SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2MD'
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
Interface | HETATM | RMSD | Dali Z-score |
Seq. Identity (%) |
View | Dock | |
---|---|---|---|---|---|---|---|---|---|---|---|
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1NW5_A_SAMA401_0 (MODIFICATIONMETHYLASE RSRI) |
1h0h | FORMATEDEHYDROGENASESUBUNIT ALPHA (Desulfovibriogigas) | 5 / 12 | TRP A 538PHE A 513GLY A 127SER A 128ALA A 124 | NoneNoneNone2MD A1001 ( 4.3A)None | 1.28A | 1nw5A-1h0hA:undetectable | 1nw5A-1h0hA:16.06 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1P93_A_DEXA1999_1 (GLUCOCORTICOIDRECEPTOR) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 5 / 12 | GLY X 334GLN X 335GLN X 463THR X 36ILE X 161 | MGD X 802 ( 3.3A)2MD X 801 (-3.2A)NoneNoneNone | 1.34A | 1p93A-2iv2X:undetectable | 1p93A-2iv2X:17.87 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1SQF_A_SAMA430_1 (SUN PROTEIN) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 3 / 3 | PRO A 246ASP A 249ASP A 227 | None2MD A 800 (-3.1A)2MD A 800 (-2.8A) | 0.81A | 1sqfA-1tmoA:undetectable | 1sqfA-1tmoA:19.86 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AOX_A_THAA400_1 (HISTAMINEN-METHYLTRANSFERASE) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 8 | PHE A 16GLN A 659TRP A 118TRP A 198 | None2MD A 799 (-3.7A)2MO A 801 ( 3.9A)None | 1.22A | 2aoxA-1tmoA:2.4 | 2aoxA-1tmoA:15.40 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AOX_B_THAB401_1 (HISTAMINEN-METHYLTRANSFERASE) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 7 | PHE A 16GLN A 659TRP A 118TRP A 198 | None2MD A 799 (-3.7A)2MO A 801 ( 3.9A)None | 1.21A | 2aoxB-1tmoA:2.6 | 2aoxB-1tmoA:15.40 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2F16_2_BO221405_1 (PROTEASOME COMPONENTPRE3) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 11 | THR A 474THR A 472ALA A 473SER A 440GLY A 441 | None2MD A 799 (-4.0A)None2MD A 799 ( 4.4A)2MD A 799 (-3.7A) | 1.21A | 2f162-1tmoA:undetectable | 2f162-1tmoA:12.92 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2F16_N_BO2N1404_1 (PROTEASOME COMPONENTPRE3) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 11 | THR A 474THR A 472ALA A 473SER A 440GLY A 441 | None2MD A 799 (-4.0A)None2MD A 799 ( 4.4A)2MD A 799 (-3.7A) | 1.20A | 2f16N-1tmoA:undetectable | 2f16N-1tmoA:12.92 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2FT9_A_CHDA131_0 (FATTY ACID-BINDINGPROTEIN 2, LIVER) |
1h0h | FORMATEDEHYDROGENASESUBUNIT ALPHA (Desulfovibriogigas) | 5 / 11 | TYR A 139LEU A 143LEU A 148PRO A 519LEU A 612 | NoneNoneNone2MD A1001 ( 4.9A)None | 1.22A | 2ft9A-1h0hA:0.0 | 2ft9A-1h0hA:9.47 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2QBM_A_CAMA517_0 (CYTOCHROME P450-CAM) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 8 | PHE A 524VAL A 465THR A 466ASP A 520ILE A 523 | NoneNoneNone2MD A 799 (-3.4A)None | 1.22A | 2qbmA-1tmoA:undetectable | 2qbmA-1tmoA:18.77 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3A25_A_SAMA279_1 (UNCHARACTERIZEDPROTEIN PH0793) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 3 / 3 | MET A 43GLU A 662ASP A 468 | NoneNone2MD A 799 (-3.1A) | 1.04A | 3a25A-1tmoA:undetectable | 3a25A-1tmoA:17.82 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3BJW_E_SVRE510_3 (PHOSPHOLIPASE A2) |
1h0h | FORMATEDEHYDROGENASESUBUNIT ALPHA (Desulfovibriogigas) | 4 / 5 | VAL A 905THR A 975THR A 954ARG A 906 | NoneNone2MD A1001 ( 4.4A)None | 1.23A | 3bjwG-1h0hA:0.0 | 3bjwG-1h0hA:8.00 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3K2H_B_LYAB514_2 (DIHYDROFOLATEREDUCTASE/THYMIDYLATE SYNTHASE) |
1h0h | FORMATEDEHYDROGENASESUBUNIT ALPHA (Desulfovibriogigas) | 3 / 3 | ARG A 156THR A 854THR A 529 | None2MD A1001 (-3.3A)None | 0.71A | 3k2hB-1h0hA:undetectable | 3k2hB-1h0hA:19.62 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3MG0_2_BO221405_1 (PROTEASOME COMPONENTPRE3PROTEASOME COMPONENTPUP1) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 12 | THR A 474THR A 472ALA A 473SER A 440GLY A 441 | None2MD A 799 (-4.0A)None2MD A 799 ( 4.4A)2MD A 799 (-3.7A) | 1.16A | 3mg02-1tmoA:undetectable3mg0V-1tmoA:undetectable | 3mg02-1tmoA:12.923mg0V-1tmoA:14.34 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3MG0_N_BO2N1404_1 (PROTEASOME COMPONENTPRE3) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 11 | THR A 474THR A 472ALA A 473SER A 440GLY A 441 | None2MD A 799 (-4.0A)None2MD A 799 ( 4.4A)2MD A 799 (-3.7A) | 1.16A | 3mg0N-1tmoA:undetectable | 3mg0N-1tmoA:12.92 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TM4_A_SAMA401_1 (TRNA (GUANINEN2-)-METHYLTRANSFERASE TRM14) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 4 / 5 | HIS X 451THR X 6GLU X 450ASP X 54 | 2MD X 801 (-4.7A)NoneNoneNone | 1.41A | 3tm4A-2iv2X:undetectable | 3tm4A-2iv2X:20.69 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TM4_B_SAMB401_1 (TRNA (GUANINEN2-)-METHYLTRANSFERASE TRM14) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 4 / 5 | HIS X 451THR X 6GLU X 450ASP X 54 | 2MD X 801 (-4.7A)NoneNoneNone | 1.38A | 3tm4B-2iv2X:undetectable | 3tm4B-2iv2X:20.69 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4A83_A_DXCA1160_0 (MAJOR POLLENALLERGEN BET V 1-A) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 5 / 12 | PHE X 462PHE X 455GLN X 335ALA X 341MET X 344 | NoneNone2MD X 801 (-3.2A)NoneNone | 1.39A | 4a83A-2iv2X:undetectable | 4a83A-2iv2X:12.09 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4AZS_A_SAMA1475_1 (METHYLTRANSFERASEWBDD) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 3 / 3 | ARG X 68ASP X 404GLN X 407 | None2MD X 801 (-4.7A)None | 0.87A | 4azsA-2iv2X:undetectable | 4azsA-2iv2X:22.67 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4IKJ_B_SUZB201_1 (TRANSTHYRETIN) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 8 | SER A 129SER A 127ALA A 381SER A 126 | None2MD A 799 (-3.4A)NoneNone | 0.64A | 4ikjA-1tmoA:undetectable4ikjB-1tmoA:undetectable | 4ikjA-1tmoA:11.324ikjB-1tmoA:11.32 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4IKK_A_SUZA201_1 (TRANSTHYRETIN) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 8 | ALA A 381SER A 126SER A 129SER A 127 | NoneNoneNone2MD A 799 (-3.4A) | 0.71A | 4ikkA-1tmoA:undetectable4ikkB-1tmoA:undetectable | 4ikkA-1tmoA:11.324ikkB-1tmoA:11.32 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4JD6_A_TOYA501_1 (ENHANCEDINTRACELLULARSURVIVAL PROTEIN) |
1h0h | FORMATEDEHYDROGENASESUBUNIT ALPHA (Desulfovibriogigas) | 5 / 9 | ASP A 605ILE A 609TRP A 142SER A 125VAL A 126 | 2MD A1001 (-2.8A)NoneNoneNoneNone | 1.50A | 4jd6A-1h0hA:0.0 | 4jd6A-1h0hA:17.36 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4JVL_A_ESTA702_1 (ESTROGENSULFOTRANSFERASE) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 4 / 9 | TYR X 10CYH X 588HIS X 585ILE X 430 | None2MD X 801 (-4.2A)None2MD X 801 (-4.2A) | 1.24A | 4jvlA-2iv2X:undetectable | 4jvlA-2iv2X:17.76 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4N48_A_SAMA601_0 (CAP-SPECIFIC MRNA(NUCLEOSIDE-2'-O-)-METHYLTRANSFERASE 1) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 5 / 12 | GLY X 113GLY X 111THR X 116ASN X 114GLY X 107 | None2MD X 801 (-3.8A)NoneNoneNone | 1.15A | 4n48A-2iv2X:undetectable | 4n48A-2iv2X:21.10 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4N48_B_SAMB601_0 (CAP-SPECIFIC MRNA(NUCLEOSIDE-2'-O-)-METHYLTRANSFERASE 1) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 5 / 12 | GLY X 113GLY X 111THR X 116ASN X 114GLY X 107 | None2MD X 801 (-3.8A)NoneNoneNone | 1.12A | 4n48B-2iv2X:undetectable | 4n48B-2iv2X:21.10 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4ZZC_A_ACTA401_0 (PROTON-GATED IONCHANNEL) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 4 / 6 | ILE X 430PHE X 431ARG X 61ILE X 52 | 2MD X 801 (-4.2A)NoneNoneNone | 1.00A | 4zzcA-2iv2X:undetectable4zzcB-2iv2X:undetectable | 4zzcA-2iv2X:17.874zzcB-2iv2X:17.87 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4ZZC_B_ACTB401_0 (PROTON-GATED IONCHANNEL) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 4 / 6 | ILE X 430PHE X 431ARG X 61ILE X 52 | 2MD X 801 (-4.2A)NoneNoneNone | 1.08A | 4zzcB-2iv2X:undetectable4zzcC-2iv2X:undetectable | 4zzcB-2iv2X:17.874zzcC-2iv2X:17.87 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5AMI_B_EF2B151_1 (CEREBLON ISOFORM 4) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 8 | ASN A 443PRO A 444PHE A 439SER A 440 | 2MD A 799 (-4.5A)NoneNone2MD A 799 ( 4.4A) | 0.65A | 5amiB-1tmoA:undetectable | 5amiB-1tmoA:9.59 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5EDL_A_VIBA201_1 (PUTATIVEHMP/THIAMINEPERMEASE PROTEINYKOE) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 5 / 12 | TYR X 10TRP X 448ILE X 430SER X 590ARG X 110 | NoneNone2MD X 801 (-4.2A)2MD X 801 (-3.2A)2MD X 801 (-4.4A) | 1.47A | 5edlA-2iv2X:0.6 | 5edlA-2iv2X:15.24 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5IKR_B_ID8B602_2 (PROSTAGLANDIN G/HSYNTHASE 2) |
2iv2 | FORMATEDEHYDROGENASE H (Escherichiacoli) | 3 / 3 | SER X 445LEU X 75MET X 66 | 2MD X 801 (-2.9A)NoneNone | 0.70A | 5ikrB-2iv2X:undetectable | 5ikrB-2iv2X:22.48 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5LF7_B_6V8B304_0 (PROTEASOME SUBUNITBETA TYPE-6PROTEASOME SUBUNITBETA TYPE-7) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 12 | THR A 474THR A 472ALA A 473SER A 440GLY A 441 | None2MD A 799 (-4.0A)None2MD A 799 ( 4.4A)2MD A 799 (-3.7A) | 1.13A | 5lf7V-1tmoA:undetectable5lf7b-1tmoA:undetectable | 5lf7V-1tmoA:14.235lf7b-1tmoA:14.15 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5LF7_N_6V8N305_0 (PROTEASOME SUBUNITBETA TYPE-6PROTEASOME SUBUNITBETA TYPE-7) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 5 / 12 | THR A 474THR A 472ALA A 473SER A 440GLY A 441 | None2MD A 799 (-4.0A)None2MD A 799 ( 4.4A)2MD A 799 (-3.7A) | 1.13A | 5lf7H-1tmoA:undetectable5lf7N-1tmoA:undetectable | 5lf7H-1tmoA:14.235lf7N-1tmoA:14.15 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5N0O_A_SAMA501_1 (PEPTIDEN-METHYLTRANSFERASE) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 3 / 3 | ALA A 152GLN A 333THR A 761 | None2MD A 800 (-3.5A)None | 0.71A | 5n0oA-1tmoA:undetectable | 5n0oA-1tmoA:18.21 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5N4T_B_BEZB306_0 (BETA-LACTAMASE VIM-2) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 3 / 3 | HIS A 447ASN A 446ALA A 473 | 2MD A 799 (-4.2A)2MD A 799 (-3.8A)None | 0.74A | 5n4tB-1tmoA:undetectable | 5n4tB-1tmoA:14.09 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5XPR_A_K86A1201_2 (ENDOTHELIN BRECEPTOR,ENDOLYSIN,ENDOTHELIN B RECEPTOR) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 4 | ASP A 189PRO A 652GLU A 724TYR A 771 | None2MD A 800 (-4.1A)2MD A 799 ( 4.5A)2MD A 799 (-4.8A) | 1.44A | 5xprA-1tmoA:0.0 | 5xprA-1tmoA:20.39 | ||
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6GIQ_T_PCFT101_0 (CYTOCHROME B-C1COMPLEX SUBUNIT 1,MITOCHONDRIALCYTOCHROME B-C1COMPLEX SUBUNIT 9CYTOCHROME B-C1COMPLEX SUBUNITRIESKE,MITOCHONDRIAL) |
1tmo | TRIMETHYLAMINEN-OXIDE REDUCTASE (Shewanellamassilia) | 4 / 8 | MET A 50GLY A 441SER A 127VAL A 469 | None2MD A 799 (-3.7A)2MD A 799 (-3.4A)None | 0.94A | 6giqL-1tmoA:undetectable6giqP-1tmoA:undetectable6giqT-1tmoA:undetectable | 6giqL-1tmoA:20.646giqP-1tmoA:13.756giqT-1tmoA:6.20 |