PDB ID: 6xip Macromolecule: NSP8 Source Organism: SARS-CoV-2 Gene names: - UniProt ID: - |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6xip'
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 | |
---|---|---|---|---|---|---|---|---|---|
![]() | 3WDM_A_ADNA901_1 (4-PHOSPHOPANTOATE--BETA-ALANINE LIGASE) | Adenosine | 5 / 9 | GLY D 113LEU C 60ASN C 69ASN D 109ILE D 106 | 1.50A | 19.08 | NoneNoneNoneEDO D 202 (-3.6A)None | ||
![]() | 5T8H_B_478B401_1 (PROTEASE) | Amprenavir | 5 / 12 | LEU D 103ALA D 150VAL D 130ILE D 119ILE D 106 | 0.94A | 19.05 | NoneEDO D 201 (-3.7A)NoneNoneNone | ||
![]() | 5XIW_B_LOCB504_1 (TUBULIN ALPHA-1BCHAINTUBULIN BETA CHAIN) | Colchicine | 3 / 3 | SER C 26ALA C 30VAL C 33 | 1.24A | 11.50 | NoneEDO C 101 (-3.5A)EDO C 101 ( 4.4A) | ||
![]() | 5N8J_E_DVAE7_0 (GLY-DTY-GLY-DLE-DAL-DSG-DVA-DAS-DGL-DSN-DSN-GLYSTREPTAVIDIN) | L-Valine | 3 / 3 | TYR D 138SER D 173TRP D 182 | 1.06A | 20.97 | None | ||
![]() | 1DF7_A_MTXA501_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | ILE D 106ALA D 110LEU D 91VAL C 16LEU C 13 | 1.17A | 17.72 | None | ||
![]() | 3E22_B_LOCB700_1 (TUBULIN ALPHA-1CCHAINTUBULIN BETA-2BCHAIN) | Colchicine | 3 / 3 | SER C 26ALA C 30VAL C 33 | 0.96A | 11.08 | NoneEDO C 101 (-3.5A)EDO C 101 ( 4.4A) | ||
![]() | 2FT9_A_CHDA131_0 (FATTY ACID-BINDINGPROTEIN 2, LIVER) | Cholic Acid | 5 / 11 | LEU C 13LEU C 17ILE D 106MET C 62LEU C 71 | 1.40A | 21.01 | None | ||
![]() | 5ZV2_A_LEVA801_2 (FIBROBLAST GROWTHFACTOR RECEPTOR 1) | Lenvatinib | 3 / 3 | LYS B 79LEU D 153ASP D 143 | 1.17A | 18.42 | None | ||
![]() | 2NYR_B_SVRB401_1 (NAD-DEPENDENTDEACETYLASESIRTUIN-5) | Suramin | 5 / 12 | ALA D 126ALA D 152ALA D 150TYR D 149LEU C 35 | 1.50A | 16.61 | NoneEDO D 201 ( 4.0A)EDO D 201 (-3.7A)NoneNone | ||
![]() | 5VC0_A_RITA602_1 (CYTOCHROME P450 3A4) | Ritonavir | 5 / 12 | LEU B 103ILE A 39PHE A 49ALA A 48ALA A 0 | 1.23A | 12.88 | None | ||
![]() | 2BYO_A_LNLA1217_1 (LIPOPROTEIN LPPX) | Alpha-Linolenic Acid | 4 / 4 | VAL A 66LEU A 28ILE B 119LEU A 55 | 1.44A | 19.29 | None | ||
![]() | 6HD4_A_STIA604_0 (TYROSINE-PROTEINKINASE ABL1) | Imatinib | 5 / 12 | ILE D 132VAL D 115LEU C 60ALA D 110ASP D 112 | 1.24A | 18.15 | NoneNoneNoneNoneEDO D 202 (-4.1A) | ||
![]() | 1FBM_B_RTLB951_2 (PROTEIN (CARTILAGEOLIGOMERIC MATRIXPROTEIN)) | Vitamin A | 4 / 4 | THR C 9LEU C 13VAL C 16LEU C 20 | 0.39A | 23.75 | None | ||
![]() | 1W0G_A_MYTA1499_1 (CYTOCHROME P450 3A4) | Metyrapone | 4 / 6 | SER C 57ILE D 119THR D 123ALA D 194 | 1.48A | 12.28 | NoneNoneNoneEDO D 201 (-3.4A) | ||
![]() | 5YVN_A_ACTA305_0 (GLUTATHIONES-TRANSFERASEOMEGA-1) | Acetic acid | 4 / 6 | LEU C 71GLN D 88LEU C 13LEU C 59 | 1.42A | 16.09 | None | ||
![]() | 1XDK_B_9CRB600_1 (RETINOIC ACIDRECEPTOR, BETA) | Alitretinoin | 5 / 12 | ALA C 65LEU C 17LEU C 20LEU C 28LEU C 59 | 1.11A | 15.56 | None | ||
![]() | 1PBK_A_RAPA225_1 (FKBP25) | Sirolimus | 5 / 12 | GLY B 113VAL B 131ILE B 132ALA B 188ILE B 156 | 1.18A | 17.21 | NoneNoneNoneNoneEDO B 202 ( 4.6A) | ||
![]() | 3UVV_B_9CRB501_1 (RETINOIC ACIDRECEPTOR RXR-ALPHA) | Alitretinoin | 5 / 12 | ALA D 152ALA D 150VAL D 186ILE D 132CYH D 114 | 1.34A | 18.03 | EDO D 201 ( 4.0A)EDO D 201 (-3.7A)NoneNoneNone | ||
![]() | 4E0F_A_RBFA301_2 (RIBOFLAVIN SYNTHASESUBUNIT ALPHA) | Riboflavin | 3 / 3 | LYS D 127THR D 187ILE D 166 | 1.20A | 19.51 | None | ||
![]() | 3Q70_A_RITA2001_2 (CANDIDAPEPSIN-2) | Ritonavir | 4 / 6 | THR C 46ILE D 120ASP D 101THR C 45 | 1.43A | 14.64 | None | ||
![]() | 2RKG_B_AB1B501_2 (PROTEASE RETROPEPSIN) | Lopinavir | 5 / 12 | LEU B 103ALA B 150VAL B 130ILE B 119ILE B 106 | 0.94A | 17.69 | NoneEDO B 201 (-3.6A)NoneNoneNone | ||
![]() | 4A9K_A_TYLA2200_1 (CREB-BINDING PROTEIN) | Acetaminophen | 4 / 6 | VAL D 130LEU D 128ILE D 120ASN D 105 | 1.15A | 28.26 | NoneNoneNoneEDO D 202 (-4.2A) | ||
![]() | 1TDR_A_MTXA170_2 (TELLUROMETHIONYLDIHYDROFOLATEREDUCTASE) | Methotrexate | 3 / 3 | SER C 61ILE D 185THR D 137 | 1.35A | 17.83 | None | ||
![]() | 1FBM_B_RTLB951_3 (PROTEIN (CARTILAGEOLIGOMERIC MATRIXPROTEIN)) | Vitamin A | 4 / 5 | THR A 9LEU A 13VAL A 16LEU A 20 | 0.63A | 23.75 | None | ||
![]() | 5E5K_B_017B201_1 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | LEU D 103ALA D 150VAL D 130ILE D 119ILE D 106 | 0.89A | 19.05 | NoneEDO D 201 (-3.7A)NoneNoneNone | ||
![]() | 3W68_A_VIVA301_0 (ALPHA-TOCOPHEROLTRANSFER PROTEIN) | Vitamin E | 6 / 12 | VAL A 53SER A 57LEU A 60SER A 61LEU A 17VAL A 22 | 1.37A | 16.41 | EDO B 201 ( 4.7A)NoneNoneNoneNoneNone | ||
![]() | 3S54_B_017B201_2 (PROTEASE) | Darunavir | 5 / 12 | LEU D 103ALA D 150VAL D 130ILE D 119ILE D 106 | 0.93A | 19.05 | NoneEDO D 201 (-3.7A)NoneNoneNone | ||
![]() | 4A9K_A_TYLA2200_1 (CREB-BINDING PROTEIN) | Acetaminophen | 4 / 6 | VAL B 130LEU B 128ILE B 120ASN B 105 | 1.20A | 28.26 | None | ||
![]() | 5XIW_B_LOCB504_1 (TUBULIN ALPHA-1BCHAINTUBULIN BETA CHAIN) | Colchicine | 3 / 3 | SER C 25ALA C 30VAL C 33 | 1.08A | 11.50 | NoneEDO C 101 (-3.5A)EDO C 101 ( 4.4A) | ||
![]() | 1W0G_A_MYTA1499_1 (CYTOCHROME P450 3A4) | Metyrapone | 4 / 6 | ILE C 39ALA C 48THR C 46ALA D 194 | 1.48A | 12.28 | NoneNoneNoneEDO D 201 (-3.4A) | ||
![]() | 1OPJ_A_STIA3_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Imatinib | 5 / 12 | ILE D 132VAL D 115LEU C 60ALA D 110ASP D 112 | 1.22A | 18.15 | NoneNoneNoneNoneEDO D 202 (-4.1A) | ||
![]() | 1W0G_A_MYTA1499_1 (CYTOCHROME P450 3A4) | Metyrapone | 4 / 6 | SER A 57ILE B 119THR B 123ALA B 152 | 1.43A | 12.28 | NoneNoneNoneEDO B 201 ( 4.0A) | ||
![]() | 5VC0_A_RITA602_1 (CYTOCHROME P450 3A4) | Ritonavir | 5 / 12 | LEU D 103ILE C 39PHE C 49ALA C 48ALA C 0 | 1.47A | 12.88 | None | ||
![]() | 2QEU_A_ACTA141_0 (PUTATIVECARBOXYMUCONOLACTONEDECARBOXYLASE) | Acetic acid | 3 / 3 | VAL B 167ASP B 161GLU B 171 | 1.34A | 21.19 | None | ||
![]() | 1PBK_A_RAPA225_1 (FKBP25) | Sirolimus | 5 / 12 | GLY D 113VAL D 131ILE D 132ALA D 188ILE D 156 | 1.17A | 17.21 | None | ||
![]() | 2RKG_B_AB1B501_2 (PROTEASE RETROPEPSIN) | Lopinavir | 5 / 12 | LEU D 103ALA D 150VAL D 130ILE D 119ILE D 106 | 0.91A | 17.69 | NoneEDO D 201 (-3.7A)NoneNoneNone | ||
![]() | 5T8H_B_478B401_1 (PROTEASE) | Amprenavir | 5 / 12 | LEU B 103ALA B 150VAL B 130ILE B 119ILE B 106 | 0.95A | 19.05 | NoneEDO B 201 (-3.6A)NoneNoneNone | ||
![]() | 1DB1_A_VDXA428_2 (VITAMIN D NUCLEARRECEPTOR) | Calcitriol | 4 / 6 | ILE D 156TRP D 154TYR D 149VAL D 160 | 1.38A | 18.10 | None | ||
![]() | 1FBM_B_RTLB951_3 (PROTEIN (CARTILAGEOLIGOMERIC MATRIXPROTEIN)) | Vitamin A | 4 / 5 | THR C 9LEU C 13VAL C 16LEU C 20 | 0.60A | 23.75 | None | ||
![]() | 6HCX_A_ZMRA519_1 (NEURAMINIDASE) | Zanamivir | 3 / 3 | TRP D 154ILE D 120GLU C 50 | 1.14A | 17.29 | NoneNoneEDO D 201 ( 4.6A) | ||
![]() | 6AZ3_1_PAR11803_1 (RRNA ALPHARIBOSOMAL PROTEINEL18) | Paromomycin | 3 / 3 | SER A 1LYS A 2SER A 4 | 1.19A | 17.62 | None | ||
![]() | 1OPJ_A_STIA3_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Imatinib | 5 / 12 | ILE B 132VAL B 115LEU A 60ALA B 110ASP B 112 | 1.20A | 18.15 | None | ||
![]() | 5E5K_B_017B201_1 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | LEU B 103ALA B 150VAL B 130ILE B 119ILE B 106 | 0.92A | 19.05 | NoneEDO B 201 (-3.6A)NoneNoneNone | ||
![]() | 3WDM_A_ADNA901_1 (4-PHOSPHOPANTOATE--BETA-ALANINE LIGASE) | Adenosine | 5 / 9 | GLY B 113LEU A 60ASN A 69ASN B 109ILE B 106 | 1.49A | 19.08 | None | ||
![]() | 4XI3_A_29SA601_2 (ESTROGEN RECEPTOR) | Bazedoxifene | 3 / 3 | LEU D 91ILE C 68LEU C 60 | 0.72A | 18.29 | None | ||
![]() | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4 / 8 | GLY B 113ALA B 110ASN A 69ILE A 68 | 1.08A | 20.99 | None | ||
![]() | 1W0G_A_MYTA1499_1 (CYTOCHROME P450 3A4) | Metyrapone | 4 / 6 | ILE A 39ALA A 48THR A 46ALA B 102 | 1.50A | 12.28 | NoneNoneNoneEDO B 201 ( 4.2A) | ||
![]() | 6HD4_A_STIA604_0 (TYROSINE-PROTEINKINASE ABL1) | Imatinib | 5 / 12 | ILE B 132VAL B 115LEU A 60ALA B 110ASP B 112 | 1.22A | 18.15 | None | ||
![]() | 2QEU_A_ACTA141_0 (PUTATIVECARBOXYMUCONOLACTONEDECARBOXYLASE) | Acetic acid | 3 / 3 | VAL D 167ASP D 161GLU D 171 | 1.38A | 21.19 | None | ||
![]() | 1LIN_A_TFPA153_1 (CALMODULIN) | Trifluoperazine | 4 / 8 | LEU C 40GLU C 47ALA C 48VAL C 6 | 1.46A | 20.45 | None | ||
![]() | 6HCX_A_ZMRA519_1 (NEURAMINIDASE) | Zanamivir | 3 / 3 | TRP B 154ILE B 120GLU A 50 | 1.12A | 17.29 | NoneNoneEDO B 201 ( 4.5A) | ||
![]() | 3Q70_A_RITA2001_2 (CANDIDAPEPSIN-2) | Ritonavir | 4 / 6 | THR A 46ILE B 120ASP B 101THR A 45 | 1.48A | 14.64 | None | ||
![]() | 5CSW_A_P06A801_2 (SERINE/THREONINE-PROTEIN KINASE B-RAF) | Dabrafenib | 3 / 3 | PHE B 92ILE B 107ASP B 99 | 0.85A | 18.38 | None | ||
![]() | 5CSW_A_P06A801_2 (SERINE/THREONINE-PROTEIN KINASE B-RAF) | Dabrafenib | 3 / 3 | PHE D 92ILE D 107ASP D 99 | 0.88A | 18.38 | None | ||
![]() | 3UVV_B_9CRB501_1 (RETINOIC ACIDRECEPTOR RXR-ALPHA) | Alitretinoin | 5 / 12 | ALA B 152ALA B 150VAL B 186ILE B 132CYH B 114 | 1.30A | 18.03 | EDO B 201 ( 4.0A)EDO B 201 (-3.6A)NoneNoneNone | ||
![]() | 1MRQ_A_STRA501_1 (ALDO-KETO REDUCTASEFAMILY 1 MEMBER C1) | Progesterone | 5 / 11 | LEU C 59VAL C 66ILE C 68LEU D 103LEU D 95 | 1.49A | 15.81 | None | ||
![]() | 1W0G_A_MYTA1499_1 (CYTOCHROME P450 3A4) | Metyrapone | 4 / 6 | ILE C 39ALA C 48THR C 46ALA D 102 | 1.49A | 12.28 | NoneNoneNoneEDO D 201 ( 4.4A) | ||
![]() | 1FBM_B_RTLB951_2 (PROTEIN (CARTILAGEOLIGOMERIC MATRIXPROTEIN)) | Vitamin A | 4 / 4 | THR A 9LEU A 13VAL A 16LEU A 20 | 0.41A | 23.75 | None |