SIMILAR PATTERNS OF AMINO ACIDS FOR 2WX2_B_TPFB1460_1
List of similar pattern of amino acids derived from ASSAM searchHit | Macromolecule/ Organism |
Pfam | Res. | 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. | 1b0a | PROTEIN (FOLDBIFUNCTIONALPROTEIN) (Escherichiacoli) |
PF00763(THF_DHG_CYH)PF02882(THF_DHG_CYH_C) | 4 | MET A 175ALA A 209THR A 257LEU A 149 | None | 1.02A | 2wx2B-1b0aA:undetectable | 2wx2B-1b0aA:20.33 | ||
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. | 1b7g | PROTEIN(GLYCERALDEHYDE3-PHOSPHATEDEHYDROGENASE) (Sulfolobussolfataricus) |
PF01113(DapB_N)PF02800(Gp_dh_C) | 4 | TYR O 51ALA O 40ALA O 43LEU O 28 | None | 1.02A | 2wx2B-1b7gO:undetectable | 2wx2B-1b7gO:22.18 | ||
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. | 1ggv | DIENELACTONEHYDROLASE (Pseudomonasputida) |
PF01738(DLH) | 4 | ALA A 216ALA A 220THR A 224LEU A 164 | None | 0.92A | 2wx2B-1ggvA:undetectable | 2wx2B-1ggvA:18.34 | ||
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. | 1hl2 | N-ACETYLNEURAMINATELYASE SUBUNIT (Escherichiacoli) |
PF00701(DHDPS) | 4 | PHE A 100TYR A 98ALA A 78THR A 14 | None | 0.70A | 2wx2B-1hl2A:undetectable | 2wx2B-1hl2A:19.37 | ||
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. | 1jro | XANTHINEDEHYDROGENASE, CHAINA (Rhodobactercapsulatus) |
PF00111(Fer2)PF00941(FAD_binding_5)PF01799(Fer2_2)PF03450(CO_deh_flav_C) | 4 | PHE A 384ALA A 439ALA A 443LEU A 401 | None | 1.04A | 2wx2B-1jroA:undetectable | 2wx2B-1jroA:21.83 | ||
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. | 1mdw | CALPAIN II,CATALYTIC SUBUNIT (Rattusnorvegicus) |
PF00648(Peptidase_C2) | 4 | ALA A 112ALA A 110THR A 208LEU A 343 | None | 1.04A | 2wx2B-1mdwA:undetectable | 2wx2B-1mdwA:19.92 | ||
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. | 1mn6 | POLYKETIDE SYNTHASEIV (Streptomycesvenezuelae) |
PF00975(Thioesterase) | 4 | TYR A 216ALA A 151ALA A 154LEU A 126 | None | 0.96A | 2wx2B-1mn6A:undetectable | 2wx2B-1mn6A:20.04 | ||
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. | 1nio | B-LUFFIN (Luffaaegyptiaca) |
PF00161(RIP) | 4 | TYR A 82TYR A 75ALA A 150ALA A 146 | None | 0.84A | 2wx2B-1nioA:undetectable | 2wx2B-1nioA:18.43 | ||
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. | 1nr6 | CYTOCHROME P450 2C5 (Oryctolaguscuniculus) |
PF00067(p450) | 4 | PHE A 114ALA A 294THR A 298LEU A 359 | DIF A 501 (-4.5A)DIF A 501 ( 3.3A)HEM A 500 ( 3.6A)DIF A 501 (-4.4A) | 0.81A | 2wx2B-1nr6A:31.5 | 2wx2B-1nr6A:26.09 | ||
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. | 1s4o | GLYCOLIPID2-ALPHA-MANNOSYLTRANSFERASE (Saccharomycescerevisiae) |
PF01793(Glyco_transf_15) | 4 | TYR A 319ALA A 370ALA A 368LEU A 348 | None | 0.98A | 2wx2B-1s4oA:undetectable | 2wx2B-1s4oA:20.66 | ||
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. | 1soi | MUTT/NUDIX FAMILYPROTEIN (Deinococcusradiodurans) |
PF00293(NUDIX) | 4 | ALA A 62ALA A 66THR A 70LEU A 28 | None | 0.93A | 2wx2B-1soiA:undetectable | 2wx2B-1soiA:16.03 | ||
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. | 1t3q | QUINOLINE2-OXIDOREDUCTASEMEDIUM SUBUNIT (Pseudomonasputida) |
PF00941(FAD_binding_5)PF03450(CO_deh_flav_C) | 4 | ALA C 240ALA C 244THR C 248LEU C 213 | None | 0.56A | 2wx2B-1t3qC:undetectable | 2wx2B-1t3qC:20.25 | ||
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. | 1tsj | CONSERVEDHYPOTHETICAL PROTEIN (Staphylococcusaureus) |
PF06983(3-dmu-9_3-mt) | 4 | PHE A 12ALA A 16THR A 24LEU A 56 | None | 0.84A | 2wx2B-1tsjA:undetectable | 2wx2B-1tsjA:14.77 | ||
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. | 1vrq | SARCOSINE OXIDASEALPHA SUBUNIT (Corynebacteriumsp. U-96) |
PF01571(GCV_T)PF08669(GCV_T_C)PF12831(FAD_oxidored)PF13510(Fer2_4) | 4 | MET A 815ALA A 729THR A 727LEU A 631 | NoneNoneNoneFON A1003 (-3.8A) | 1.03A | 2wx2B-1vrqA:undetectable | 2wx2B-1vrqA:19.63 | ||
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. | 1wc8 | TRAFFICKING PROTEINPARTICLE COMPLEXSUBUNIT3 (Mus musculus) |
PF04051(TRAPP) | 4 | MET A 165ALA A 75ALA A 79LEU A 107 | None | 1.01A | 2wx2B-1wc8A:undetectable | 2wx2B-1wc8A:15.61 | ||
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. | 1z9d | URIDYLATE KINASE (Streptococcuspyogenes) |
PF00696(AA_kinase) | 4 | MET A 219ALA A 34ALA A 36LEU A 51 | None | 0.88A | 2wx2B-1z9dA:undetectable | 2wx2B-1z9dA:19.21 | ||
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. | 2cfo | GLUTAMYL-TRNASYNTHETASE (Synechococcuselongatus) |
PF00749(tRNA-synt_1c) | 4 | ALA A 268ALA A 272THR A 276LEU A 28 | None | 0.97A | 2wx2B-2cfoA:undetectable | 2wx2B-2cfoA:23.42 | ||
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. | 2f5x | BUGD (Bordetellapertussis) |
PF03401(TctC) | 4 | MET A 229ALA A 23ALA A 27LEU A 34 | None | 0.82A | 2wx2B-2f5xA:undetectable | 2wx2B-2f5xA:21.04 | ||
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. | 2fe8 | REPLICASEPOLYPROTEIN 1AB (Severe acuterespiratorysyndrome-relatedcoronavirus) |
PF08715(Viral_protease) | 4 | TYR A 72TYR A 73ALA A 154ALA A 150 | None | 0.81A | 2wx2B-2fe8A:undetectable | 2wx2B-2fe8A:21.12 | ||
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. | 2m5t | HUMAN RHINOVIRUS 2APROTEINASE (Rhinovirus C) |
PF00947(Pico_P2A) | 4 | ALA A 30ALA A 33THR A 120LEU A 93 | None | 1.00A | 2wx2B-2m5tA:undetectable | 2wx2B-2m5tA:13.03 | ||
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. | 2oqa | LUFFACULIN 1 (Luffaacutangula) |
PF00161(RIP) | 4 | TYR A 81TYR A 74ALA A 149ALA A 145 | None | 0.91A | 2wx2B-2oqaA:undetectable | 2wx2B-2oqaA: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. | 2pth | PEPTIDYL-TRNAHYDROLASE (Escherichiacoli) |
PF01195(Pept_tRNA_hydro) | 4 | ALA A 164ALA A 168THR A 172LEU A 89 | None | 0.95A | 2wx2B-2pthA:undetectable | 2wx2B-2pthA:16.77 | ||
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. | 2q9g | CYTOCHROME P450 46A1 (Homo sapiens) |
PF00067(p450) | 4 | TYR A 109PHE A 121ALA A 302THR A 306 | NoneNoneHEM A 505 (-3.7A)HEM A 505 (-3.7A) | 0.83A | 2wx2B-2q9gA:34.2 | 2wx2B-2q9gA:23.58 | ||
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. | 2w1p | AQUAPORIN PIP2-7 7 (Komagataellapastoris) |
PF00230(MIP) | 4 | PHE A 56ALA A 144ALA A 148THR A 152 | None | 0.74A | 2wx2B-2w1pA:undetectable | 2wx2B-2w1pA:18.09 | ||
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. | 2whn | PILUS ASSEMBLYPROTEIN PILC (Thermusthermophilus) |
PF00482(T2SSF) | 4 | TYR A 131ALA A 68THR A 95LEU A 104 | None | 0.96A | 2wx2B-2whnA:undetectable | 2wx2B-2whnA:15.02 | ||
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. | 2wz9 | GLUTAREDOXIN-3 (Homo sapiens) |
PF00085(Thioredoxin) | 4 | ALA A 103ALA A 105THR A 109LEU A 56 | None | 1.04A | 2wx2B-2wz9A:undetectable | 2wx2B-2wz9A:16.28 | ||
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. | 2ymv | ACG NITROREDUCTASE (Mycolicibacteriumsmegmatis) |
no annotation | 4 | ALA A 19ALA A 15THR A 11LEU A 7 | None | 0.98A | 2wx2B-2ymvA:undetectable | 2wx2B-2ymvA:22.29 | ||
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. | 2zay | RESPONSE REGULATORRECEIVER PROTEIN (Desulfuromonasacetoxidans) |
PF00072(Response_reg) | 4 | MET A 103PHE A 105ALA A 87ALA A 60 | None | 0.96A | 2wx2B-2zayA:undetectable | 2wx2B-2zayA:14.80 | ||
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. | 3amj | ZINC PEPTIDASEINACTIVE SUBUNIT (Sphingomonassp. A1) |
PF00675(Peptidase_M16)PF05193(Peptidase_M16_C) | 4 | TYR B 36ALA B 223ALA B 227THR B 231 | None | 0.82A | 2wx2B-3amjB:undetectable | 2wx2B-3amjB:23.62 | ||
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. | 3aux | DNA DOUBLE-STRANDBREAK REPAIR RAD50ATPASE (Methanocaldococcusjannaschii) |
PF13476(AAA_23) | 4 | MET A 973ALA A 29THR A 949LEU A 960 | NoneNone MG A1050 (-3.0A)None | 0.97A | 2wx2B-3auxA:undetectable | 2wx2B-3auxA:22.86 | ||
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. | 3bwh | CUCURMOSIN (Cucurbitamoschata) |
PF00161(RIP) | 4 | TYR A 81TYR A 74ALA A 148ALA A 144 | None | 0.99A | 2wx2B-3bwhA:undetectable | 2wx2B-3bwhA:18.72 | ||
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. | 3e7g | NITRIC OXIDESYNTHASE, INDUCIBLE (Homo sapiens) |
PF02898(NO_synthase) | 4 | TYR A 233ALA A 214THR A 190LEU A 209 | NoneNoneNoneHEM A 901 ( 4.9A) | 0.94A | 2wx2B-3e7gA:undetectable | 2wx2B-3e7gA:21.24 | ||
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. | 3fbl | PUTATIVEUNCHARACTERIZEDPROTEIN (Acidianusfilamentousvirus 1) |
no annotation | 4 | PHE A 78ALA A 121ALA A 125THR A 129 | None | 1.04A | 2wx2B-3fblA:undetectable | 2wx2B-3fblA:10.93 | ||
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. | 3god | CAS1 (Pseudomonasaeruginosa) |
PF01867(Cas_Cas1) | 4 | ALA A 233ALA A 237THR A 241LEU A 313 | None | 0.79A | 2wx2B-3godA:undetectable | 2wx2B-3godA:22.80 | ||
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. | 3hsi | PHOSPHATIDYLSERINESYNTHASE (Haemophilusinfluenzae) |
PF13091(PLDc_2) | 4 | TYR A 277TYR A 328ALA A 323ALA A 321 | None | 1.04A | 2wx2B-3hsiA:undetectable | 2wx2B-3hsiA:20.59 | ||
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. | 3jd5 | 28S RIBOSOMALPROTEIN S2,MITOCHONDRIAL28S RIBOSOMALPROTEIN S9,MITOCHONDRIAL (Bos taurus) |
PF00318(Ribosomal_S2)PF00380(Ribosomal_S9) | 4 | TYR I 152PHE B 160ALA B 197ALA B 201 | None | 0.61A | 2wx2B-3jd5I:undetectable | 2wx2B-3jd5I:23.47 | ||
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. | 3krv | HYDROLASE (Geobacillusstearothermophilus) |
PF04199(Cyclase) | 4 | MET A 42ALA A 194ALA A 196THR A 7 | None | 0.98A | 2wx2B-3krvA:undetectable | 2wx2B-3krvA:20.45 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 3ksw | STEROL 14-ALPHADEMETHYLASE (Trypanosomacruzi) |
PF00067(p450) | 5 | TYR A 103MET A 106ALA A 287ALA A 291THR A 295 | NoneVNF A 490 ( 3.8A)VNF A 490 ( 3.9A)VNF A 490 ( 4.0A)VNF A 490 ( 4.0A) | 0.72A | 2wx2B-3kswA:41.6 | 2wx2B-3kswA:97.24 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 3ksw | STEROL 14-ALPHADEMETHYLASE (Trypanosomacruzi) |
PF00067(p450) | 5 | TYR A 103MET A 106PHE A 110ALA A 287ALA A 291 | NoneVNF A 490 ( 3.8A)NoneVNF A 490 ( 3.9A)VNF A 490 ( 4.0A) | 0.79A | 2wx2B-3kswA:41.6 | 2wx2B-3kswA:97.24 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) |
PF00067(p450) | 6 | MET A 105PHE A 109ALA A 286ALA A 290THR A 294LEU A 355 | TPF A 490 ( 4.0A)TPF A 490 (-4.5A)TPF A 490 (-3.4A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A)TPF A 490 (-4.4A) | 0.97A | 2wx2B-3l4dA:50.9 | 2wx2B-3l4dA:74.46 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) |
PF00067(p450) | 5 | MET A 105PHE A 109TYR A 102ALA A 290THR A 294 | TPF A 490 ( 4.0A)TPF A 490 (-4.5A)HEM A 481 (-4.7A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A) | 1.36A | 2wx2B-3l4dA:50.9 | 2wx2B-3l4dA:74.46 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) |
PF00067(p450) | 7 | TYR A 102MET A 105TYR A 115ALA A 286ALA A 290THR A 294LEU A 355 | HEM A 481 (-4.7A)TPF A 490 ( 4.0A)HEM A 481 ( 4.9A)TPF A 490 (-3.4A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A)TPF A 490 (-4.4A) | 0.58A | 2wx2B-3l4dA:50.9 | 2wx2B-3l4dA:74.46 | ||
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. | 3l76 | ASPARTOKINASE (Synechocystissp. PCC 6803) |
PF00696(AA_kinase)PF01842(ACT)PF13840(ACT_7) | 4 | ALA A 165ALA A 161THR A 157LEU A 150 | None | 1.02A | 2wx2B-3l76A:undetectable | 2wx2B-3l76A:21.45 | ||
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. | 3mmp | RNA-DIRECTED RNAPOLYMERASE BETACHAIN (Escherichiavirus Qbeta) |
no annotation | 4 | TYR G 411ALA G 30ALA G 34LEU G 71 | None | 0.75A | 2wx2B-3mmpG:undetectable | 2wx2B-3mmpG:21.13 | ||
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. | 3oms | PHNB PROTEIN (Bacillus cereus) |
PF06983(3-dmu-9_3-mt) | 4 | PHE A 14ALA A 18THR A 26LEU A 58 | None | 0.72A | 2wx2B-3omsA:undetectable | 2wx2B-3omsA:15.33 | ||
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. | 3p5m | ENOYL-COAHYDRATASE/ISOMERASE (Mycobacteriumavium) |
PF00378(ECH_1) | 4 | ALA A 107ALA A 109THR A 85LEU A 210 | None | 0.96A | 2wx2B-3p5mA:undetectable | 2wx2B-3p5mA:19.29 | ||
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. | 3p5m | ENOYL-COAHYDRATASE/ISOMERASE (Mycobacteriumavium) |
PF00378(ECH_1) | 4 | ALA A 107ALA A 109THR A 85LEU A 213 | None | 1.02A | 2wx2B-3p5mA:undetectable | 2wx2B-3p5mA:19.29 | ||
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. | 3q2i | DEHYDROGENASE (Chromobacteriumviolaceum) |
PF01408(GFO_IDH_MocA)PF02894(GFO_IDH_MocA_C) | 4 | ALA A 49ALA A 53THR A 57LEU A 39 | NAI A 500 ( 3.9A)NoneNoneNone | 1.02A | 2wx2B-3q2iA:undetectable | 2wx2B-3q2iA:20.45 | ||
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. | 3q2k | OXIDOREDUCTASE (Bordetellapertussis) |
PF01408(GFO_IDH_MocA)PF02894(GFO_IDH_MocA_C) | 4 | ALA A 48ALA A 52THR A 56LEU A 38 | NAI A 500 ( 3.9A)NoneNoneNone | 1.02A | 2wx2B-3q2kA:undetectable | 2wx2B-3q2kA:22.82 | ||
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. | 3qi6 | CYSTATHIONINEGAMMA-SYNTHASE METB(CGS) (Mycobacteriumulcerans) |
PF01053(Cys_Met_Meta_PP) | 4 | PHE A 83ALA A 89ALA A 93LEU A 228 | None | 0.87A | 2wx2B-3qi6A:undetectable | 2wx2B-3qi6A:20.73 | ||
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. | 3qki | GLUCOSE-6-PHOSPHATEISOMERASE (Plasmodiumfalciparum) |
PF00342(PGI) | 4 | TYR A 172PHE A 310TYR A 175ALA A 309 | None | 0.95A | 2wx2B-3qkiA:undetectable | 2wx2B-3qkiA:21.84 | ||
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. | 3uon | HUMAN M2 MUSCARINICACETYLCHOLINE,RECEPTOR T4 LYSOZYMEFUSION PROTEIN (Escherichiavirus T4;Homo sapiens) |
PF00001(7tm_1)PF00959(Phage_lysozyme) | 4 | TYR A 440ALA A 391ALA A 395THR A 399 | None | 0.95A | 2wx2B-3uonA:undetectable | 2wx2B-3uonA:22.79 | ||
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. | 3vvd | AMINO ACID ABCTRANSPORTER, BINDINGPROTEIN (Thermusthermophilus) |
PF00497(SBP_bac_3) | 4 | MET A 195PHE A 74ALA A 46LEU A 215 | None | 1.03A | 2wx2B-3vvdA:undetectable | 2wx2B-3vvdA:21.04 | ||
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. | 3wiw | GLYCOSYL HYDROLASEFAMILY 88 (Pedobacterheparinus) |
PF07470(Glyco_hydro_88) | 5 | MET A 284PHE A 294ALA A 245ALA A 249LEU A 316 | None | 1.19A | 2wx2B-3wiwA:undetectable | 2wx2B-3wiwA:22.49 | ||
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. | 3wwx | S12 FAMILY PEPTIDASE (Streptomycessp. 82F2) |
PF00144(Beta-lactamase) | 4 | TYR A 82ALA A 345THR A 43LEU A 47 | None | 1.01A | 2wx2B-3wwxA:undetectable | 2wx2B-3wwxA:20.97 | ||
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. | 4c1t | SUGAR TRANSPORTERSOLUTE-BINDINGPROTEIN (Bifidobacteriumanimalis) |
PF01547(SBP_bac_1) | 4 | MET A 150ALA A 270ALA A 186LEU A 238 | None | 0.84A | 2wx2B-4c1tA:undetectable | 2wx2B-4c1tA:18.71 | ||
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. | 4co8 | ETS TRANSLOCATIONVARIANT 4 (Homo sapiens) |
PF00178(Ets) | 4 | TYR A 418MET A 408PHE A 420LEU A 395 | None | 0.88A | 2wx2B-4co8A:undetectable | 2wx2B-4co8A:18.97 | ||
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. | 4emo | SHARPIN (Homo sapiens) |
PF16764(Sharpin_PH) | 4 | MET A 101PHE A 103ALA A 109ALA A 113 | None | 0.74A | 2wx2B-4emoA:undetectable | 2wx2B-4emoA:14.10 | ||
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. | 4emo | SHARPIN (Homo sapiens) |
PF16764(Sharpin_PH) | 4 | MET A 101PHE A 103ALA A 109LEU A 58 | None | 0.99A | 2wx2B-4emoA:undetectable | 2wx2B-4emoA:14.10 | ||
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. | 4evz | HISF-LUCA (syntheticconstruct) |
PF00977(His_biosynth) | 4 | PHE A 228ALA A 224ALA A 222LEU A 242 | None PI A 301 (-3.8A)NoneNone | 1.03A | 2wx2B-4evzA:undetectable | 2wx2B-4evzA:20.75 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4g3j | STEROL14-ALPHA-DEMETHYLASE (Trypanosomabrucei) |
PF00067(p450) | 6 | MET A 106PHE A 110ALA A 287ALA A 291THR A 295LEU A 356 | VNT A 502 ( 3.9A)VNT A 502 (-4.4A)VNT A 502 ( 3.9A)HEM A 501 ( 3.5A)VNT A 502 ( 3.2A)VNT A 502 ( 4.5A) | 0.84A | 2wx2B-4g3jA:52.6 | 2wx2B-4g3jA:82.47 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4g3j | STEROL14-ALPHA-DEMETHYLASE (Trypanosomabrucei) |
PF00067(p450) | 6 | PHE A 110TYR A 116ALA A 287ALA A 291THR A 295LEU A 356 | VNT A 502 (-4.4A)HEM A 501 ( 4.5A)VNT A 502 ( 3.9A)HEM A 501 ( 3.5A)VNT A 502 ( 3.2A)VNT A 502 ( 4.5A) | 0.66A | 2wx2B-4g3jA:52.6 | 2wx2B-4g3jA:82.47 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4g3j | STEROL14-ALPHA-DEMETHYLASE (Trypanosomabrucei) |
PF00067(p450) | 4 | TYR A 103ALA A 287ALA A 291THR A 295 | VNT A 502 ( 4.8A)VNT A 502 ( 3.9A)HEM A 501 ( 3.5A)VNT A 502 ( 3.2A) | 0.66A | 2wx2B-4g3jA:52.6 | 2wx2B-4g3jA:82.47 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4g3j | STEROL14-ALPHA-DEMETHYLASE (Trypanosomabrucei) |
PF00067(p450) | 4 | TYR A 103ALA A 288THR A 295LEU A 356 | VNT A 502 ( 4.8A)HEM A 501 (-4.4A)VNT A 502 ( 3.2A)VNT A 502 ( 4.5A) | 1.04A | 2wx2B-4g3jA:52.6 | 2wx2B-4g3jA:82.47 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4g3j | STEROL14-ALPHA-DEMETHYLASE (Trypanosomabrucei) |
PF00067(p450) | 4 | TYR A 103TYR A 116THR A 295LEU A 356 | VNT A 502 ( 4.8A)HEM A 501 ( 4.5A)VNT A 502 ( 3.2A)VNT A 502 ( 4.5A) | 1.03A | 2wx2B-4g3jA:52.6 | 2wx2B-4g3jA:82.47 | ||
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. | 4hz4 | GLUTATHIONE-S-TRANSFERASE (Actinobacilluspleuropneumoniae) |
PF00043(GST_C)PF02798(GST_N) | 4 | ALA A 193ALA A 197THR A 201LEU A 30 | None | 0.70A | 2wx2B-4hz4A:undetectable | 2wx2B-4hz4A:20.91 | ||
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. | 4jso | OLIGOPEPTIDE ABCTRANSPORTER,PERIPLASMICOLIGOPEPTIDE-BINDINGPROTEIN (Thermotogamaritima) |
PF00496(SBP_bac_5) | 4 | TYR A 298ALA A 504ALA A 305LEU A 313 | None | 1.01A | 2wx2B-4jsoA:undetectable | 2wx2B-4jsoA:20.75 | ||
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. | 4k05 | CONSERVEDHYPOTHETICALEXPORTED PROTEIN (Bacteroidesfragilis) |
PF07075(DUF1343) | 4 | TYR A 119TYR A 90ALA A 160ALA A 163 | None | 0.88A | 2wx2B-4k05A:undetectable | 2wx2B-4k05A:21.53 | ||
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. | 4l0c | DEFORMYLASE (Pseudomonasputida) |
PF12697(Abhydrolase_6) | 4 | MET A 1PHE A 18ALA A 42LEU A 166 | None | 1.02A | 2wx2B-4l0cA:undetectable | 2wx2B-4l0cA:19.68 | ||
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. | 4mt1 | DRUG EFFLUX PROTEIN (Neisseriagonorrhoeae) |
PF00873(ACR_tran) | 4 | PHE A 626ALA A 639ALA A 643THR A 647 | None | 0.83A | 2wx2B-4mt1A:undetectable | 2wx2B-4mt1A:18.61 | ||
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. | 4nq1 | 4-HYDROXY-TETRAHYDRODIPICOLINATESYNTHASE (Legionellapneumophila) |
PF00701(DHDPS) | 4 | ALA A 74ALA A 41THR A 11LEU A 23 | None | 0.91A | 2wx2B-4nq1A:undetectable | 2wx2B-4nq1A:19.79 | ||
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. | 4rhz | CRY23AA1CRY37AA1 (Bacillusthuringiensis) |
PF03318(ETX_MTX2)no annotation | 4 | TYR B 121ALA B 29THR A 247LEU A 249 | None | 1.04A | 2wx2B-4rhzB:undetectable | 2wx2B-4rhzB:14.56 | ||
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. | 4u14 | MUSCARINICACETYLCHOLINERECEPTORM3,ENDOLYSIN,MUSCARINIC ACETYLCHOLINERECEPTOR M3 (Escherichiavirus T4;Rattusnorvegicus) |
PF00001(7tm_1)PF00959(Phage_lysozyme) | 4 | TYR A 543ALA A 494ALA A 498THR A 502 | None | 0.96A | 2wx2B-4u14A:undetectable | 2wx2B-4u14A:21.89 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4uhi | STEROL 14-ALPHADEMETHYLASE (Homo sapiens) |
PF00067(p450) | 5 | TYR A 131PHE A 139TYR A 145ALA A 311THR A 315 | VFV A 580 (-4.1A)VFV A 580 (-4.2A)HEM A 540 (-4.5A)HEM A 540 ( 3.4A)HEM A 540 (-3.6A) | 0.48A | 2wx2B-4uhiA:34.3 | 2wx2B-4uhiA:35.79 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4uym | 14-ALPHA STEROLDEMETHYLASE (Aspergillusfumigatus) |
PF00067(p450) | 5 | TYR A 122PHE A 130TYR A 136ALA A 303ALA A 307 | VOR A 590 (-3.8A)VOR A 590 (-4.6A)HEM A 580 (-4.6A)VOR A 590 ( 4.4A)VOR A 590 ( 4.0A) | 0.58A | 2wx2B-4uymA:38.1 | 2wx2B-4uymA:31.30 | ||
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. | 4wp0 | KYNURENINE--OXOGLUTARATE TRANSAMINASE 1 (Homo sapiens) |
PF00155(Aminotran_1_2) | 4 | MET A 131TYR A 128ALA A 107ALA A 103 | None | 0.99A | 2wx2B-4wp0A:undetectable | 2wx2B-4wp0A:22.73 | ||
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. | 4zi6 | CYTOSOLAMINOPEPTIDASE (Helicobacterpylori) |
PF00883(Peptidase_M17)PF02789(Peptidase_M17_N) | 4 | ALA A 163ALA A 167THR A 171LEU A 118 | None | 0.95A | 2wx2B-4zi6A:undetectable | 2wx2B-4zi6A:21.75 | ||
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. | 5a08 | PROBABLEMANNOSYLTRANSFERASEKTR4 (Saccharomycescerevisiae) |
PF01793(Glyco_transf_15) | 4 | TYR A 342ALA A 393ALA A 391LEU A 371 | None | 0.91A | 2wx2B-5a08A:undetectable | 2wx2B-5a08A: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. | 5axh | DEXTRANASE (Thermoanaerobacterpseudethanolicus) |
PF13199(Glyco_hydro_66) | 4 | TYR A 235TYR A 184THR A 276LEU A 279 | GLC A 703 ( 4.7A)GLC A 703 ( 4.4A)NoneNone | 1.01A | 2wx2B-5axhA:undetectable | 2wx2B-5axhA:21.19 | ||
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. | 5c0u | ALKYLMERCURY LYASE (Escherichiacoli) |
PF03243(MerB)PF12324(HTH_15) | 4 | PHE A 165ALA A 171ALA A 175LEU A 181 | None | 0.76A | 2wx2B-5c0uA:undetectable | 2wx2B-5c0uA:19.28 | ||
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. | 5exe | OXALATEOXIDOREDUCTASESUBUNIT DELTA (Moorellathermoacetica) |
PF00037(Fer4)PF01558(POR) | 4 | TYR B 200MET B 196ALA B 34ALA B 38 | None | 0.87A | 2wx2B-5exeB:undetectable | 2wx2B-5exeB:18.68 | ||
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. | 5f15 | 4-AMINO-4-DEOXY-L-ARABINOSE (L-ARA4N)TRANSFERASE (Cupriavidusmetallidurans) |
PF13231(PMT_2) | 4 | TYR A 218ALA A 328ALA A 352LEU A 173 | NoneMPG A 614 ( 3.9A)NoneNone | 0.93A | 2wx2B-5f15A:undetectable | 2wx2B-5f15A:20.53 | ||
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. | 5fcl | CRISPR-ASSOCIATEDENDONUCLEASE CAS1 (Pectobacteriumatrosepticum) |
PF01867(Cas_Cas1) | 4 | ALA A 234ALA A 238THR A 242LEU A 314 | None | 0.89A | 2wx2B-5fclA:undetectable | 2wx2B-5fclA:21.62 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 5fsa | CYP51 VARIANT1 (Candidaalbicans) |
PF00067(p450) | 4 | TYR A 118PHE A 126TYR A 132THR A 311 | X2N A 590 ( 4.0A)X2N A 590 (-4.8A)HEM A 580 (-4.1A)HEM A 580 (-3.6A) | 0.50A | 2wx2B-5fsaA:36.3 | 2wx2B-5fsaA:32.50 | ||
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. | 5fsh | CSM6 (Thermusthermophilus) |
PF09670(Cas_Cas02710) | 4 | ALA A 63ALA A 65THR A 95LEU A 99 | None | 1.02A | 2wx2B-5fshA:undetectable | 2wx2B-5fshA:24.42 | ||
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. | 5gmx | CARBOXYLESTERASE (unculturedbacterium) |
PF00144(Beta-lactamase) | 4 | TYR A 92ALA A 169ALA A 173THR A 177 | None | 0.95A | 2wx2B-5gmxA:undetectable | 2wx2B-5gmxA:21.83 | ||
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. | 5hs1 | LANOSTEROL 14-ALPHADEMETHYLASE (Saccharomycescerevisiae) |
PF00067(p450) | 5 | TYR A 126PHE A 134TYR A 140THR A 318LEU A 380 | VOR A 602 ( 3.8A)VOR A 602 (-4.7A)HEM A 601 (-4.3A)HEM A 601 (-3.4A)VOR A 602 (-4.0A) | 0.40A | 2wx2B-5hs1A:36.5 | 2wx2B-5hs1A:29.17 | ||
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. | 5ilu | ETS TRANSLOCATIONVARIANT 4 (Homo sapiens) |
PF00178(Ets) | 4 | TYR A 418MET A 408PHE A 420LEU A 395 | None | 0.88A | 2wx2B-5iluA:undetectable | 2wx2B-5iluA:11.48 | ||
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. | 5jlc | LANOSTEROL 14-ALPHADEMETHYLASE ([Candida]glabrata) |
PF00067(p450) | 5 | TYR A 127PHE A 135TYR A 141THR A 319LEU A 381 | 1YN A 602 ( 3.8A)1YN A 602 ( 4.6A)HEM A 601 (-4.2A)HEM A 601 ( 3.5A)1YN A 602 ( 4.7A) | 0.51A | 2wx2B-5jlcA:35.9 | 2wx2B-5jlcA:29.55 | ||
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. | 5k3h | ACYL-COENZYME AOXIDASE (Caenorhabditiselegans) |
PF01756(ACOX)PF02770(Acyl-CoA_dh_M)PF14749(Acyl-CoA_ox_N) | 4 | ALA A 353ALA A 357THR A 361LEU A 386 | None | 0.78A | 2wx2B-5k3hA:undetectable | 2wx2B-5k3hA:21.65 | ||
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. | 5kei | 2,3-DIHYDROXYBENZOATE-AMP LIGASE (Mycolicibacteriumsmegmatis) |
PF00501(AMP-binding)PF13193(AMP-binding_C) | 4 | TYR A 249ALA A 290ALA A 287LEU A 301 | None | 0.85A | 2wx2B-5keiA:undetectable | 2wx2B-5keiA:23.12 | ||
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. | 5nii | THIOREDOXINREDUCTASE (Desulfovibriovulgaris) |
no annotation | 4 | ALA A 14ALA A 18THR A 22LEU A 6 | FAD A 401 (-3.3A)NoneNoneNone | 1.01A | 2wx2B-5niiA:undetectable | 2wx2B-5niiA:10.11 | ||
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. | 5umu | FACT COMPLEX SUBUNITSPT16 (Homo sapiens) |
no annotation | 4 | TYR A 864MET A 906THR A 894LEU A 842 | NoneNoneFMT A1006 (-3.7A)FMT A1003 ( 3.5A) | 0.78A | 2wx2B-5umuA:undetectable | 2wx2B-5umuA:10.36 | ||
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. | 5w3f | TUBULIN ALPHA-1CHAIN (Saccharomycescerevisiae) |
PF00091(Tubulin)PF03953(Tubulin_C) | 4 | TYR A 409MET A 414ALA A 422THR A 192 | None | 0.94A | 2wx2B-5w3fA:undetectable | 2wx2B-5w3fA:21.23 | ||
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. | 5xb7 | BETA-GALACTOSIDASE (Bifidobacteriumanimalis) |
no annotation | 4 | ALA A 404ALA A 452THR A 477LEU A 481 | None | 1.03A | 2wx2B-5xb7A:undetectable | 2wx2B-5xb7A:22.54 | ||
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. | 5xmj | FUMARATE REDUCTASEFLAVOPROTEIN SUBUNIT (Desulfovibriogigas) |
no annotation | 4 | MET A 33ALA A 215ALA A 16LEU A 164 | NoneFAD A 701 (-4.5A)FAD A 701 (-3.9A)None | 1.03A | 2wx2B-5xmjA:undetectable | 2wx2B-5xmjA:10.47 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) |
no annotation | 7 | TYR A 107MET A 110PHE A 114ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.6A)TPF A 506 (-4.4A)TPF A 506 (-3.5A)TPF A 506 ( 3.2A)HEM A 501 (-3.4A)TPF A 506 ( 4.4A) | 0.69A | 2wx2B-6ay4A:42.7 | 2wx2B-6ay4A:36.59 | ||
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) |
no annotation | 7 | TYR A 107MET A 110TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.6A)NoneTPF A 506 (-3.5A)TPF A 506 ( 3.2A)HEM A 501 (-3.4A)TPF A 506 ( 4.4A) | 0.71A | 2wx2B-6ay4A:42.7 | 2wx2B-6ay4A:36.59 | ||
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. | 6chs | PUTATIVE CELLDIVISION CONTROLPROTEIN (Chaetomiumthermophilum) |
no annotation | 4 | ALA H 271ALA H 275THR H 278LEU H 240 | None | 0.91A | 2wx2B-6chsH:undetectable | 2wx2B-6chsH:11.35 | ||
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. | 6fn1 | HUMAN-MOUSE CHIMERICABCB1 (ABCBHM) (Homo sapiens) |
no annotation | 4 | TYR A 789ALA A 249ALA A 253LEU A 796 | None | 1.03A | 2wx2B-6fn1A:undetectable | 2wx2B-6fn1A:10.99 |