cyclic urea-based inhibitor.
• Backbone structures are obtained using ProteinViewer, where N-terminal is colored red and C-terminal blue.
• Superposition of molecules and their Z-scores and RMSDs are computed by the DaliLite server. (Two chains were concatenated upon superposition.)
  
• Click the images to view larger image.
• See the bottom for brief explanation of the D² codes. 

	Superposition of the current dimer and the dimer of Model 26		Superposition of chains	D2 code sequences
M o d e l	(Front view) Cur.: yellow Model 26: blue	(Top view) Cur.: yellow Model 26: blue	(Front view) Chain A: black Chain B: white	Z-score and RMSD of the dimer superposition with Model 26 Ligand name Mutations from the Consensus B amino acid sequence1)  Difference with Model 26 (chain A) Difference with Model 26 (chain B) D2 code of chain A (left in the front view) D2 code of chain B (right in the front view)

The base D² code sequences for the dimer comparisons (The structure of Model 26)

M 2 6

Z-Score -  RMSD 0.0A (identical) Ligand DMP323 (cyclic urea-based inhibitor, not shown in the figures)                1         2         3         4         5         6         7         8         9      123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789 Muta   V                                 S                                                         A DifA DifB Ch A --00RRG0R00R000RRG00000R0QBGR000000000R00000000000R00000000000R000RR0000000000R0R000R0QAAAAABR000-- Ch B --01RR00R00R000RRG00000R0QBGR000000000R00000000000R00000000000R000RR0000000000R0R00000QAAAAABR000--

NMR structure models (27)

M 0 1				Z-Score 33.9  RMSD 1.0A DifA    +                                  +++                +  +                     + + DifB    ++                                 +                  +    +                     + Ch A --0RRRG0R00R000RRG00000R0QBGR00000000001G000000000R000000R00R0R000RR0000000000R0R0R000QAAAAABR000-- Ch B --001R00R00R000RRG00000R0QBGR000000000000000000000R000000R00000000RR0000000000R0R000R0QAAAAABR000--
M 0 2				Z-Score 34.0  RMSD 1.2A DifA                                       ++++                    +                     +  ++ DifB    +  +                               +                  +  +       +            ++ +  ++ Ch A --00RRG0R00R000RRG00000R0QBGR0000000000RRG00000000R000000000000000RR0000000000R0R00000QB1AAABR000-- Ch B --0RRRG0R00R000RRG00000R0QBGR000000000000000000000R000000R00R0R000RRG000000000R0RGR0R0QB1AAABR000--
M 0 3				Z-Score 33.1  RMSD 1.2A DifA    +  +    +    +                     +                  +    +     + DifB    +  +    +                           +++               +                                      + Ch A --0RRR00R000000R0G00000R0QBGR000000000000000000000R000000R00000000RRG000000000R0R000R0QAAAAABR000-- Ch B --0RRRG0R000000RRG00000R0QBGR000000000R1RG00000000R000000R0000R000RR0000000000R0R00000QAAAAABR00R--
M 0 4				Z-Score 34.1  RMSD 0.9A DifA            +          +               +           +         + +     +               +  ++ DifB    +  +                               +++                   +       +             + + Ch A --00RRG0R000000RRG0000RR0QBGR0000000000000000000000000000000R00000RRG000000000R0R00000QB1AAABR000-- Ch B --00RRG0R00R000RRG00000R0QBGR00000000001G000000000R000000000R0R000RRG000000000R0R0R000QAAAAABR000--
M 0 5				Z-Score 33.3  RMSD 1.1A DifA    +                   +               + +                          +             + +   + DifB    +            +                      +++                          +             + Ch A --0RRRG0R00R000RRG0000000QBGR000000000RR0G00000000R00000000000R000RRG000000000R0R0R000QAHAAABR000-- Ch B --0RRR00R00R000R0G00000R0QBGR000000000R1RG00000000R00000000000R000RRG000000000R0R0R000QAAAAABR000--
M 0 6				Z-Score 33.7  RMSD 0.9A DifA    +  +                               ++++               +  + +     +               + DifB    ++                                                     + +                       +  ++ Ch A --0RRR00R00R000RRG00000R0QBGR0000000000RGG00000000R000000R00R00000RRG000000000R0R00000QAAAAABR000-- Ch B --00QR00R00R000RRG00000R0QBGR000000000R00000000000R0000000R0R0R000RR0000000000R0R000R0QB1AAABR000--
M 0 7				Z-Score 34.9  RMSD 0.6A DifA    +                                  +                              +              + DifB    +  +    +                           ++                   +       +            ++ Ch A --0RRRG0R00R000RRG00000R0QBGR000000000000000000000R00000000000R000RR0R00000000R0R000O0QAAAAABR000-- Ch B --00RRG0R000000RRG00000R0QBGR000000000R1R000000000R000000000R0R000RRG000000000R0RGR000QAAAAABR000--
M 0 8				Z-Score 33.8  RMSD 1.0A DifA            +          +               +                                          ++ +  ++ DifB    +  +         +      +              ++++                  + + Ch A --00RRG0R000000RRG0000OR0QBGR000000000000000000000R00000000000R000RR0000000000R0RGR000QB1AAABR000-- Ch B --00RRG0R00R000R0G0000000QBGR0000000000RRG00000000R000000000R00000RR0000000000R0R00000QAAAAABR000--
M 0 9				Z-Score 34.5  RMSD 0.8A DifA    ++ +                               ++++               +          +               +  + DifB    +  + +                             +++                           +               + Ch A --0R0R00R00R000RRG00000R0QBGR0000000000RRG00000000R000000R0000R000RRG000000000R0R00000QBAAAABR000-- Ch B --00RRG0000R000RRG00000R0QBGR00000000001R000000000R00000000000R000RRG000000000R0R000R0QAAAAABR000--
M 1 0				Z-Score 33.8  RMSD 0.9A DifA     + +    +          +                +++                                        +    ++ DifB    +  +               +               +                       +    ++             +    ++ Ch A --000R00R000000RRG0000RR0QBGR000000000R1RG00000000R00000000000R000RR0000000000R0R0R0R0QB1AAABR000-- Ch B --0RRRG0R00R000RRG0000RR0QBGR000000000100000000000R000000000000000R0G000000000R0R0R000QB1AAABR000--
M 1 1				Z-Score 33.2  RMSD 1.3A DifA    +  +    +                           ++                +  +      ++             + + DifB    +  +                                +++                                        + Ch A --0RRR00R000000RRG00000R0QBGR000000000R1R000000000R000000R00R0R000R0G000000000R0R03000QAAAAABR000-- Ch B --0RRRG0R00R000RRG00000R0QBGR000000000R1RG00000000R00000000000R000RR0000000000R0R0R000QAAAAABR000--
M 1 2				Z-Score 34.7  RMSD 0.9A DifA    +                   +              ++ +               +          +      +      + + DifB    +  +                               ++++ Ch A --0RRRG0R00R000RRG0000030QBGR000000000010G00000000R000000R0000R000RRG000000300R0R0R000QAAAAABR000-- Ch B --00RRG0R00R000RRG00000R0QBGR0000000000RGG00000000R00000000000R000RR0000000000R0R00000QAAAAABR000--
M 1 3				Z-Score 33.2  RMSD 1.4A DifA            +                          +                                           + DifB    +  +    +                           ++                +  +       +            ++ Ch A --00RRG0R000000RRG00000R0QBGR000000000000000000000R00000000000R000RR0000000000R0R0R0R0QAAAAABR000-- Ch B --0RRRG0R000000RRG00000R0QBGR000000000R1R000000000R000000R0030R000RRG000000000R0RGR000QAAAAABR000--
M 1 4				Z-Score 33.8  RMSD 0.9A DifA                        +              ++++               ++ + +    ++               + DifB    +            +     +             + ++++                  + Ch A --00RRG0R00R000RRG0000000QBGR00000000001RG00000000R000000RR0R00000R0G000000000R0R00000QAAAAABR000-- Ch B --0RRR00R00R000R0G0000OR0QBGR0000000R00RRG00000000R000000000R0R000RR0000000000R0R00000QAAAAABR000--
M 1 5				Z-Score 33.8  RMSD 0.9A DifA                                       ++++               ++ +       +             + + DifB    +  +    +          +                +++               +  + +                  ++ +  ++ Ch A --00RRG0R00R000RRG00000R0QBGR0000000000RBG00000000R000000RR0R0R000RRG000000000R0R0R000QAAAAABR000-- Ch B --00RRG0R000000RRG0000RR0QBGR000000000R1RG00000000R000000R00R00000RR0000000000R0RGR0R0QB1AAABR000--
M 1 6				Z-Score 33.6  RMSD 0.9A DifA                                       ++++                  +       +               +  ++ DifB    +  +    +                          +                            ++                  ++ Ch A --00RRG0R00R000RRG00000R0QBGR0000000000RRG00000000R000000000R0R000RRG000000000R0R000O0QB1AAABR000-- Ch B --0RRRG0R000000RRG00000R0QBGR000000000100000000000R00000000000R000R0G000000000R0R00000QB1AAABR000--
M 1 7				Z-Score 31.8  RMSD 2.0A DifA            +          +               +++                         ++              + + DifB    +  +                                                  +        ++              + Ch A --00RRG0R000000RRG0000RR0QBGR00000000001R000000000R00000000000R000QB0000000000R0R0R000QAAAAABR000-- Ch B --0RRRG0R00R000RRG00000R0QBGR000000000R00000000000R000000R0000R000RR0000000000R0R0R000QAAAAABR000--
M 1 8				Z-Score 33.7  RMSD 0.8A DifA     +++                                                  +         ++                  + DifB    +  +    +                           +                 +  +      ++                  ++ Ch A --00QB00R00R000RRG00000R0QBGR000000000R00000000000R000000R0000R000R0G000000000R0R000R0QBAAAABR000-- Ch B --00RRG0R000000RRG00000R0QBGR000000000RR0000000000R000000R00R0R000R0G000000000R0R00000QB1AAABR000--
M 1 9				Z-Score 35.1  RMSD 0.7A DifA                                       ++++                          +               + DifB    +  +         +                      +                    +       +             + Ch A --00RRG0R00R000RRG00000R0QBGR0000000000RGG00000000R00000000000R000RRG000000000R0R00000QAAAAABR000-- Ch B --00RRG0R00R000R0G00000R0QBGR000000000R10000000000R00000000030R000RRG000000000R0R0R000QAAAAABR000--
M 2 0				Z-Score 33.9  RMSD 0.9A DifA                                       +                       +                  +  +  ++ DifB    ++           +                      +++               +  +      ++ Ch A --00RRG0R00R000RRG00000R0QBGR000000000000000000000R000000000000000RR0000000000R0RG0000QB1AAABR000-- Ch B --001R00R00R000R0G00000R0QBGR000000000R1RG00000000R000000R00R0R000R0G000000000R0R00000QAAAAABR000--
M 2 1				Z-Score 33.1  RMSD 1.0A DifA     +      +    +                     +                  +  +       ++            +    ++ DifB    +  +                               +++                +  + +     +               + Ch A --001RG0R000000R0G00000R0QBGR000000000000000000000R000000R00R0R000RRGR00000000R0R0R0R0QB1AAABR000-- Ch B --0RRRG0R00R000RRG00000R0QBGR00000000001R000000000R000000R00R00000RRG000000000R0R000R0QAAAAABR000--
M 2 2				Z-Score 33.5  RMSD 1.0A DifA    +                                  +++                   +       + DifB    +  +    +          +               ++++                         ++                           + Ch A --0RRRG0R00R000RRG00000R0QBGR00000000001R000000000R000000000R0R000RRG000000000R0R000R0QAAAAABR000-- Ch B --00RRG0R000000RRG0000RR0QBGR00000000001RG00000000R00000000000R000R0G000000000R0RGR000QAAAAABR00R--
M 2 3				Z-Score 34.6  RMSD 0.8A DifA                                       +                              +              + DifB    +  +    +    +     +             + +                  +  +       + Ch A --00RRG0R00R000RRG00000R0QBGR000000000000000000000R00000000000R000RR0R00000000R0R00000QAAAAABR000-- Ch B --0RRRG0R000000R0G0000RR0QBGR000000030000000000000R000000R00R0R000RRG000000000R0R00000QAAAAABR000--
M 2 4				Z-Score 34.7  RMSD 0.6A DifA    +  +    +                           +++                  + +     + DifB    +  +             + +               ++++                    +      + Ch A --0RRR00R000000RRG00000R0QBGR000000000R1RG00000000R000000000R00000RRG000000000R0R000R0QAAAAABR000-- Ch B --00RRG0R00R000RRG00R0OR0QBGR00000000001RG00000000R000000000000000RR0300000000R0R00000QAAAAABR000--
M 2 5				Z-Score 34.0  RMSD 0.8A DifA                         +             ++++               +  + +     +            ++ + DifB    +  +    +    +                     ++                                               ++ Ch A --00RRG0R00R000RRG00000RRQBGR00000000001RG00000000R000000R00O00000RRG000000000R0RGR000QAAAAABR000-- Ch B --00RRG0R000000R0G00000R0QBGR0000000000G0000000000R00000000000R000RR0000000000R0R00000QB1AAABR000--
M 2 7				Z-Score 33.2  RMSD 0.9A DifA    +  +                             + +                  ++ + +    ++               + DifB    ++ +    +    +                       ++               +  +                       +  + Ch A --0RRR00R00R000RRG00000R0QBGR0000000R0000000000000R000000RR0O00000R0G000000000R0R00000QAAAAABR000-- Ch B --001RG0R003000R0G00000R0QBGR000000000R0RG00000000R000000R00R0R000RR0000000000R0R000R0QBAAAABR000--
M 2 8				Z-Score 33.5  RMSD 1.3A DifA            +                          ++++        +         +       +             +    ++ DifB    +  +                             + +                     +      ++                  ++ Ch A --00RRG0R000000RRG00000R0QBGR00000000001RG000000000000000000R0R000RRG000000000R0R030R0QB1AAABR000-- Ch B --00RRG0R00R000RRG00000R0QBGR0000000R0000000000000R000000000R0R000R0G000000000R0R00000QB2AAABR000--

[The D² codes]

• 0 = DDDDD    (Extended strand, small blue spheres)
• 1 = DDDDU
• 2 = DDDUD
• 3 = DDDUU
• 8 = DUDDD
• 9 = DUDDU
• A = DUDUD    (Helix, large red spheres)
• B = DUDUU    (C-cap, large orange spheres)
• G = UDDDD    (Large green spheres)
• H = UDDDU
• I = UDDUD
• J = UDDUU
• O = UUDDD
• P = UUDDU
• Q = UUDUD    (N-cap, large orange spheres)
• R = UUDUU    (Turn, large yellow spheres)

[The DSSP code]

• H = alpha helix
• B = residue in isolated beta-bridge
• E = extended strand, participates in beta ladder
• G = 3-helix (3/10 helix)
• I = 5 helix (pi helix)
• T = hydrogen bonded turn
• S = bend
• L = no assigned structure