USER MOD reduce.3.24.130724 H: found=0, std=0, add=28, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 50 hydrogens (0 hets) HEADER ANTIVIRAL PROTEIN/IMMUNE SYSTEM 07-OCT-11 2LK9 TITLE STRUCTURE OF BST-2/TETHERIN TRANSMEMBRANE DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: BONE MARROW STROMAL ANTIGEN 2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HELICAL SIGNAL-ANCHOR FOR TYPE II MEMBRANE PROTEIN REGION COMPND 5 RESIDUES 22-45; COMPND 6 SYNONYM: BST-2, HM1.24 ANTIGEN, TETHERIN; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BST2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET31B(+) KEYWDS MEMBRANE, MICELLE, ANTIVIRAL PROTEIN-IMMUNE SYSTEM COMPLEX EXPDTA SOLUTION NMR AUTHOR M.SKASKO,Y.WANG,Y.TIAN,A.TOKAREV,J.MUNGUIA,A.RUIZ,E.STEPHENS, AUTHOR 2 S.OPELLA,J.GUATELLI REVDAT 2 18-JAN-12 2LK9 1 JRNL REVDAT 1 09-NOV-11 2LK9 0 JRNL AUTH M.SKASKO,Y.WANG,Y.TIAN,A.TOKAREV,J.MUNGUIA,A.RUIZ, JRNL AUTH 2 E.B.STEPHENS,S.J.OPELLA,J.GUATELLI JRNL TITL HIV-1 VPU PROTEIN ANTAGONIZES INNATE RESTRICTION FACTOR JRNL TITL 2 BST-2 VIA LIPID-EMBEDDED HELIX-HELIX INTERACTIONS. JRNL REF J.BIOL.CHEM. V. 287 58 2012 JRNL REFN ISSN 0021-9258 JRNL PMID 22072710 JRNL DOI 10.1074/JBC.M111.296772 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2LK9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-OCT-11. REMARK 100 THE RCSB ID CODE IS RCSB102484. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-100% 15N] BST, 90% REMARK 210 H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D HNCA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR_NIH, NMRPIPE, NMRVIEW REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 LYS A 18 REMARK 465 ARG A 19 REMARK 465 SER A 20 REMARK 465 LYS A 21 REMARK 465 ILE A 46 REMARK 465 LYS A 47 REMARK 465 LYS A 48 REMARK 465 LYS A 49 REMARK 465 LYS A 50 REMARK 465 LYS A 51 REMARK 465 LYS A 52 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 LEU A 22 CB CG CD1 CD2 REMARK 470 LEU A 23 CB CG CD1 CD2 REMARK 470 LEU A 24 CB CG CD1 CD2 REMARK 470 ILE A 26 CB CG1 CG2 CD1 REMARK 470 ILE A 28 CB CG1 CG2 CD1 REMARK 470 LEU A 29 CB CG CD1 CD2 REMARK 470 VAL A 30 CB CG1 CG2 REMARK 470 LEU A 31 CB CG CD1 CD2 REMARK 470 LEU A 32 CB CG CD1 CD2 REMARK 470 ILE A 33 CB CG1 CG2 CD1 REMARK 470 ILE A 34 CB CG1 CG2 CD1 REMARK 470 VAL A 35 CB CG1 CG2 REMARK 470 ILE A 36 CB CG1 CG2 CD1 REMARK 470 LEU A 37 CB CG CD1 CD2 REMARK 470 VAL A 39 CB CG1 CG2 REMARK 470 PRO A 40 CB CG CD REMARK 470 LEU A 41 CB CG CD1 CD2 REMARK 470 ILE A 42 CB CG1 CG2 CD1 REMARK 470 ILE A 43 CB CG1 CG2 CD1 REMARK 470 PHE A 44 CB CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR A 45 CB OG1 CG2 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 17985 RELATED DB: BMRB DBREF 2LK9 A 18 47 UNP Q10589 BST2_HUMAN 18 47 SEQADV 2LK9 SER A 20 UNP Q10589 CYS 20 ENGINEERED MUTATION SEQADV 2LK9 LYS A 48 UNP Q10589 EXPRESSION TAG SEQADV 2LK9 LYS A 49 UNP Q10589 EXPRESSION TAG SEQADV 2LK9 LYS A 50 UNP Q10589 EXPRESSION TAG SEQADV 2LK9 LYS A 51 UNP Q10589 EXPRESSION TAG SEQADV 2LK9 LYS A 52 UNP Q10589 EXPRESSION TAG SEQRES 1 A 35 LYS ARG SER LYS LEU LEU LEU GLY ILE GLY ILE LEU VAL SEQRES 2 A 35 LEU LEU ILE ILE VAL ILE LEU GLY VAL PRO LEU ILE ILE SEQRES 3 A 35 PHE THR ILE LYS LYS LYS LYS LYS LYS HELIX 1 1 LEU A 22 THR A 45 1 24 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N LEU A 22 6.505 -7.095 0.749 1.00 0.00 N ATOM 2 CA LEU A 22 7.077 -7.161 2.126 1.00 0.00 C ATOM 3 C LEU A 22 7.566 -5.771 2.525 1.00 0.00 C ATOM 4 O LEU A 22 8.143 -5.055 1.730 1.00 0.00 O ATOM 7 N LEU A 23 7.349 -5.381 3.750 1.00 0.00 N ATOM 8 CA LEU A 23 7.810 -4.039 4.190 1.00 0.00 C ATOM 9 C LEU A 23 9.335 -3.950 4.072 1.00 0.00 C ATOM 10 O LEU A 23 9.882 -2.912 3.761 1.00 0.00 O ATOM 0 H LEU A 23 6.873 -5.934 4.463 1.00 0.00 H new ATOM 13 N LEU A 24 10.027 -5.027 4.332 1.00 0.00 N ATOM 14 CA LEU A 24 11.516 -4.985 4.242 1.00 0.00 C ATOM 15 C LEU A 24 11.874 -4.584 2.803 1.00 0.00 C ATOM 16 O LEU A 24 12.756 -3.786 2.565 1.00 0.00 O ATOM 0 H LEU A 24 9.630 -5.927 4.601 1.00 0.00 H new ATOM 19 N GLY A 25 11.167 -5.100 1.832 1.00 0.00 N ATOM 20 CA GLY A 25 11.467 -4.715 0.423 1.00 0.00 C ATOM 21 C GLY A 25 11.328 -3.203 0.266 1.00 0.00 C ATOM 22 O GLY A 25 12.118 -2.556 -0.393 1.00 0.00 O ATOM 0 H GLY A 25 10.403 -5.765 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.477 -5.027 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.786 -5.226 -0.257 1.00 0.00 H new ATOM 26 N ILE A 26 10.332 -2.636 0.887 1.00 0.00 N ATOM 27 CA ILE A 26 10.131 -1.164 0.809 1.00 0.00 C ATOM 28 C ILE A 26 11.343 -0.451 1.418 1.00 0.00 C ATOM 29 O ILE A 26 11.791 0.567 0.929 1.00 0.00 O ATOM 0 H ILE A 26 9.643 -3.135 1.450 1.00 0.00 H new ATOM 32 N GLY A 27 11.868 -0.977 2.496 1.00 0.00 N ATOM 33 CA GLY A 27 13.041 -0.348 3.172 1.00 0.00 C ATOM 34 C GLY A 27 14.220 -0.179 2.213 1.00 0.00 C ATOM 35 O GLY A 27 14.953 0.787 2.293 1.00 0.00 O ATOM 0 H GLY A 27 11.527 -1.829 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.753 0.625 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.346 -0.962 4.019 1.00 0.00 H new ATOM 39 N ILE A 28 14.444 -1.117 1.334 1.00 0.00 N ATOM 40 CA ILE A 28 15.615 -0.991 0.423 1.00 0.00 C ATOM 41 C ILE A 28 15.544 0.348 -0.313 1.00 0.00 C ATOM 42 O ILE A 28 16.539 1.021 -0.472 1.00 0.00 O ATOM 0 H ILE A 28 13.875 -1.954 1.208 1.00 0.00 H new ATOM 45 N LEU A 29 14.385 0.743 -0.765 1.00 0.00 N ATOM 46 CA LEU A 29 14.244 2.035 -1.498 1.00 0.00 C ATOM 47 C LEU A 29 14.771 3.202 -0.658 1.00 0.00 C ATOM 48 O LEU A 29 15.348 4.135 -1.183 1.00 0.00 O ATOM 0 H LEU A 29 13.517 0.218 -0.656 1.00 0.00 H new ATOM 51 N VAL A 30 14.569 3.185 0.629 1.00 0.00 N ATOM 52 CA VAL A 30 15.052 4.318 1.468 1.00 0.00 C ATOM 53 C VAL A 30 16.566 4.490 1.327 1.00 0.00 C ATOM 54 O VAL A 30 17.062 5.597 1.270 1.00 0.00 O ATOM 0 H VAL A 30 14.092 2.439 1.136 1.00 0.00 H new ATOM 57 N LEU A 31 17.313 3.419 1.281 1.00 0.00 N ATOM 58 CA LEU A 31 18.794 3.571 1.159 1.00 0.00 C ATOM 59 C LEU A 31 19.127 4.349 -0.120 1.00 0.00 C ATOM 60 O LEU A 31 20.010 5.183 -0.133 1.00 0.00 O ATOM 0 H LEU A 31 16.970 2.459 1.322 1.00 0.00 H new ATOM 63 N LEU A 32 18.418 4.101 -1.189 1.00 0.00 N ATOM 64 CA LEU A 32 18.683 4.842 -2.459 1.00 0.00 C ATOM 65 C LEU A 32 18.472 6.341 -2.249 1.00 0.00 C ATOM 66 O LEU A 32 19.192 7.158 -2.788 1.00 0.00 O ATOM 0 H LEU A 32 17.664 3.415 -1.238 1.00 0.00 H new ATOM 69 N ILE A 33 17.504 6.716 -1.457 1.00 0.00 N ATOM 70 CA ILE A 33 17.275 8.168 -1.210 1.00 0.00 C ATOM 71 C ILE A 33 18.538 8.781 -0.594 1.00 0.00 C ATOM 72 O ILE A 33 18.938 9.869 -0.937 1.00 0.00 O ATOM 0 H ILE A 33 16.866 6.084 -0.973 1.00 0.00 H new ATOM 75 N ILE A 34 19.171 8.089 0.314 1.00 0.00 N ATOM 76 CA ILE A 34 20.409 8.630 0.948 1.00 0.00 C ATOM 77 C ILE A 34 21.481 8.880 -0.121 1.00 0.00 C ATOM 78 O ILE A 34 22.211 9.851 -0.073 1.00 0.00 O ATOM 0 H ILE A 34 18.883 7.168 0.646 1.00 0.00 H new ATOM 81 N VAL A 35 21.596 7.987 -1.068 1.00 0.00 N ATOM 82 CA VAL A 35 22.635 8.132 -2.132 1.00 0.00 C ATOM 83 C VAL A 35 22.437 9.425 -2.933 1.00 0.00 C ATOM 84 O VAL A 35 23.388 10.102 -3.268 1.00 0.00 O ATOM 0 H VAL A 35 21.010 7.156 -1.151 1.00 0.00 H new ATOM 87 N ILE A 36 21.223 9.773 -3.256 1.00 0.00 N ATOM 88 CA ILE A 36 21.004 11.018 -4.045 1.00 0.00 C ATOM 89 C ILE A 36 21.474 12.231 -3.233 1.00 0.00 C ATOM 90 O ILE A 36 21.995 13.186 -3.774 1.00 0.00 O ATOM 0 H ILE A 36 20.379 9.255 -3.011 1.00 0.00 H new ATOM 93 N LEU A 37 21.325 12.186 -1.935 1.00 0.00 N ATOM 94 CA LEU A 37 21.790 13.312 -1.080 1.00 0.00 C ATOM 95 C LEU A 37 23.302 13.497 -1.257 1.00 0.00 C ATOM 96 O LEU A 37 23.806 14.595 -1.229 1.00 0.00 O ATOM 0 H LEU A 37 20.897 11.410 -1.429 1.00 0.00 H new ATOM 99 N GLY A 38 24.036 12.427 -1.402 1.00 0.00 N ATOM 100 CA GLY A 38 25.517 12.537 -1.567 1.00 0.00 C ATOM 101 C GLY A 38 25.910 13.344 -2.822 1.00 0.00 C ATOM 102 O GLY A 38 26.924 14.003 -2.846 1.00 0.00 O ATOM 0 H GLY A 38 23.672 11.474 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 38 25.944 13.013 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 38 25.948 11.538 -1.631 1.00 0.00 H new ATOM 106 N VAL A 39 25.163 13.238 -3.887 1.00 0.00 N ATOM 107 CA VAL A 39 25.573 13.947 -5.149 1.00 0.00 C ATOM 108 C VAL A 39 25.880 15.446 -4.923 1.00 0.00 C ATOM 109 O VAL A 39 26.964 15.890 -5.243 1.00 0.00 O ATOM 0 H VAL A 39 24.298 12.701 -3.946 1.00 0.00 H new ATOM 112 N PRO A 40 24.987 16.228 -4.360 1.00 0.00 N ATOM 113 CA PRO A 40 25.269 17.671 -4.095 1.00 0.00 C ATOM 114 C PRO A 40 26.504 17.859 -3.207 1.00 0.00 C ATOM 115 O PRO A 40 27.105 18.915 -3.176 1.00 0.00 O ATOM 117 N LEU A 41 26.889 16.840 -2.484 1.00 0.00 N ATOM 118 CA LEU A 41 28.086 16.960 -1.604 1.00 0.00 C ATOM 119 C LEU A 41 29.261 17.420 -2.464 1.00 0.00 C ATOM 120 O LEU A 41 30.088 18.203 -2.042 1.00 0.00 O ATOM 0 H LEU A 41 26.426 15.931 -2.466 1.00 0.00 H new ATOM 123 N ILE A 42 29.350 16.915 -3.664 1.00 0.00 N ATOM 124 CA ILE A 42 30.487 17.299 -4.541 1.00 0.00 C ATOM 125 C ILE A 42 30.554 18.823 -4.671 1.00 0.00 C ATOM 126 O ILE A 42 31.622 19.400 -4.621 1.00 0.00 O ATOM 0 H ILE A 42 28.687 16.256 -4.072 1.00 0.00 H new ATOM 129 N ILE A 43 29.445 19.492 -4.855 1.00 0.00 N ATOM 130 CA ILE A 43 29.512 20.974 -5.000 1.00 0.00 C ATOM 131 C ILE A 43 30.177 21.581 -3.762 1.00 0.00 C ATOM 132 O ILE A 43 31.034 22.433 -3.868 1.00 0.00 O ATOM 0 H ILE A 43 28.512 19.084 -4.910 1.00 0.00 H new ATOM 135 N PHE A 44 29.815 21.130 -2.590 1.00 0.00 N ATOM 136 CA PHE A 44 30.467 21.675 -1.363 1.00 0.00 C ATOM 137 C PHE A 44 31.963 21.358 -1.412 1.00 0.00 C ATOM 138 O PHE A 44 32.797 22.167 -1.056 1.00 0.00 O ATOM 0 H PHE A 44 29.104 20.416 -2.430 1.00 0.00 H new ATOM 141 N THR A 45 32.300 20.172 -1.840 1.00 0.00 N ATOM 142 CA THR A 45 33.733 19.769 -1.912 1.00 0.00 C ATOM 143 C THR A 45 34.512 20.752 -2.791 1.00 0.00 C ATOM 144 O THR A 45 35.640 21.096 -2.500 1.00 0.00 O ATOM 0 H THR A 45 31.638 19.459 -2.146 1.00 0.00 H new TER 147 THR A 45 END