SIMILAR PATTERNS OF AMINO ACIDS FOR 2QBO_A_CAMA442_0

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.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 THR A  94
VAL A 199
VAL A 205
ILE A  80
VAL A 210
 PLP  A 500 (-3.9A)
None
None
None
None
 1.44A 2qboA-1c0nA:
0.0		 2qboA-1c0nA:
23.78
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		5 THR A 170
VAL A 199
VAL A 191
VAL A 243
VAL A 223
 None
 1.47A 2qboA-1gm5A:
undetectable		 2qboA-1gm5A:
20.20
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.
1j2r HYPOTHETICAL
ISOCHORISMATASE
FAMILY PROTEIN YECD

(Escherichia
coli) 		PF00857
(Isochorismatase) 		5 VAL A  44
VAL A  45
ASP A  26
ILE A  25
VAL A  24
 None
 1.12A 2qboA-1j2rA:
0.0		 2qboA-1j2rA:
19.46
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.
1kfr HEMOGLOBIN

(Paramphistomum
epiclitum) 		PF00042
(Globin) 		5 PHE A 119
TYR A 118
THR A  71
ILE A  74
VAL A  75
 None
 1.49A 2qboA-1kfrA:
undetectable		 2qboA-1kfrA:
17.30
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.
1se8 SINGLE-STRAND
BINDING PROTEIN

(Deinococcus
radiodurans) 		PF00436
(SSB) 		5 THR A 139
VAL A 160
VAL A 175
VAL A  99
ASP A 179
 None
 1.39A 2qboA-1se8A:
undetectable		 2qboA-1se8A:
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.
1sky F1-ATPASE

(Bacillus sp.
PS3) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR B 123
VAL B  97
VAL B 108
ILE B 222
VAL B 224
 None
 1.35A 2qboA-1skyB:
0.0		 2qboA-1skyB:
21.47
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		5 THR A  16
VAL A 128
VAL A 132
VAL A  38
ILE A  15
 None
 1.48A 2qboA-1so8A:
0.0		 2qboA-1so8A:
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		5 PHE A 251
VAL A 108
VAL A 281
VAL A 287
ILE A 112
 FAD  A 400 ( 3.7A)
None
None
None
FAD  A 400 (-3.7A)
 1.13A 2qboA-1vdcA:
undetectable		 2qboA-1vdcA:
22.77
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.
1wp5 TOPOISOMERASE IV

(Geobacillus
stearothermophilus) 		PF03989
(DNA_gyraseA_C) 		5 PHE A 159
VAL A 236
VAL A 237
VAL A 211
ILE A 209
 None
 1.46A 2qboA-1wp5A:
undetectable		 2qboA-1wp5A:
20.51
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.
1y80 PREDICTED COBALAMIN
BINDING PROTEIN

(Moorella
thermoacetica) 		PF02310
(B12-binding) 		5 THR A 159
VAL A 132
VAL A 135
VAL A 174
ILE A 160
 None
 1.25A 2qboA-1y80A:
undetectable		 2qboA-1y80A:
19.02
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 254
VAL A 243
VAL A 242
VAL A 239
VAL A 264
 None
 1.47A 2qboA-2d1qA:
undetectable		 2qboA-2d1qA:
21.74
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 THR A 124
VAL A 104
VAL A 115
ILE A 175
VAL A 174
 None
 1.23A 2qboA-2eq5A:
undetectable		 2qboA-2eq5A:
20.52
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.
2fhd DNA REPAIR PROTEIN
RHP9/CRB2

(Schizosaccharomyces
pombe) 		no annotation 5 PHE A 416
VAL A 424
ASP A 453
ILE A 473
VAL A 460
 None
 1.42A 2qboA-2fhdA:
undetectable		 2qboA-2fhdA:
15.88
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.
2fkb PUTATIVE NUDIX
HYDROLASE YFCD

(Escherichia
coli) 		PF00293
(NUDIX) 		5 VAL A  74
VAL A  75
VAL A  21
ILE A  14
VAL A  15
 GOL  A 904 (-3.9A)
None
GOL  A 903 (-4.0A)
None
None
 1.28A 2qboA-2fkbA:
undetectable		 2qboA-2fkbA:
16.59
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 THR A 539
VAL A 516
VAL A 515
ILE A 431
VAL A 538
 None
 1.44A 2qboA-2hnhA:
undetectable		 2qboA-2hnhA:
19.64
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.
2jfn GLUTAMATE RACEMASE

(Escherichia
coli) 		PF01177
(Asp_Glu_race) 		5 VAL A  90
VAL A  89
VAL A  79
ILE A  75
VAL A  76
 None
 0.93A 2qboA-2jfnA:
undetectable		 2qboA-2jfnA:
24.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		9 PHE A  87
TYR A  96
THR A 101
THR A 185
VAL A 247
VAL A 295
ASP A 297
ILE A 395
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
None
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
None
 0.35A 2qboA-2m56A:
68.6		 2qboA-2m56A:
99.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		5 TYR A  96
VAL A 247
VAL A 295
ASP A 297
VAL A 396
 CAM  A 502 (-4.5A)
None
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
 1.37A 2qboA-2m56A:
68.6		 2qboA-2m56A:
99.50
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 PHE A 667
THR A 654
VAL A 625
ILE A 655
VAL A 650
 None
 1.13A 2qboA-2pi5A:
undetectable		 2qboA-2pi5A:
19.73
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 PHE A 206
TYR A 210
VAL A 221
VAL A 175
ILE A 226
 None
 1.23A 2qboA-2v6jA:
undetectable		 2qboA-2v6jA:
21.66
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.
2vp8 DIHYDROPTEROATE
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 VAL A 246
VAL A 190
ASP A 238
ILE A 194
VAL A 193
 None
 1.41A 2qboA-2vp8A:
undetectable		 2qboA-2vp8A:
20.52
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 THR A  66
VAL A 217
VAL A 218
VAL A 247
ASP A 276
 None
None
None
None
ZN  A 401 (-2.9A)
 1.11A 2qboA-2vunA:
undetectable		 2qboA-2vunA:
21.33
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.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A  35
TYR A  34
THR A  61
THR A 166
ASP A 242
 None
 1.43A 2qboA-2x63A:
undetectable		 2qboA-2x63A:
19.06
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.
3cpq 50S RIBOSOMAL
PROTEIN L30E

(Methanocaldococcus
jannaschii) 		PF01248
(Ribosomal_L7Ae) 		5 THR A  29
VAL A  41
VAL A  66
ASP A  54
ILE A  30
 None
 1.47A 2qboA-3cpqA:
undetectable		 2qboA-3cpqA:
13.85
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 4
ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 5

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF05856
(ARPC4)
PF04699
(P16-Arc) 		5 THR F  15
VAL F  53
VAL F  52
VAL G 145
ILE G 142
 None
 1.45A 2qboA-3dwlF:
undetectable		 2qboA-3dwlF:
18.47
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		5 VAL A  84
VAL A  78
ASP A 224
ILE A 188
VAL A 187
 None
None
ACT  A 306 (-2.9A)
None
None
 1.29A 2qboA-3e0fA:
undetectable		 2qboA-3e0fA:
23.09
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.
3f84 CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 VAL A  69
VAL A 105
VAL A  16
ILE A 143
VAL A 145
 None
 1.34A 2qboA-3f84A:
undetectable		 2qboA-3f84A:
22.63
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.
3f84 CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 VAL A 220
VAL A 256
VAL A 167
ILE A 294
VAL A 296
 None
 1.32A 2qboA-3f84A:
undetectable		 2qboA-3f84A:
22.63
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.
3hl1 FERRITIN LIKE
PROTEIN

(Caulobacter
vibrioides) 		PF12902
(Ferritin-like) 		5 TYR A 315
THR A  24
VAL A  31
VAL A  50
ILE A  25
 None
 1.45A 2qboA-3hl1A:
undetectable		 2qboA-3hl1A:
22.43
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 THR A 113
THR A 109
VAL A  42
VAL A  70
VAL A  49
 None
 1.25A 2qboA-3hnrA:
undetectable		 2qboA-3hnrA:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 THR A 369
THR A 332
VAL A 313
ILE A 315
VAL A 331
 None
 1.45A 2qboA-3i04A:
undetectable		 2qboA-3i04A:
21.14
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.
3k6e CBS DOMAIN PROTEIN

(Streptococcus
pneumoniae) 		PF00571
(CBS) 		5 THR A  89
VAL A  58
VAL A  51
VAL A  48
ILE A  61
 None
 1.42A 2qboA-3k6eA:
undetectable		 2qboA-3k6eA:
18.85
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 PHE A 115
THR A 182
THR A 117
VAL A 159
VAL A 170
 None
 1.39A 2qboA-3lppA:
undetectable		 2qboA-3lppA:
18.58
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.
3mkw PROTEIN SOPB

(Escherichia
coli) 		no annotation 5 THR B 199
VAL B 206
VAL B 207
ILE B 258
VAL B 257
 None
 1.08A 2qboA-3mkwB:
undetectable		 2qboA-3mkwB:
17.72
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.
3mky PROTEIN SOPB

(Escherichia
coli) 		no annotation 5 THR B 199
VAL B 206
VAL B 207
ILE B 258
VAL B 257
 None
 1.12A 2qboA-3mkyB:
undetectable		 2qboA-3mkyB:
19.71
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.
3mkz PROTEIN SOPB

(Escherichia
coli) 		no annotation 5 THR A 199
VAL A 206
VAL A 207
ILE A 258
VAL A 257
 None
 1.05A 2qboA-3mkzA:
undetectable		 2qboA-3mkzA:
17.91
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.
3nu8 AMINOTRANSFERASE
WBPE

(Pseudomonas
aeruginosa) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A  60
THR A  80
VAL A  86
VAL A 130
ILE A 128
 LLP  A 185 ( 3.7A)
None
None
None
None
 1.28A 2qboA-3nu8A:
undetectable		 2qboA-3nu8A:
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.
3oai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
MYELIN PROTEIN P0

(Escherichia
coli;
Homo sapiens) 		PF07686
(V-set)
PF13416
(SBP_bac_8) 		5 PHE A1066
TYR A1039
ASP A1092
ILE A1085
VAL A1017
 None
 1.45A 2qboA-3oaiA:
undetectable		 2qboA-3oaiA:
19.70
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		5 PHE A 268
VAL A 254
VAL A 271
ASP A 269
ILE A 270
 None
 1.43A 2qboA-3pzlA:
undetectable		 2qboA-3pzlA:
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 VAL X 417
VAL X 470
ASP X 483
ILE X 481
VAL X 472
 None
 1.39A 2qboA-3rwkX:
undetectable		 2qboA-3rwkX:
22.01
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.
3t1w FOUR-DOMAIN
FIBRONECTIN FRAGMENT

(Homo sapiens) 		PF00041
(fn3) 		5 PHE A1275
THR A1351
VAL A1303
ILE A1283
VAL A1325
 None
 1.50A 2qboA-3t1wA:
undetectable		 2qboA-3t1wA:
24.01
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A  85
VAL A  86
VAL A 303
ASP A 304
ILE A 307
 None
 1.19A 2qboA-3twoA:
undetectable		 2qboA-3twoA:
22.20
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 102
VAL A 120
VAL A 109
ILE A 105
VAL A 106
 None
 1.07A 2qboA-3wsvA:
undetectable		 2qboA-3wsvA:
24.12
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.
3x1l CMR4

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 PHE C  11
THR C 322
VAL C 123
ILE C 295
VAL C 297
 None
 1.23A 2qboA-3x1lC:
undetectable		 2qboA-3x1lC:
22.99
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.
3x1l CMR4

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 PHE C  11
VAL C 318
VAL C 123
ILE C 295
VAL C 297
 None
 0.94A 2qboA-3x1lC:
undetectable		 2qboA-3x1lC:
22.99
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.
4aaj N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Pyrococcus
furiosus) 		PF00697
(PRAI) 		5 THR A  71
VAL A  28
VAL A  27
VAL A  52
ILE A  45
 None
 1.45A 2qboA-4aajA:
undetectable		 2qboA-4aajA:
21.38
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.
4arp PESTICIN

(Yersinia pestis) 		PF16754
(Pesticin) 		5 THR A  95
VAL A 110
VAL A 147
ILE A 140
VAL A 141
 None
 1.30A 2qboA-4arpA:
undetectable		 2qboA-4arpA:
20.51
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A 100
VAL A 133
VAL A 121
ASP A 195
ILE A 119
 None
 1.48A 2qboA-4bruA:
undetectable		 2qboA-4bruA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 TYR A  98
THR A 103
THR A 187
VAL A 303
ASP A 305
ILE A 403
VAL A 404
 None
GOL  A1419 (-3.8A)
None
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
None
GOL  A1419 (-3.5A)
 0.51A 2qboA-4c9mA:
58.4		 2qboA-4c9mA:
44.92
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 VAL A  45
VAL A  71
ASP A  83
ILE A  75
VAL A  74
 None
 1.19A 2qboA-4ddqA:
undetectable		 2qboA-4ddqA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 PHE A  87
THR A 101
VAL A 301
ILE A 401
VAL A 402
 None
HEM  A 501 ( 4.8A)
PEG  A 502 ( 4.5A)
None
None
 0.81A 2qboA-4dxyA:
51.6		 2qboA-4dxyA:
46.08
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.
4epi PESTICIN, LYSOZYME
CHIMERA

(Yersinia
pestis;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 THR A  95
VAL A 110
VAL A 147
ILE A 140
VAL A 141
 None
 1.38A 2qboA-4epiA:
undetectable		 2qboA-4epiA:
22.04
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 285
VAL A 200
ASP A 260
ILE A 262
VAL A 226
 None
 1.45A 2qboA-4f7kA:
undetectable		 2qboA-4f7kA:
24.48
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		5 THR A  54
VAL A 213
VAL A  46
ILE A 101
VAL A 100
 None
 1.10A 2qboA-4h08A:
undetectable		 2qboA-4h08A:
19.25
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.
4hc5 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphaerobacter
thermophilus) 		PF00903
(Glyoxalase) 		5 PHE A 125
VAL A  60
VAL A  51
VAL A  18
ASP A 119
 None
 1.48A 2qboA-4hc5A:
undetectable		 2qboA-4hc5A:
14.42
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.
4jo3 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R20 HEAVY
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H  87
VAL H  12
ASP H  10
ILE H 110
VAL H 111
 None
 1.42A 2qboA-4jo3H:
undetectable		 2qboA-4jo3H:
17.69
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.
4mm0 P450-LIKE
MONOOXYGENASE

(Streptomyces
griseoviridis) 		PF00067
(p450) 		5 THR A 288
THR A 297
VAL A  47
ILE A 294
VAL A  33
 None
 1.25A 2qboA-4mm0A:
43.2		 2qboA-4mm0A:
27.76
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.
4mn7 PUTATIVE
UNCHARACTERIZED
PROTEIN TA0848

(Thermoplasma
acidophilum) 		PF13185
(GAF_2) 		5 PHE A 116
VAL A  28
ASP A 120
ILE A  92
VAL A  94
 None
 1.50A 2qboA-4mn7A:
undetectable		 2qboA-4mn7A:
16.15
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.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		5 PHE A 251
THR A 271
VAL A 268
ILE A 270
VAL A 269
 None
 1.12A 2qboA-4n18A:
undetectable		 2qboA-4n18A:
22.72
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.
4ph6 3-DEHYDROQUINATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF01487
(DHquinase_I) 		5 VAL A  19
VAL A  45
VAL A   6
ILE A  11
VAL A   9
 None
 1.30A 2qboA-4ph6A:
undetectable		 2qboA-4ph6A:
19.72
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 THR A 130
VAL A  52
VAL A  87
ASP A  68
VAL A  66
 None
 1.21A 2qboA-4qdkA:
undetectable		 2qboA-4qdkA:
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.
4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII

(Mycobacterium
ulcerans) 		PF01648
(ACPS) 		5 VAL A  10
VAL A   7
VAL A 111
ILE A 225
VAL A 226
 None
 1.19A 2qboA-4qjlA:
undetectable		 2qboA-4qjlA:
22.04
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.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		5 VAL A 381
VAL A 378
VAL A 482
ILE A 596
VAL A 597
 None
 1.15A 2qboA-4qvhA:
undetectable		 2qboA-4qvhA:
22.95
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.
4u89 PHOSPHOPANTETHEINYL
TRANSFERASE PPTT

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		5 VAL A  10
VAL A   7
VAL A 111
ILE A 225
VAL A 226
 None
 1.17A 2qboA-4u89A:
undetectable		 2qboA-4u89A:
22.60
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 THR A  48
VAL A 231
VAL A 230
VAL A  17
VAL A  24
 None
 1.39A 2qboA-4v0hA:
undetectable		 2qboA-4v0hA:
22.45
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		5 THR A  27
VAL A  59
VAL A  61
ILE A  40
VAL A  41
 None
 1.46A 2qboA-4yamA:
undetectable		 2qboA-4yamA:
22.37
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
 None
 1.26A 2qboA-4yyfA:
undetectable		 2qboA-4yyfA:
22.27
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
 None
 1.31A 2qboA-4yyfA:
undetectable		 2qboA-4yyfA:
22.27
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 THR A 598
VAL A 295
VAL A 589
ASP A 590
VAL A 595
 None
 1.35A 2qboA-4z26A:
undetectable		 2qboA-4z26A:
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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 THR A 151
VAL A 181
VAL A 148
ILE A 150
VAL A 149
 None
 1.48A 2qboA-4zdkA:
undetectable		 2qboA-4zdkA:
23.14
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A  98
TYR A  94
THR A 231
VAL A 177
VAL A 166
 None
 1.38A 2qboA-5dmhA:
undetectable		 2qboA-5dmhA:
23.18
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 VAL A 232
VAL A 233
ASP A 261
ILE A  81
VAL A 245
 None
 1.46A 2qboA-5do7A:
undetectable		 2qboA-5do7A:
20.54
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.
5dus ORF1A

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01661
(Macro) 		5 TYR A 111
VAL A 149
VAL A  14
VAL A 153
VAL A 152
 None
None
None
None
APR  A 201 (-4.8A)
 1.39A 2qboA-5dusA:
undetectable		 2qboA-5dusA:
16.79
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 THR A 531
VAL A 561
VAL A 567
VAL A 125
VAL A 124
 None
 1.11A 2qboA-5haxA:
undetectable		 2qboA-5haxA:
20.56
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PHE A  34
TYR A  16
VAL A  28
VAL A  75
ILE A  78
 None
 1.45A 2qboA-5i1wA:
undetectable		 2qboA-5i1wA:
22.74
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.
5inw PUTATIVE
ANGIOTENSINOGEN
C-TERMINAL PEPTIDE
OF PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis;
Lampetra
fluviatilis) 		PF00079
(Serpin)
PF00079
(Serpin) 		5 TYR A 301
THR A 405
VAL C 432
ILE C 443
VAL C 442
 None
 1.36A 2qboA-5inwA:
undetectable		 2qboA-5inwA:
21.15
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 THR A 314
VAL A 358
VAL A 311
ILE A 312
VAL A 313
 AMP  A 701 (-3.5A)
None
None
AMP  A 701 (-3.7A)
None
 1.49A 2qboA-5kodA:
undetectable		 2qboA-5kodA:
22.75
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 VAL A 701
VAL A 665
VAL A 685
ILE A 687
VAL A 713
 None
 1.37A 2qboA-5ltaA:
undetectable		 2qboA-5ltaA:
19.83
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.
5mh5 D-2-HYDROXYACID
DEHYDROGENASE

(Haloferax
mediterranei) 		no annotation 5 PHE A 252
THR A 272
VAL A 222
VAL A 269
ILE A 271
 None
 1.38A 2qboA-5mh5A:
undetectable		 2qboA-5mh5A:
undetectable
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 THR A 119
VAL A  77
VAL A  76
ILE A  88
VAL A  87
 None
 1.48A 2qboA-5nqdA:
undetectable		 2qboA-5nqdA:
undetectable
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 5 THR A 316
VAL A 575
VAL A 576
ILE A 317
VAL A 313
 None
 1.36A 2qboA-5oglA:
undetectable		 2qboA-5oglA:
20.00
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		5 THR A 134
VAL A 371
VAL A 162
ILE A 133
VAL A 158
 None
 1.32A 2qboA-5y1iA:
38.9		 2qboA-5y1iA:
28.37
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.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 5 THR A 322
VAL A 413
VAL A 412
ASP A 406
ILE A 326
 None
 1.45A 2qboA-6bfnA:
undetectable		 2qboA-6bfnA:
undetectable
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
THR A 309
VAL A 384
VAL A 306
 None
 1.46A 2qboA-6d35A:
undetectable		 2qboA-6d35A:
undetectable
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.
6g7x -

(-) 		no annotation 5 PHE A  12
TYR A  80
VAL A  42
ASP A  11
ILE A  39
 None
 1.31A 2qboA-6g7xA:
undetectable		 2qboA-6g7xA:
undetectable