Excerpts from file 1FDL.PDB: HEADER COMPLEX (ANTIBODY-ANTIGEN) 27-AUG-90 1FDL 1FDL 2 COMPND IG*G1 FAB FRAGMENT (ANTI-LYSOZYME ANTIBODY D1.3, KAPPA) 1FDL 3 COMPND 2 - LYSOZYME (E.C.3.2.1.17) COMPLEX 1FDL 4 SOURCE MOUSE (MUS $MUSCULUS) FROM BALB/$C STRAIN AND 1FDL 5 SOURCE 2 HEN (GALLUS $GALLUS) EGG WHITE 1FDL 6 AUTHOR T.O.FISCHMANN,R.J.POLJAK 1FDL 7 REVDAT 1 15-OCT-91 1FDL 0 1FDL 8 JRNL AUTH T.O.FISCHMANN,G.A.BENTLEY,T.N.BHAT,G.BOULOT, 1FDL 9 JRNL AUTH 2 R.A.MARIUZZA,S.E.V.PHILLIPS,D.TELLO,R.J.POLJAK 1FDL 10 JRNL TITL CRYSTALLOGRAPHIC REFINEMENT OF THE 1FDL 11 JRNL TITL 2 THREE-DIMENSIONAL STRUCTURE OF THE 1FDL 12 JRNL TITL 3 FAB*D1.3-*LYSOZYME COMPLEX AT 2.5-*ANGSTROMS 1FDL 13 JRNL TITL 4 RESOLUTION 1FDL 14 JRNL REF J.BIOL.CHEM. V. 266 12915 1991 1FDL 15 JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 071 1FDL 16 REMARK 1 1FDL 17 REMARK 2 1FDL 18 REMARK 2 RESOLUTION. 2.5 ANGSTROMS. 1FDL 19 REMARK 3 1FDL 20 REMARK 3 REFINEMENT. BY THE MOLECULAR DYNAMICS PROCEDURES OF A. 1FDL 21 REMARK 3 BRUENGER, J. KURIYAN, AND M. KARPLUS (PROGRAM "XPLOR"). 1FDL 22 REMARK 3 THE R VALUE IS 0.184. THE RMS DEVIATION FROM IDEALITY OF 1FDL 23 REMARK 3 THE BOND DISTANCES IS 0.013 ANGSTROMS. THE RMS DEVIATION 1FDL 24 REMARK 3 FROM IDEALITY OF THE BOND ANGLES IS 3.3 DEGREES. 1FDL 25 REMARK 4 1FDL 26 REMARK 4 CHAIN "L" REPRESENTS ANTIBODY LIGHT CHAIN RESIDUES. CHAIN 1FDL 27 REMARK 4 "H" REPRESENTS ANTIBODY HEAVY CHAIN RESIDUES. CHAIN "Y" 1FDL 28 REMARK 4 REPRESENTS LYSOZYME. 1FDL 29 SEQRES 1 L 214 ASP ILE GLN MET THR GLN SER PRO ALA SER LEU SER ALA 1FDL 30 SEQRES 2 L 214 SER VAL GLY GLU THR VAL THR ILE THR CYS ARG ALA SER 1FDL 31 [13 lines omitted] SEQRES 16 L 214 ALA THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER 1FDL 45 SEQRES 17 L 214 PHE ASN ARG ASN GLU CYS 1FDL 46 SEQRES 1 H 218 GLN VAL GLN LEU LYS GLU SER GLY PRO GLY LEU VAL ALA 1FDL 47 SEQRES 2 H 218 PRO SER GLN SER LEU SER ILE THR CYS THR VAL SER GLY 1FDL 48 [13 lines omitted] SEQRES 16 H 218 VAL THR CYS ASN VAL ALA HIS PRO ALA SER SER THR LYS 1FDL 62 SEQRES 17 H 218 VAL ASP LYS LYS ILE VAL PRO ARG ASP CYS 1FDL 63 SEQRES 1 Y 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS 1FDL 64 SEQRES 2 Y 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY 1FDL 65 [6 lines omitted] SEQRES 9 Y 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY 1FDL 72 SEQRES 10 Y 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU 1FDL 73 FTNOTE 1 1FDL 74 FTNOTE 1 RESIDUES PRO L 8, PRO L 95, PRO L 141, PRO H 150, PRO H 152 1FDL 75 FTNOTE 1 AND PRO H 192 ARE CIS PROLINES. 1FDL 76 SSBOND 1 CYS L 23 CYS L 88 1FDL 77 SSBOND 2 CYS L 134 CYS L 194 1FDL 78 SSBOND 3 CYS H 22 CYS H 95 1FDL 79 SSBOND 4 CYS H 143 CYS H 198 1FDL 80 SSBOND 5 CYS L 214 CYS H 218 1FDL 81 SSBOND 6 CYS Y 6 CYS Y 127 1FDL 82 SSBOND 7 CYS Y 30 CYS Y 115 1FDL 83 SSBOND 8 CYS Y 64 CYS Y 80 1FDL 84 SSBOND 9 CYS Y 76 CYS Y 94 1FDL 85 CRYST1 56.000 143.500 49.300 90.00 120.40 90.00 P 21 2 1FDL 86 ORIGX1 1.000000 0.000000 0.000000 0.00000 1FDL 87 ORIGX2 0.000000 1.000000 0.000000 0.00000 1FDL 88 ORIGX3 0.000000 0.000000 1.000000 0.00000 1FDL 89 SCALE1 0.017857 0.000000 0.010477 0.00000 1FDL 90 SCALE2 0.000000 0.006969 0.000000 0.00000 1FDL 91 SCALE3 0.000000 0.000000 0.023517 0.00000 1FDL 92 ATOM 1 N ASP L 1 4.060 7.307 5.186 1.00 51.58 1FDL 93 ATOM 2 CA ASP L 1 4.042 7.776 6.553 1.00 48.05 1FDL 94 ATOM 3 C ASP L 1 2.668 8.426 6.644 1.00 49.84 1FDL 95 ATOM 4 O ASP L 1 1.987 8.438 5.606 1.00 50.83 1FDL 96 ATOM 5 CB ASP L 1 5.090 8.827 6.797 1.00 50.57 1FDL 97 ATOM 6 CG ASP L 1 6.338 8.761 5.929 1.00 54.09 1FDL 98 ATOM 7 OD1 ASP L 1 6.576 9.758 5.241 1.00 56.90 1FDL 99 ATOM 8 OD2 ASP L 1 7.065 7.759 5.948 1.00 51.06 1FDL 100 ATOM 9 N ILE L 2 2.249 8.961 7.803 1.00 45.48 1FDL 101 ATOM 10 CA ILE L 2 0.920 9.547 7.949 1.00 38.04 1FDL 102 ATOM 11 C ILE L 2 0.950 11.039 7.634 1.00 39.85 1FDL 103 ATOM 12 O ILE L 2 1.800 11.770 8.153 1.00 39.76 1FDL 104 ATOM 13 CB ILE L 2 0.438 9.271 9.402 1.00 37.16 1FDL 105 ATOM 14 CG1 ILE L 2 0.290 7.766 9.577 1.00 31.41 1FDL 106 ATOM 15 CG2 ILE L 2 -0.884 9.974 9.690 1.00 34.89 1FDL 107 ATOM 16 CD1 ILE L 2 0.141 7.273 11.009 1.00 32.83 1FDL 108 ATOM 17 N GLN L 3 0.062 11.520 6.774 1.00 41.12 1FDL 109 [1,640 lines omitted here] ATOM 1658 OE2 GLU L 213 -2.454 63.348 -21.174 1.00 60.81 1FDL1750 ATOM 1659 N CYS L 214 2.669 65.274 -17.328 1.00 67.92 1FDL1751 ATOM 1660 CA CYS L 214 3.648 65.325 -16.253 1.00 76.32 1FDL1752 ATOM 1661 C CYS L 214 3.046 65.575 -14.891 1.00 82.45 1FDL1753 ATOM 1662 O CYS L 214 1.879 65.984 -14.818 1.00 84.00 1FDL1754 ATOM 1663 CB CYS L 214 4.667 66.394 -16.551 1.00 73.55 1FDL1755 ATOM 1664 SG CYS L 214 3.737 67.825 -17.102 1.00 74.12 1FDL1756 ATOM 1665 OXT CYS L 214 3.745 65.292 -13.910 1.00 87.87 1FDL1757 TER 1666 CYS L 214 1FDL1758 ATOM 1667 N GLN H 1 14.408 26.649 34.573 1.00 65.52 1FDL1759 ATOM 1668 CA GLN H 1 13.728 27.465 33.589 1.00 66.30 1FDL1760 ATOM 1669 C GLN H 1 14.331 26.983 32.262 1.00 64.19 1FDL1761 ATOM 1670 O GLN H 1 15.552 27.006 32.087 1.00 61.76 1FDL1762 ATOM 1671 CB GLN H 1 14.011 28.962 33.896 1.00 67.99 1FDL1763 ATOM 1672 CG GLN H 1 15.424 29.594 33.797 1.00 76.04 1FDL1764 ATOM 1673 CD GLN H 1 16.531 28.988 34.662 1.00 79.07 1FDL1765 ATOM 1674 OE1 GLN H 1 16.301 28.004 35.383 1.00 77.95 1FDL1766 ATOM 1675 NE2 GLN H 1 17.749 29.509 34.607 1.00 79.90 1FDL1767 ATOM 1676 N VAL H 2 13.472 26.442 31.391 1.00 57.95 1FDL1768 [1,626 lines omitted] ATOM 3302 OD2 ASP H 217 12.058 66.961 -14.107 1.00100.99 1FDL3394 ATOM 3303 N CYS H 218 7.790 69.673 -15.262 1.00103.02 1FDL3395 ATOM 3304 CA CYS H 218 7.374 70.217 -16.559 1.00102.15 1FDL3396 ATOM 3305 C CYS H 218 6.944 71.706 -16.414 1.00106.32 1FDL3397 ATOM 3306 O CYS H 218 6.956 72.459 -17.395 1.00108.19 1FDL3398 ATOM 3307 CB CYS H 218 6.200 69.442 -17.175 1.00 94.23 1FDL3399 ATOM 3308 SG CYS H 218 4.655 69.396 -16.236 1.00 86.45 1FDL3400 ATOM 3309 OXT CYS H 218 6.617 72.154 -15.303 1.00108.54 1FDL3401 TER 3310 CYS H 218 1FDL3402 ATOM 3311 N LYS Y 1 0.829 -12.809 39.408 1.00 35.17 1FDL3403 ATOM 3312 CA LYS Y 1 0.556 -13.062 38.012 1.00 33.11 1FDL3404 ATOM 3313 C LYS Y 1 1.717 -12.458 37.226 1.00 36.27 1FDL3405 ATOM 3314 O LYS Y 1 2.410 -11.604 37.787 1.00 41.24 1FDL3406 ATOM 3315 CB LYS Y 1 -0.725 -12.392 37.613 1.00 32.88 1FDL3407 ATOM 3316 CG LYS Y 1 -1.037 -12.514 36.140 1.00 33.65 1FDL3408 ATOM 3317 CD LYS Y 1 -2.418 -11.968 35.977 1.00 36.28 1FDL3409 ATOM 3318 CE LYS Y 1 -2.753 -12.152 34.529 1.00 41.85 1FDL3410 ATOM 3319 NZ LYS Y 1 -4.166 -11.870 34.339 1.00 50.96 1FDL3411 ATOM 3320 N VAL Y 2 2.033 -12.918 36.016 1.00 28.01 1FDL3412 [981 lines omitted] ATOM 4302 NH2 ARG Y 128 -6.600 -8.270 17.957 1.00 82.91 1FDL4394 ATOM 4303 N LEU Y 129 -6.283 -1.699 22.247 1.00 51.73 1FDL4395 ATOM 4304 CA LEU Y 129 -6.641 -0.961 23.463 1.00 49.11 1FDL4396 ATOM 4305 C LEU Y 129 -7.953 -0.253 23.204 1.00 58.35 1FDL4397 ATOM 4306 O LEU Y 129 -8.620 0.062 24.193 1.00 63.28 1FDL4398 ATOM 4307 CB LEU Y 129 -5.658 0.120 23.795 1.00 38.11 1FDL4399 ATOM 4308 CG LEU Y 129 -4.328 -0.259 24.311 1.00 37.92 1FDL4400 ATOM 4309 CD1 LEU Y 129 -3.354 0.848 24.035 1.00 40.40 1FDL4401 ATOM 4310 CD2 LEU Y 129 -4.419 -0.497 25.787 1.00 42.85 1FDL4402 ATOM 4311 OXT LEU Y 129 -8.279 -0.012 22.026 1.00 62.00 1FDL4403 TER 4312 LEU Y 129 1FDL4404 CONECT 160 159 672 1FDL4405 [15 lines omitted] CONECT 4199 3548 4198 1FDL4421 CONECT 4291 3358 4290 1FDL4422 MASTER 13 3 0 0 0 0 0 6 4309 3 18 44 1FDL4423 END 1FDL4424