PDB ID: 3snb Macromolecule: 3C-LIKE PROTEINASEPEPTIDE ALDEHYDEINHIBITOR AC-DSFDQ-H Source Organism: SARSr-CoV Gene names: - UniProt ID: P0C6U8 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3snb'
1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.DrReposER ID / Desc. | Drug | Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|
![]() | 1EIZ_A_SAMA301_1 (FTSJ) | S-Adenosylmethionine | 3 / 3 | ASP A 48ASP H 4ASP A 56 | 1.40A | 18.15 | None | ||
![]() | 2F6D_A_ACRA996_1 (GLUCOAMYLASE GLU1) | Acarbose | 4 / 7 | HIS A 172ASP H 4THR A 169GLY A 170 | 1.47A | 20.36 | ECC H 5 ( 4.8A)NoneNoneNone | ||
![]() | 6F3M_B_ADNB502_1 (-) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.32A | 22.74 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 2VZV_A_GCSA1900_1 (EXO-BETA-D-GLUCOSAMINIDASE) | Glucosamine | 4 / 6 | CYH A 145ASP H 4MET A 49TYR A 54 | 1.75A | 15.74 | ECC H 5 ( 1.7A)NoneNoneNone | ||
![]() | 5M66_D_ADND502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.31A | 19.64 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 4O8F_A_BRLA501_2 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Rosiglitazone | 4 / 5 | GLY A 23LEU A 27ILE A 43LEU A 89 | 1.00A | 20.91 | None | ||
![]() | 1T69_A_SHHA379_1 (HISTONE DEACETYLASE8) | Vorinostat | 5 / 12 | TYR A 118GLY A 146ASP A 187HIS A 41ASP H 4 | 1.42A | 22.86 | NoneNoneNoneECC H 5 ( 4.9A)None | ||
![]() | 2ZJ0_D_2FAD500_1 (ADENOSYLHOMOCYSTEINASE) | Fludarabine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.35A | 20.16 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 3N58_A_ADNA500_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.34A | 21.73 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 6NMP_B_CHDB303_0 (CYTOCHROME C OXIDASESUBUNIT 1CYTOCHROME C OXIDASESUBUNIT 2CYTOCHROME C OXIDASESUBUNIT 6A2,MITOCHONDRIAL) | Cholic Acid | 5 / 9 | MET A 17GLY A 29GLN A 19THR A 21GLY A 143 | 1.61A | 20.2322.7814.33 | NoneNoneNoneNoneECC H 5 ( 4.4A) | ||
![]() | 3CE6_B_ADNB500_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.32A | 20.56 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 6FBP_B_ADNB404_0 (S-ADENOSYLMETHIONINESYNTHASE ISOFORMTYPE-2) | Adenosine | 5 / 12 | ASP A 48ILE A 43HIS A 164ASP H 4ASP A 187 | 1.74A | 19.43 | None | ||
![]() | 6BXN_A_SAMA901_0 (DIPHTHAMIDEBIOSYNTHESIS ENZYMEDPH2) | S-Adenosylmethionine | 5 / 12 | LEU A 58CYH A 44ARG A 40ASP A 187ASP H 4 | 1.75A | 22.22 | None | ||
![]() | 3KK6_B_CELB1701_2 (PROSTAGLANDIN G/HSYNTHASE 1) | Celecoxib | 5 / 6 | VAL A 297LEU A 268ILE A 200ALA A 206LEU A 253 | 1.74A | 18.41 | None | ||
![]() | 4LVC_B_ADNB501_1 (S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE(SAHASE)) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.33A | 19.64 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 5M5K_A_ADNA502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.29A | 19.64 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 1V8B_C_ADNC2502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.33A | 21.70 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 4LVC_A_ADNA501_1 (S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE(SAHASE)) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.32A | 19.64 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 3CE6_A_ADNA500_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.33A | 20.56 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 5HM8_A_ADNA501_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.33A | 20.16 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 3ZOS_A_0LIA1000_1 (EPITHELIAL DISCOIDINDOMAIN-CONTAININGRECEPTOR 1) | Ponatinib | 5 / 12 | THR A 257LEU A 271ARG A 279ALA A 211ASP A 216 | 1.39A | 22.95 | None | ||
![]() | 1D4F_C_ADNC603_1 (S-ADENOSYLHOMOCYSTEINE HYDROLASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.31A | 20.00 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 4QZT_A_RTLA201_0 (RETINOL-BINDINGPROTEIN 2) | Vitamin A | 5 / 12 | MET A 264ILE A 259VAL A 297LEU A 202LEU A 250 | 1.53A | 19.51 | None | ||
![]() | 4OTW_A_DB8A1101_2 (RECEPTORTYROSINE-PROTEINKINASE ERBB-3) | Bosutinib | 3 / 3 | LEU A 202LEU A 272ASN A 231 | 0.96A | 21.25 | None | ||
![]() | 5UTU_H_ADNH503_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.33A | 20.16 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 6GBN_B_ADNB501_1 (-) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.37A | 21.87 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 5V96_A_ADNA502_1 (S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.31A | 20.87 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 3NDV_A_AICA375_1 (BETA-PEPTIDYLAMINOPEPTIDASE) | Ampicillin | 5 / 11 | THR A 201LEU A 242ASN A 231LEU A 205LEU A 268 | 1.47A | 22.90 | None | ||
![]() | 6F3N_A_ADNA505_1 (-) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.30A | 21.24 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 1RMT_D_ADND1504_1 (CLASS B ACIDPHOSPHATASE) | Adenosine | 4 / 8 | ASP H 4LEU A 50ASP H 1THR A 45 | 1.39A | 2.68 | NoneNoneACE H 0 ( 3.7A)None | ||
![]() | 3OU7_C_SAMC300_0 (SAM-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | LEU A 27GLY A 29MET A 17LEU A 86HIS A 163 | 1.65A | 20.86 | NoneNoneNoneNoneECC H 5 ( 3.9A) | ||
![]() | 4DMG_A_SAMA401_0 (PUTATIVEUNCHARACTERIZEDPROTEIN TTHA1493) | S-Adenosylmethionine | 5 / 12 | GLN A 189ASP H 1GLU A 166ALA A 173ASP A 187 | 1.78A | 21.59 | NoneACE H 0 ( 3.7A)ECC H 5 ( 4.0A)NoneNone | ||
![]() | 4JX1_B_CAMB502_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 5 / 10 | PHE A 8GLY A 149ASP A 153ILE A 152VAL A 157 | 1.62A | 20.61 | None | ||
![]() | 5X1B_O_CHDO302_0 (CYTOCHROME C OXIDASESUBUNIT 1CYTOCHROME C OXIDASESUBUNIT 2CYTOCHROME C OXIDASESUBUNIT 6A2,MITOCHONDRIAL) | Cholic Acid | 5 / 11 | GLY A 143MET A 17GLY A 29GLN A 19THR A 21 | 1.64A | 14.3320.2322.78 | ECC H 5 ( 4.4A)NoneNoneNoneNone | ||
![]() | 2BXM_A_IMNA2001_1 (SERUM ALBUMIN) | Indomethacin | 4 / 8 | SER H 2ALA A 173ARG A 40LEU A 27 | 0.98A | 1.09 | None | ||
![]() | 4QVY_H_BO2H301_1 (PROTEASOME SUBUNITBETA TYPE-2) | Bortezomib | 5 / 11 | THR A 135CYH A 128ALA A 173GLY A 174THR A 175 | 1.40A | 20.13 | None | ||
![]() | 5A5Z_A_WJZA304_0 (BETA-LACTAMASE NDM-1) | Tiopronin | 4 / 8 | ASP H 4CYH A 145ASN A 142HIS A 41 | 1.76A | 7.14 | NoneECC H 5 ( 1.7A)NoneECC H 5 ( 4.9A) | ||
![]() | 2AOJ_C_FRDC305_1 (POL POLYPROTEINPEPTIDE INHIBITOR) | Amphetamine | 4 / 5 | LEU A 75ASP A 92GLY A 79VAL A 68 | 1.45A | 18.02 | None | ||
![]() | 4QA2_A_SHHA404_1 (HISTONE DEACETYLASE8) | Vorinostat | 5 / 12 | TYR A 118GLY A 146ASP A 187HIS A 41ASP H 4 | 1.47A | 21.67 | NoneNoneNoneECC H 5 ( 4.9A)None | ||
![]() | 4BZ6_B_SHHB700_1 (HISTONE DEACETYLASE8) | Vorinostat | 5 / 12 | ASP H 4PHE H 3PRO A 39HIS A 41GLY A 143 | 1.73A | 1.16 | NoneNoneNoneECC H 5 ( 4.9A)ECC H 5 ( 4.4A) | ||
![]() | 1WG8_A_SAMA3142_0 (PREDICTEDS-ADENOSYLMETHIONINE-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | PRO A 184THR A 175GLY A 174GLY A 183HIS A 41 | 1.56A | 20.89 | NoneNoneNoneNoneECC H 5 ( 4.9A) | ||
![]() | 5M66_B_ADNB502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.33A | 19.64 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 1XWF_A_ADNA433_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4LEU A 27GLY A 146PHE A 181 | 1.51A | 21.09 | ECC H 5 ( 4.9A)NoneNoneNoneNone | ||
![]() | 6F3M_A_ADNA502_1 (-) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.31A | 21.54 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 6GBN_A_ADNA501_1 (-) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.37A | 21.87 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 4PFJ_A_ADNA502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.34A | 20.09 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 1EJ0_A_SAMA301_1 (FTSJ) | S-Adenosylmethionine | 3 / 3 | ASP A 48ASP H 4ASP A 56 | 1.42A | 18.15 | None | ||
![]() | 3G4L_C_ROFC903_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | Roflumilast | 3 / 3 | SER H 2GLN A 189PHE H 3 | 1.14A | 1.50 | None | ||
![]() | 4C1H_A_X8ZA305_1 (BETA-LACTAMASE 2) | Captopril | 5 / 9 | ASP H 4HIS A 163GLY A 143ASN A 142HIS A 41 | 1.64A | 3.91 | NoneECC H 5 ( 3.9A)ECC H 5 ( 4.4A)NoneECC H 5 ( 4.9A) | ||
![]() | 5NZW_A_9F2A1102_1 (DNA CROSS-LINKREPAIR 1A PROTEIN) | Ceftriaxone | 5 / 10 | HIS A 164ASP H 4HIS A 41THR A 135HIS A 163 | 1.39A | 22.19 | NoneNoneECC H 5 ( 4.9A)NoneECC H 5 ( 3.9A) | ||
![]() | 5AXA_A_ADNA502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.32A | 21.28 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 3DOU_A_SAMA1_1 (RIBOSOMAL RNA LARGESUBUNITMETHYLTRANSFERASE J) | S-Adenosylmethionine | 3 / 3 | ASP A 48ASP H 4ASP A 56 | 1.41A | 18.15 | None | ||
![]() | 5M5K_B_ADNB502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.31A | 19.64 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 2ZJ0_A_2FAA500_1 (ADENOSYLHOMOCYSTEINASE) | Fludarabine | 5 / 12 | HIS A 41ASP H 4GLY A 146HIS A 163PHE A 181 | 1.27A | 20.16 | ECC H 5 ( 4.9A)NoneNoneECC H 5 ( 3.9A)None | ||
![]() | 5EEI_A_SHHA2004_1 (HDAC6 PROTEIN) | Vorinostat | 5 / 12 | SER A 147GLY A 146ASP A 187HIS A 41ASP H 4 | 1.73A | 20.98 | NoneNoneNoneECC H 5 ( 4.9A)None |