COMPND LI8 N-(3-((5-BROMO-2-((3-((PYRROLIDIN-1-YLCARBONYL) AMINO)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)PROPYL)-2,2- DIMETHYLMALONAMIDE REMARK LI8 Part of HIC-Up: http://xray.bmc.uu.se/hicup REMARK LI8 Extracted from PDB file pdb1z5m.ent REMARK LI8 Formula C23 H31 BR N8 O3 REMARK LI8 Nr of non-hydrogen atoms 35 REMARK LI8 Eigen-values covariance X/Y/Z 450.8 312.4 22.8 REMARK LI8 Residue type LI8 REMARK LI8 Residue name 4870 REMARK LI8 Original residue name (for O) $501 REMARK LI8 RESOLUTION. 2.17 ANGSTROMS. REMARK LI8 occurs in 0 other PDB entries REMARK LI8 HETATM 1 C1 LI8 4870 -0.901 4.492 0.112 1.00 20.00 HETATM 2 C2 LI8 4870 -0.591 3.103 -0.076 1.00 20.00 HETATM 3 N3 LI8 4870 0.715 2.749 -0.070 1.00 20.00 HETATM 4 C4 LI8 4870 1.723 3.633 0.112 1.00 20.00 HETATM 5 N5 LI8 4870 1.418 4.928 0.306 1.00 20.00 HETATM 6 C6 LI8 4870 0.159 5.376 0.309 1.00 20.00 HETATM 7 BR7 LI8 4870 -2.627 5.206 0.079 1.00 20.00 HETATM 8 N8 LI8 4870 3.018 3.306 0.122 1.00 20.00 HETATM 9 C10 LI8 4870 3.603 2.130 -0.140 1.00 20.00 HETATM 10 C11 LI8 4870 2.972 0.847 -0.043 1.00 20.00 HETATM 11 C12 LI8 4870 3.689 -0.334 -0.349 1.00 20.00 HETATM 12 C13 LI8 4870 5.055 -0.216 -0.750 1.00 20.00 HETATM 13 C14 LI8 4870 5.687 1.040 -0.848 1.00 20.00 HETATM 14 C15 LI8 4870 4.953 2.204 -0.547 1.00 20.00 HETATM 15 N16 LI8 4870 3.035 -1.517 -0.273 1.00 20.00 HETATM 16 C18 LI8 4870 3.331 -2.598 0.446 1.00 20.00 HETATM 17 O19 LI8 4870 4.311 -2.588 1.219 1.00 20.00 HETATM 18 N20 LI8 4870 2.605 -3.731 0.328 1.00 20.00 HETATM 19 C21 LI8 4870 1.485 -3.899 -0.530 1.00 20.00 HETATM 20 C22 LI8 4870 1.558 -5.382 -0.976 1.00 20.00 HETATM 21 C23 LI8 4870 2.673 -6.010 -0.088 1.00 20.00 HETATM 22 C24 LI8 4870 2.920 -4.949 0.995 1.00 20.00 HETATM 23 N25 LI8 4870 -1.554 2.162 -0.272 1.00 20.00 HETATM 24 C27 LI8 4870 -1.320 0.789 -0.597 1.00 20.00 HETATM 25 C28 LI8 4870 -1.021 -0.065 0.653 1.00 20.00 HETATM 26 N29 LI8 4870 -3.432 -0.083 1.271 1.00 20.00 HETATM 27 C31 LI8 4870 -3.960 -1.204 0.700 1.00 20.00 HETATM 28 O32 LI8 4870 -3.202 -2.225 0.577 1.00 20.00 HETATM 29 C33 LI8 4870 -2.087 0.050 1.766 1.00 20.00 HETATM 30 C34 LI8 4870 -5.416 -1.303 0.213 1.00 20.00 HETATM 31 C35 LI8 4870 -5.919 -2.774 0.407 1.00 20.00 HETATM 32 C36 LI8 4870 -6.394 -0.378 1.032 1.00 20.00 HETATM 33 C37 LI8 4870 -5.490 -0.993 -1.240 1.00 20.00 HETATM 34 O38 LI8 4870 -6.280 -0.151 -1.729 1.00 20.00 HETATM 35 N39 LI8 4870 -4.713 -1.616 -2.121 1.00 20.00 REMARK LI8 ENDHET