cobot-io-0.1.4.3: test/PDB/BondsRestoring/MET_3.pdb
HEADER TRANSFERASE 02-JUL-07 2JIV
REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30,
REMARK 888
REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN
TITLE 2 COMPEX WITH HKI-272
EXPDTA X-RAY DIFFRACTION
REMARK 2 RESOLUTION. 3.50 ANGSTROMS
REMARK 200 TEMPERATURE (KELVIN) : 100.00
REMARK 200 PH : 7.50
REMARK 350 BIOMOLECULE: 1
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000
REMARK 350 BIOMOLECULE: 2
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000
CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4
MODEL 1
ATOM 1 N MET A 702 17.252 -5.273 3.577 1.00 39.05 N1+
ATOM 2 CA MET A 702 16.468 -5.032 2.352 1.00 38.59 C
ATOM 3 C MET A 702 15.106 -5.730 2.433 1.00 38.18 C
ATOM 4 O MET A 702 14.991 -6.772 3.077 1.00 38.22 O
ATOM 5 CB MET A 702 17.243 -5.497 1.122 1.00 0.00 C
ATOM 6 CG MET A 702 17.375 -4.524 -0.061 1.00 0.00 C
ATOM 7 SD MET A 702 18.293 -5.064 -1.526 1.00 0.00 S
ATOM 8 CE MET A 702 18.119 -3.572 -2.537 1.00 0.00 C
ATOM 9 H1 MET A 702 18.145 -4.806 3.503 1.00 0.00 H
ATOM 10 H2 MET A 702 16.749 -4.914 4.375 1.00 0.00 H
ATOM 11 H3 MET A 702 17.401 -6.265 3.692 1.00 0.00 H
ATOM 12 HA MET A 702 16.297 -3.959 2.261 1.00 0.00 H
ATOM 13 HB2 MET A 702 18.268 -5.736 1.407 1.00 0.00 H
ATOM 14 HB3 MET A 702 16.767 -6.385 0.706 1.00 0.00 H
ATOM 15 HG2 MET A 702 16.383 -4.268 -0.433 1.00 0.00 H
ATOM 16 HG3 MET A 702 17.884 -3.618 0.268 1.00 0.00 H
ATOM 17 HE1 MET A 702 18.627 -3.717 -3.490 1.00 0.00 H
ATOM 18 HE2 MET A 702 17.062 -3.375 -2.715 1.00 0.00 H
ATOM 19 HE3 MET A 702 18.563 -2.725 -2.014 1.00 0.00 H
ATOM 20 N MET A 703 14.094 -5.132 1.779 1.00 0.00 N
ATOM 21 CA MET A 703 12.691 -5.557 1.687 1.00 0.00 C
ATOM 22 C MET A 703 11.838 -5.067 2.867 1.00 0.00 C
ATOM 23 O MET A 703 12.356 -4.855 3.964 1.00 0.00 O
ATOM 24 CB MET A 703 12.517 -7.039 1.368 1.00 0.00 C
ATOM 25 CG MET A 703 12.529 -7.467 -0.109 1.00 0.00 C
ATOM 26 SD MET A 703 12.324 -9.223 -0.502 1.00 0.00 S
ATOM 27 CE MET A 703 12.417 -9.124 -2.307 1.00 0.00 C
ATOM 28 H MET A 703 14.258 -4.278 1.267 1.00 0.00 H
ATOM 29 HA MET A 703 12.295 -5.033 0.816 1.00 0.00 H
ATOM 30 HB2 MET A 703 13.322 -7.608 1.833 1.00 0.00 H
ATOM 31 HB3 MET A 703 11.558 -7.384 1.754 1.00 0.00 H
ATOM 32 HG2 MET A 703 11.718 -6.967 -0.640 1.00 0.00 H
ATOM 33 HG3 MET A 703 13.482 -7.191 -0.561 1.00 0.00 H
ATOM 34 HE1 MET A 703 12.310 -10.122 -2.733 1.00 0.00 H
ATOM 35 HE2 MET A 703 11.617 -8.484 -2.678 1.00 0.00 H
ATOM 36 HE3 MET A 703 13.381 -8.707 -2.600 1.00 0.00 H
ATOM 37 N MET A 704 10.530 -4.890 2.610 1.00 0.00 N
ATOM 38 CA MET A 704 9.475 -4.435 3.521 1.00 0.00 C
ATOM 39 C MET A 704 9.394 -2.904 3.568 1.00 0.00 C
ATOM 40 O MET A 704 8.707 -2.346 2.684 1.00 0.00 O
ATOM 41 OXT MET A 704 10.031 -2.315 4.469 1.00 0.00 O1-
ATOM 42 CB MET A 704 9.479 -5.131 4.879 1.00 0.00 C
ATOM 43 CG MET A 704 8.194 -5.846 5.329 1.00 0.00 C
ATOM 44 SD MET A 704 8.186 -6.677 6.939 1.00 0.00 S
ATOM 45 CE MET A 704 6.489 -7.308 6.924 1.00 0.00 C
ATOM 46 H MET A 704 10.166 -5.080 1.687 1.00 0.00 H
ATOM 47 HA MET A 704 8.544 -4.750 3.049 1.00 0.00 H
ATOM 48 HB2 MET A 704 10.250 -5.902 4.891 1.00 0.00 H
ATOM 49 HB3 MET A 704 9.685 -4.401 5.661 1.00 0.00 H
ATOM 50 HG2 MET A 704 7.377 -5.127 5.383 1.00 0.00 H
ATOM 51 HG3 MET A 704 7.943 -6.628 4.612 1.00 0.00 H
ATOM 52 HE1 MET A 704 6.297 -7.855 7.847 1.00 0.00 H
ATOM 53 HE2 MET A 704 5.791 -6.475 6.844 1.00 0.00 H
ATOM 54 HE3 MET A 704 6.357 -7.976 6.073 1.00 0.00 H
ENDMDL
END