📄 1t7i.pdb
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REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH 127 DISTANCE = 5.41 ANGSTROMS REMARK 525 HOH 147 DISTANCE = 11.36 ANGSTROMS REMARK 525 HOH 195 DISTANCE = 6.61 ANGSTROMS REMARK 525 HOH 209 DISTANCE = 7.80 ANGSTROMS REMARK 525 HOH 229 DISTANCE = 5.16 ANGSTROMS REMARK 525 HOH 238 DISTANCE = 5.01 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1F7A RELATED DB: PDB REMARK 900 HOW DOES A SYMMETRIC DIMER RECOGNIZE AN ASYMMETRIC REMARK 900 SUBSTRATE? A SUBSTRATE COMPLEX OF HIV-1 PROTEASE. REMARK 900 RELATED ID: 1T3R RELATED DB: PDB REMARK 900 HIV PROTEASE WILD-TYPE IN COMPLEX WITH TMC114 INHIBITOR DBREF 1T7I A 1 99 SWS P35963 POL_HV1Y2 57 155 DBREF 1T7I B 1 99 SWS P35963 POL_HV1Y2 57 155 SEQADV 1T7I LYS A 7 SWS P35963 GLN 63 ENGINEERED SEQADV 1T7I ARG A 14 SWS P35963 LYS 70 ENGINEERED SEQADV 1T7I THR A 82 SWS P35963 VAL 138 ENGINEERED SEQADV 1T7I VAL A 84 SWS P35963 ILE 140 ENGINEERED SEQADV 1T7I LYS B 7 SWS P35963 GLN 63 ENGINEERED SEQADV 1T7I ARG B 14 SWS P35963 LYS 70 ENGINEERED SEQADV 1T7I THR B 82 SWS P35963 VAL 138 ENGINEERED SEQADV 1T7I VAL B 84 SWS P35963 ILE 140 ENGINEERED SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO THR ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO THR ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET PO4 501 5 HET PO4 502 5 HET PO4 503 5 HET PO4 504 5 HET ACT 602 4 HET ACT 603 4 HET 017 200 38 HETNAM PO4 PHOSPHATE ION HETNAM ACT ACETATE ION HETNAM 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3- HETNAM 2 017 [[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2- HETNAM 3 017 HYDROXYPROPYLCARBAMATE HETSYN 017 TMC114; UIC-94017 FORMUL 3 PO4 4(O4 P1 3-) FORMUL 7 ACT 2(C2 H3 O2 1-) FORMUL 9 017 C27 H37 N3 O7 S1 FORMUL 10 HOH *201(H2 O1) HELIX 1 1 GLY A 86 THR A 91 1 6 HELIX 2 2 GLY B 86 THR B 91 1 6 SHEET 1 A 4 GLN A 2 ILE A 3 0 SHEET 2 A 4 THR B 96 ASN B 98 -1 O LEU B 97 N ILE A 3 SHEET 3 A 4 THR A 96 ASN A 98 -1 N ASN A 98 O THR B 96 SHEET 4 A 4 GLN B 2 ILE B 3 -1 O ILE B 3 N LEU A 97 SHEET 1 B 8 LYS A 43 GLY A 49 0 SHEET 2 B 8 GLY A 52 ILE A 66 -1 O GLN A 58 N LYS A 43 SHEET 3 B 8 HIS A 69 VAL A 77 -1 O HIS A 69 N ILE A 66 SHEET 4 B 8 VAL A 32 LEU A 33 1 N LEU A 33 O LEU A 76 SHEET 5 B 8 VAL A 84 ILE A 85 -1 O VAL A 84 N VAL A 32 SHEET 6 B 8 GLN A 18 LEU A 24 1 N LEU A 23 O ILE A 85 SHEET 7 B 8 LEU A 10 ILE A 15 -1 N ILE A 13 O LYS A 20 SHEET 8 B 8 GLY A 52 ILE A 66 -1 O GLU A 65 N ARG A 14 SHEET 1 C 8 LYS B 43 GLY B 49 0 SHEET 2 C 8 GLY B 52 ILE B 66 -1 O GLN B 58 N LYS B 43 SHEET 3 C 8 HIS B 69 VAL B 77 -1 O HIS B 69 N ILE B 66 SHEET 4 C 8 THR B 31 LEU B 33 1 N LEU B 33 O LEU B 76 SHEET 5 C 8 VAL B 84 ILE B 85 -1 O VAL B 84 N VAL B 32 SHEET 6 C 8 GLN B 18 LEU B 24 1 N LEU B 23 O ILE B 85 SHEET 7 C 8 LEU B 10 ILE B 15 -1 N ILE B 13 O LYS B 20 SHEET 8 C 8 GLY B 52 ILE B 66 -1 O GLU B 65 N ARG B 14 CRYST1 50.858 58.040 61.656 90.00 90.00 90.00 P 21 21 21 8 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 0.019663 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017229 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016219 0.00000 ATOM 1 N PRO A 1 28.552 21.566 33.811 1.00 32.14 N ANISOU 1 N PRO A 1 4113 4128 3970 51 -85 48 N ATOM 2 CA PRO A 1 27.572 22.425 34.525 1.00 31.49 C ANISOU 2 CA PRO A 1 3978 4061 3926 -1 -113 43 C ATOM 3 C PRO A 1 26.151 22.171 34.061 1.00 28.98 C ANISOU 3 C PRO A 1 3675 3821 3515 88 -74 26 C ATOM 4 O PRO A 1 25.971 21.520 33.031 1.00 28.26 O ANISOU 4 O PRO A 1 3451 3609 3678 68 -213 -127 O ATOM 5 CB PRO A 1 28.013 23.845 34.151 1.00 31.88 C ANISOU 5 CB PRO A 1 4180 4027 3906 11 -7 -10 C ATOM 6 CG PRO A 1 28.767 23.701 32.858 1.00 30.83 C ANISOU 6 CG PRO A 1 3946 3932 3834 -35 49 48 C ATOM 7 CD PRO A 1 29.343 22.324 32.821 1.00 32.10 C ANISOU 7 CD PRO A 1 4103 4041 4051 20 -113 33 C ATOM 8 N GLN A 2 25.170 22.626 34.834 1.00 26.94 N ANISOU 8 N GLN A 2 3498 3637 3098 172 -217 100 N ATOM 9 CA GLN A 2 23.792 22.719 34.369 1.00 25.32 C ANISOU 9 CA GLN A 2 3292 3401 2925 14 7 103 C ATOM 10 C GLN A 2 23.520 24.169 34.093 1.00 24.62 C ANISOU 10 C GLN A 2 3399 3294 2659 114 -47 33 C ATOM 11 O GLN A 2 23.808 25.027 34.927 1.00 24.65 O ANISOU 11 O GLN A 2 3762 3461 2141 48 -112 144 O ATOM 12 CB GLN A 2 22.805 22.217 35.435 1.00 25.12 C ANISOU 12 CB GLN A 2 3443 3360 2742 28 19 86 C ATOM 13 CG GLN A 2 21.361 22.473 35.079 1.00 26.35 C ANISOU 13 CG GLN A 2 3409 3602 2999 46 104 92 C ATOM 14 CD GLN A 2 20.398 21.608 35.859 1.00 28.54 C ANISOU 14 CD GLN A 2 3923 3920 2998 139 -35 238 C ATOM 15 OE1 GLN A 2 20.041 20.529 35.417 1.00 31.14 O ANISOU 15 OE1 GLN A 2 4165 4356 3310 -255 270 192 O ATOM 16 NE2 GLN A 2 20.007 22.072 37.060 1.00 33.06 N ANISOU 16 NE2 GLN A 2 4353 4688 3520 126 446 108 N ATOM 17 N ILE A 3 23.012 24.469 32.899 1.00 20.83 N ANISOU 17 N ILE A 3 2742 2937 2235 217 49 207 N ATOM 18 CA ILE A 3 22.760 25.874 32.481 1.00 20.29 C ANISOU 18 CA ILE A 3 2817 2868 2024 191 -39 -69 C ATOM 19 C ILE A 3 21.270 26.092 32.157 1.00 20.05 C ANISOU 19 C ILE A 3 2752 2778 2088 312 122 43 C ATOM 20 O ILE A 3 20.708 25.390 31.357 1.00 22.15 O ANISOU 20 O ILE A 3 3088 3155 2171 431 5 -154 O ATOM 21 CB ILE A 3 23.656 26.225 31.266 1.00 21.43 C ANISOU 21 CB ILE A 3 2747 3071 2324 79 77 -7 C ATOM 22 CG1 ILE A 3 25.155 26.000 31.623 1.00 21.76 C ANISOU 22 CG1 ILE A 3 2968 3118 2179 160 99 46 C ATOM 23 CG2 ILE A 3 23.422 27.677 30.808 1.00 22.68 C ANISOU 23 CG2 ILE A 3 3071 3163 2383 31 283 -98 C ATOM 24 CD1 ILE A 3 26.084 26.246 30.530 1.00 24.05 C ANISOU 24 CD1 ILE A 3 2896 3359 2881 80 123 111 C ATOM 25 N THR A 4 20.641 27.005 32.890 1.00 20.75 N ANISOU 25 N THR A 4 3011 2939 1934 299 113 -21 N ATOM 26 CA THR A 4 19.270 27.364 32.642 1.00 21.76 C ANISOU 26 CA THR A 4 3054 2855 2357 230 84 40 C ATOM 27 C THR A 4 19.202 28.400 31.567 1.00 20.33 C ANISOU 27 C THR A 4 2879 2842 2003 277 255 -69 C ATOM 28 O THR A 4 20.234 28.898 31.124 1.00 19.68 O ANISOU 28 O THR A 4 3203 2666 1608 125 -93 25 O ATOM 29 CB THR A 4 18.629 27.906 33.922 1.00 22.52 C ANISOU 29 CB THR A 4 3115 2903 2537 217 176 39 C ATOM 30 OG1 THR A 4 19.366 29.060 34.391 1.00 23.64 O ANISOU 30 OG1 THR A 4 3430 3147 2403 228 -127 37 O ATOM 31 CG2 THR A 4 18.733 26.858 35.048 1.00 22.32 C ANISOU 31 CG2 THR A 4 3263 2753 2462 264 288 95 C ATOM 32 N LEU A 5 17.996 28.713 31.118 1.00 18.53 N ANISOU 32 N LEU A 5 2842 2489 1708 274 396 -13 N ATOM 33 CA LEU A 5 17.847 29.453 29.908 1.00 18.63 C ANISOU 33 CA LEU A 5 2737 2348 1993 141 240 119 C ATOM 34 C LEU A 5 17.118 30.781 30.039 1.00 19.11 C ANISOU 34 C LEU A 5 2794 2646 1818 275 175 -115 C ATOM 35 O LEU A 5 16.686 31.371 29.063 1.00 19.10 O ANISOU 35 O LEU A 5 2853 2518 1886 421 481 -231 O ATOM 36 CB LEU A 5 17.193 28.572 28.895 1.00 17.23 C ANISOU 36 CB LEU A 5 2574 2169 1803 110 528 45 C ATOM 37 CG LEU A 5 18.076 27.361 28.485 1.00 17.46 C ANISOU 37 CG LEU A 5 2548 2211 1873 181 342 -133 C ATOM 38 CD1 LEU A 5 17.325 26.420 27.619 1.00 15.77 C ⌨️ 快捷键说明
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