SIMILAR PATTERNS OF AMINO ACIDS FOR 4QWP_B_GCSB306_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit 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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		4 THR A  15
THR A  66
ASP A  63
TYR A  99
 None
 1.47A 4qwpB-1e6zA:
0.0		 4qwpB-1e6zA:
19.22
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.
1fzu GUANYL-SPECIFIC
RIBONUCLEASE T1

(Aspergillus
oryzae) 		PF00545
(Ribonuclease) 		4 THR A  93
THR A  91
ASP A  76
TYR A  11
 None
 1.39A 4qwpB-1fzuA:
0.0		 4qwpB-1fzuA:
19.65
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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 152
THR A 153
ASP A 150
TYR A 160
 None
 1.48A 4qwpB-1h7kA:
0.0		 4qwpB-1h7kA:
19.55
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 THR A  22
THR A  46
ASP A  43
TYR A 167
 None
 1.20A 4qwpB-1j0aA:
0.0		 4qwpB-1j0aA:
22.39
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		4 THR A 415
THR A  68
ASP A 416
TYR A 206
 None
 1.34A 4qwpB-1ks8A:
0.0		 4qwpB-1ks8A:
22.84
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.
1lyb CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		4 THR A  66
THR A  91
ASP A  90
TYR A  59
 None
 1.24A 4qwpB-1lybA:
undetectable		 4qwpB-1lybA:
19.26
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		4 THR A 346
THR A 293
ASP A 290
TYR A 285
 None
 0.98A 4qwpB-1ur1A:
0.0		 4qwpB-1ur1A:
21.22
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.
1wk9 VALYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		4 THR A 219
THR A 272
ASP A 223
TYR A 202
 TSB  A 999 (-3.8A)
TSB  A 999 (-2.5A)
None
None
 1.14A 4qwpB-1wk9A:
0.0		 4qwpB-1wk9A:
20.41
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 THR A 275
THR A 283
ASP A 272
TYR A 330
 None
 1.18A 4qwpB-2bucA:
0.0		 4qwpB-2bucA:
15.69
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		4 ARG A  90
THR A  96
THR A  92
ASP A  93
 NLG  A1302 (-4.3A)
None
None
None
 1.25A 4qwpB-2bufA:
undetectable		 4qwpB-2bufA:
21.97
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.
2hzs RNA POLYMERASE II
MEDIATOR COMPLEX
SUBUNIT 20

(Saccharomyces
cerevisiae) 		PF08612
(Med20) 		4 THR A  61
THR A  69
ASP A 105
TYR A  42
 None
 1.49A 4qwpB-2hzsA:
undetectable		 4qwpB-2hzsA:
22.13
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.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		4 ARG A  64
THR A  61
ASP A  65
TYR A 356
 None
 1.37A 4qwpB-2i7pA:
undetectable		 4qwpB-2i7pA:
23.98
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.
2k7n PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE-LIKE 1

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 ARG A  72
THR A  68
THR A  70
ASP A  66
 None
 1.41A 4qwpB-2k7nA:
undetectable		 4qwpB-2k7nA:
21.56
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 THR A 392
THR A 225
ASP A 209
TYR A 321
 None
 1.41A 4qwpB-2ph5A:
undetectable		 4qwpB-2ph5A:
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		4 THR A  72
THR A  98
ASP A  97
TYR A  65
 None
 1.25A 4qwpB-2qzwA:
undetectable		 4qwpB-2qzwA:
23.32
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 THR A 230
THR A 219
ASP A 231
TYR A 374
 None
 1.33A 4qwpB-2wmhA:
undetectable		 4qwpB-2wmhA:
15.98
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		4 ARG A  32
THR A  51
THR A  49
TYR A 373
 None
 1.28A 4qwpB-3ayxA:
2.5		 4qwpB-3ayxA:
17.62
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.
3bac DNA LIGASE

(Haemophilus
influenzae) 		PF01653
(DNA_ligase_aden) 		4 ARG A  74
THR A 141
THR A 142
ASP A 139
 None
 1.49A 4qwpB-3bacA:
undetectable		 4qwpB-3bacA:
23.55
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.
3bde MLL5499 PROTEIN

(Mesorhizobium
japonicum) 		PF07876
(Dabb) 		4 ARG A   3
THR A   5
ASP A  93
TYR A  65
 None
EDO  A 109 (-3.1A)
None
EDO  A 104 (-3.3A)
 1.49A 4qwpB-3bdeA:
undetectable		 4qwpB-3bdeA:
18.26
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 ARG A 285
THR A 262
THR A 282
ASP A 264
 None
 1.37A 4qwpB-3griA:
undetectable		 4qwpB-3griA:
20.84
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.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 ARG A  83
THR A  59
ASP A  34
TYR A 259
 None
 1.46A 4qwpB-3i2tA:
undetectable		 4qwpB-3i2tA:
17.90
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		4 ARG A 975
THR A 981
THR A 973
ASP A 983
 None
 1.49A 4qwpB-3kz1A:
1.2		 4qwpB-3kz1A:
20.38
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.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 THR A 391
THR A 393
ASP A 389
TYR A 478
 None
 1.25A 4qwpB-3pf2A:
undetectable		 4qwpB-3pf2A:
21.94
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 ARG L  31
THR L  50
THR L  48
TYR L 374
 None
 1.25A 4qwpB-3rgwL:
undetectable		 4qwpB-3rgwL:
17.08
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.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ARG A 286
THR A 282
ASP A 279
TYR A 252
 None
 1.47A 4qwpB-3tgwA:
undetectable		 4qwpB-3tgwA:
22.35
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 THR A1150
THR A1196
ASP A1194
TYR A1446
 None
 1.05A 4qwpB-3topA:
undetectable		 4qwpB-3topA:
15.51
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.
3zw6 RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE 1,
CHLOROPLASTIC

(Nicotiana
tabacum) 		PF00004
(AAA) 		4 ARG A 266
THR A 267
ASP A 268
TYR A 298
 None
 1.46A 4qwpB-3zw6A:
2.5		 4qwpB-3zw6A:
21.97
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 THR A 767
THR A 769
ASP A 765
TYR A 258
 None
None
GOL  A1798 (-4.9A)
GOL  A1798 (-4.6A)
 1.18A 4qwpB-4bq4A:
undetectable		 4qwpB-4bq4A:
15.05
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 124
THR A 149
THR A 152
ASP A 157
 None
 1.14A 4qwpB-4bruA:
undetectable		 4qwpB-4bruA:
20.94
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 4 THR H  17
THR H  18
ASP H  15
TYR H  26
 None
 1.23A 4qwpB-4l0oH:
undetectable		 4qwpB-4l0oH:
20.46
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.
4li2 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Xenopus
tropicalis) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ARG A 307
THR A 330
THR A 328
ASP A 352
 None
 1.20A 4qwpB-4li2A:
undetectable		 4qwpB-4li2A:
20.86
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 THR A 505
THR A 506
ASP A 503
TYR A 538
 None
 1.25A 4qwpB-4m00A:
undetectable		 4qwpB-4m00A:
17.80
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.
4m01 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		no annotation 4 THR A 505
THR A 506
ASP A 503
TYR A 538
 None
 1.26A 4qwpB-4m01A:
undetectable		 4qwpB-4m01A:
21.64
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.
4m02 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 THR A 505
THR A 506
ASP A 503
TYR A 538
 None
 1.32A 4qwpB-4m02A:
undetectable		 4qwpB-4m02A:
20.77
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 ARG A 101
THR A 204
ASP A 201
TYR A 252
 None
None
None
EDO  A 505 (-3.3A)
 1.42A 4qwpB-4m8rA:
undetectable		 4qwpB-4m8rA:
21.50
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 ARG A 101
THR A 204
ASP A 201
TYR A 252
 None
None
None
EDO  A 505 (-3.3A)
 1.50A 4qwpB-4m8rA:
undetectable		 4qwpB-4m8rA:
21.50
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  10
 None
 1.17A 4qwpB-4mjdA:
undetectable		 4qwpB-4mjdA:
18.03
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  11
 None
 1.23A 4qwpB-4mjdA:
undetectable		 4qwpB-4mjdA:
18.03
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  11
 None
 1.28A 4qwpB-4mjdA:
undetectable		 4qwpB-4mjdA:
18.03
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		4 THR A 165
THR A 151
ASP A 167
TYR A 416
 None
 1.13A 4qwpB-4n03A:
undetectable		 4qwpB-4n03A:
22.11
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.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 4 ARG A 608
THR A 605
ASP A 600
TYR A 685
 None
 1.34A 4qwpB-4nuzA:
undetectable		 4qwpB-4nuzA:
15.87
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.
4oq1 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 THR A 269
THR A 271
ASP A 266
TYR A 329
 None
 1.25A 4qwpB-4oq1A:
undetectable		 4qwpB-4oq1A:
22.10
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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ARG A 125
THR A 123
THR A  95
ASP A  94
 None
 1.07A 4qwpB-4u63A:
undetectable		 4qwpB-4u63A:
21.85
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 THR A 219
THR A 217
ASP A 250
TYR A  85
 None
 1.44A 4qwpB-4v1yA:
undetectable		 4qwpB-4v1yA:
20.32
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ARG B 163
THR B 171
THR B 167
ASP B 169
 None
 1.24A 4qwpB-5a8rB:
0.0		 4qwpB-5a8rB:
19.82
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 ARG A 330
THR A 329
THR A 327
ASP A 328
 None
 1.41A 4qwpB-5az4A:
undetectable		 4qwpB-5az4A:
15.04
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.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		4 THR A 181
THR A  36
ASP A 178
TYR A 223
 None
 1.41A 4qwpB-5bncA:
undetectable		 4qwpB-5bncA:
24.73
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.
5c59 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF12704
(MacB_PCD) 		4 ARG A 179
THR A  15
THR A 177
ASP A  17
 None
 1.34A 4qwpB-5c59A:
undetectable		 4qwpB-5c59A:
17.83
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.
5c7q NUDF PROTEIN

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		4 THR A  11
THR A   8
ASP A  25
TYR A  39
 None
 1.16A 4qwpB-5c7qA:
undetectable		 4qwpB-5c7qA:
22.62
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.
5d4k POLYMERIC
IMMUNOGLOBULIN
RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		4 ARG A 416
THR A 414
ASP A 417
TYR A 391
 None
 1.08A 4qwpB-5d4kA:
undetectable		 4qwpB-5d4kA:
18.59
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.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		4 THR A 100
THR A 138
ASP A 101
TYR A 447
 None
 1.05A 4qwpB-5gaiA:
undetectable		 4qwpB-5gaiA:
15.38
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 ARG Y 266
THR Y 158
THR Y 183
ASP Y 160
 None
 0.96A 4qwpB-5gaiY:
undetectable		 4qwpB-5gaiY:
19.24
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.
5gyq SPIKE GLYCOPROTEIN

(Rousettus bat
coronavirus
HKU9) 		PF09408
(Spike_rec_bind) 		4 THR A 157
THR A  67
ASP A  69
TYR A  94
 None
 1.42A 4qwpB-5gyqA:
undetectable		 4qwpB-5gyqA:
21.09
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.
5miy E3 UBIQUITIN LIGASE
RAVN

(Legionella
pneumophila) 		no annotation 4 THR A  48
THR A  49
ASP A  46
TYR A  22
 None
 1.12A 4qwpB-5miyA:
undetectable		 4qwpB-5miyA:
16.05
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.
5mm2 CAPSID PROTEIN VP4A
CAPSID PROTEIN VP4B
CAPSID PROTEIN VP4C

(Nora virus) 		no annotation 4 ARG A 279
THR C 153
ASP A 278
TYR B  58
 None
 1.37A 4qwpB-5mm2A:
undetectable		 4qwpB-5mm2A:
18.18
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.
5n2b PUTATIVE FIMBRIAL
SUBUNIT TYPE 1

(Burkholderia
pseudomallei) 		no annotation 4 THR A 125
THR A 127
ASP A 123
TYR A 138
 None
None
EDO  A 202 (-4.2A)
EDO  A 202 (-3.3A)
 1.18A 4qwpB-5n2bA:
undetectable		 4qwpB-5n2bA:
14.88
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.
5ud7 TRIGGERING RECEPTOR
EXPRESSED ON MYELOID
CELLS 2

(Homo sapiens) 		no annotation 4 ARG A  47
THR A  66
ASP A  86
TYR A  38
 None
 1.49A 4qwpB-5ud7A:
undetectable		 4qwpB-5ud7A:
12.10
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 4 THR A  66
THR A  91
ASP A  90
TYR A  59
 None
 1.21A 4qwpB-5ux4A:
undetectable		 4qwpB-5ux4A:
15.70
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.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 4 THR A 164
THR A 160
ASP A 150
TYR A 223
 None
 1.36A 4qwpB-5vqdA:
undetectable		 4qwpB-5vqdA:
15.93
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.
6ave ACID-SENSING ION
CHANNEL 1

(Gallus gallus) 		no annotation 4 ARG A 325
THR A 315
ASP A 312
TYR A 301
 None
 1.46A 4qwpB-6aveA:
undetectable		 4qwpB-6aveA:
16.73
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 ARG A2514
THR A2145
THR A2143
ASP A2144
 None
 1.45A 4qwpB-6b3rA:
0.4		 4qwpB-6b3rA:
17.07
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 4 ARG A 252
THR A 430
ASP A 431
TYR A 497
 None
 1.17A 4qwpB-6brkA:
0.5		 4qwpB-6brkA:
16.27
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.
6bwy DU-EDITING ENZYME
APOBEC-3G FUSION
PROTECTION OF
TELOMERES PROTEIN 1,
DNA DC->

(Homo sapiens;
Schizosaccharomyces
pombe) 		no annotation 4 ARG A  51
THR A  95
ASP A  93
TYR A  40
 None
 1.47A 4qwpB-6bwyA:
undetectable		 4qwpB-6bwyA:
17.12
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Streptococcus
pyogenes;
Vibrio cholerae) 		no annotation 4 ARG A 608
THR A 605
ASP A 600
TYR A 685
 None
 1.34A 4qwpB-6en3A:
undetectable		 4qwpB-6en3A:
15.29
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.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 4 ARG C 215
THR C  19
ASP C 213
TYR C  15
 None
 1.46A 4qwpB-6fkxC:
undetectable		 4qwpB-6fkxC:
15.70