SIMILAR PATTERNS OF AMINO ACIDS FOR 6HWD_B_BO2B201_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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		5 THR A 280
THR A 306
GLY A 338
ALA A 342
THR A 380
 None
 1.20A 6hwdV-1cemA:
undetectable
6hwdb-1cemA:
undetectable		 6hwdV-1cemA:
12.57
6hwdb-1cemA:
13.14
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 THR A 136
THR A 137
GLY A 283
ALA A 281
THR A 287
 None
 1.20A 6hwdV-1csjA:
undetectable
6hwdb-1csjA:
undetectable		 6hwdV-1csjA:
11.23
6hwdb-1csjA:
12.30
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.
1dkg NUCLEOTIDE EXCHANGE
FACTOR GRPE

(Escherichia
coli) 		PF01025
(GrpE) 		5 SER A 162
THR A 191
THR A 145
GLY A 168
ALA A 193
 None
 1.21A 6hwdV-1dkgA:
undetectable
6hwdb-1dkgA:
undetectable		 6hwdV-1dkgA:
15.98
6hwdb-1dkgA:
20.11
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.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 THR A 959
THR A 961
GLY A 974
ALA A 955
THR A 954
 None
 1.26A 6hwdV-1efyA:
undetectable
6hwdb-1efyA:
undetectable		 6hwdV-1efyA:
12.43
6hwdb-1efyA:
13.65
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.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		5 THR A 226
ALA A 183
ARG A  20
GLY A  18
ALA A 158
 None
 1.22A 6hwdV-1eltA:
undetectable
6hwdb-1eltA:
undetectable		 6hwdV-1eltA:
15.35
6hwdb-1eltA:
14.35
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		5 THR A 258
THR A 256
ALA A 260
GLY A 212
ALA A 207
 None
 1.06A 6hwdV-1f7cA:
undetectable
6hwdb-1f7cA:
undetectable		 6hwdV-1f7cA:
17.33
6hwdb-1f7cA:
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.37A 6hwdV-1j2qH:
29.7
6hwdb-1j2qH:
28.9		 6hwdV-1j2qH:
19.29
6hwdb-1j2qH:
18.13
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 334
THR A 333
THR A 332
GLY A 309
ALA A 375
 FAD  A 701 (-2.8A)
None
None
FAD  A 701 (-3.4A)
FAD  A 701 (-3.8A)
 1.03A 6hwdV-1jscA:
undetectable
6hwdb-1jscA:
undetectable		 6hwdV-1jscA:
10.96
6hwdb-1jscA:
10.95
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 582
THR A 583
THR A 394
ALA A 584
GLY A 398
 None
 1.16A 6hwdV-1kcwA:
undetectable
6hwdb-1kcwA:
undetectable		 6hwdV-1kcwA:
6.28
6hwdb-1kcwA:
5.69
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR A 403
THR A 404
THR A 405
ALA A 223
GLY A 433
 None
 0.89A 6hwdV-1kqfA:
undetectable
6hwdb-1kqfA:
undetectable		 6hwdV-1kqfA:
5.61
6hwdb-1kqfA:
6.27
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 HIS A 132
THR A 157
ARG A 197
GLY A 172
THR A 185
 None
 1.10A 6hwdV-1lrwA:
undetectable
6hwdb-1lrwA:
undetectable		 6hwdV-1lrwA:
8.96
6hwdb-1lrwA:
7.75
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER A 312
THR A  85
THR A  86
ALA A  80
THR A 309
 None
 1.24A 6hwdV-1nfgA:
undetectable
6hwdb-1nfgA:
undetectable		 6hwdV-1nfgA:
15.71
6hwdb-1nfgA:
12.59
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.52A 6hwdV-1q5qH:
25.7
6hwdb-1q5qH:
27.1		 6hwdV-1q5qH:
19.48
6hwdb-1q5qH:
17.45
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.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT
ACTIVATOR 1 37 KDA
SUBUNIT

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 THR A 360
THR A 361
ALA A 363
ARG B 128
GLY A 356
 MG  A 811 ( 2.9A)
AGS  A 801 (-3.7A)
None
AGS  A 801 (-3.6A)
AGS  A 801 (-3.5A)
 1.23A 6hwdV-1sxjA:
undetectable
6hwdb-1sxjA:
undetectable		 6hwdV-1sxjA:
9.77
6hwdb-1sxjA:
10.43
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		5 HIS A1296
SER A1312
THR A1117
ALA A1118
ALA A1316
 None
 1.24A 6hwdV-1yxoA:
undetectable
6hwdb-1yxoA:
undetectable		 6hwdV-1yxoA:
17.22
6hwdb-1yxoA:
13.19
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 THR A 109
THR A  97
ALA A  94
ALA A 116
THR A 123
 None
 1.25A 6hwdV-1zefA:
undetectable
6hwdb-1zefA:
undetectable		 6hwdV-1zefA:
11.24
6hwdb-1zefA:
10.28
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.
2bcm F1845 FIMBRIAL
PROTEIN

(Escherichia
coli) 		no annotation 5 SER B  91
ALA B  56
GLY B 113
ALA B  87
THR B  88
 None
 1.24A 6hwdV-2bcmB:
undetectable
6hwdb-2bcmB:
undetectable		 6hwdV-2bcmB:
20.26
6hwdb-2bcmB:
23.68
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 THR A 141
THR A 145
ALA A 148
GLY A 246
ALA A  73
 None
 1.11A 6hwdV-2cfzA:
undetectable
6hwdb-2cfzA:
undetectable		 6hwdV-2cfzA:
8.35
6hwdb-2cfzA:
7.47
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.
2crn UBASH3A PROTEIN

(Homo sapiens) 		PF00627
(UBA) 		5 HIS A  48
THR A  37
THR A  33
ALA A  32
ALA A  43
 None
 1.10A 6hwdV-2crnA:
undetectable
6hwdb-2crnA:
undetectable		 6hwdV-2crnA:
21.05
6hwdb-2crnA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d81 PHB DEPOLYMERASE

(Talaromyces
funiculosus) 		PF10503
(Esterase_phd) 		5 HIS A 155
SER A 172
THR A 117
ALA A  64
GLY A 152
 RB3  A 451 ( 4.6A)
None
None
None
None
 1.23A 6hwdV-2d81A:
undetectable
6hwdb-2d81A:
undetectable		 6hwdV-2d81A:
14.20
6hwdb-2d81A:
14.29
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		5 SER A 205
THR A 510
THR A 502
ALA A 211
ALA A 197
 None
 1.09A 6hwdV-2f5uA:
undetectable
6hwdb-2f5uA:
undetectable		 6hwdV-2f5uA:
10.74
6hwdb-2f5uA:
10.27
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.56A 6hwdV-2fhgH:
25.0
6hwdb-2fhgH:
25.9		 6hwdV-2fhgH:
25.73
6hwdb-2fhgH:
18.64
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.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 THR A1028
THR A1027
THR A1056
GLY A1155
ALA A1170
 None
 1.20A 6hwdV-2iphA:
undetectable
6hwdb-2iphA:
undetectable		 6hwdV-2iphA:
18.89
6hwdb-2iphA:
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.
2jet CHYMOTRYPSINOGEN B
CHAIN B
CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus;
Rattus
norvegicus) 		PF00089
(Trypsin)
PF00089
(Trypsin) 		5 SER C 217
THR B 138
THR B 139
ALA C 158
GLY C 196
 None
 1.19A 6hwdV-2jetC:
undetectable
6hwdb-2jetC:
undetectable		 6hwdV-2jetC:
22.86
6hwdb-2jetC:
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 THR A 155
THR A 154
ALA A 156
GLY A 240
ALA A 238
 None
 0.88A 6hwdV-2xtsA:
undetectable
6hwdb-2xtsA:
undetectable		 6hwdV-2xtsA:
10.99
6hwdb-2xtsA:
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.
2zon CYTOCHROME C551

(Achromobacter
xylosoxidans) 		PF13442
(Cytochrome_CBB3) 		5 SER G  18
THR G  74
ALA G  78
GLY G  67
ALA G  19
 None
None
HEM  G 200 ( 3.9A)
None
None
 1.22A 6hwdV-2zonG:
undetectable
6hwdb-2zonG:
undetectable		 6hwdV-2zonG:
21.78
6hwdb-2zonG:
22.34
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 THR A 281
THR A 282
ALA A 280
GLY A 247
THR A 195
 None
 0.79A 6hwdV-3alfA:
undetectable
6hwdb-3alfA:
undetectable		 6hwdV-3alfA:
11.43
6hwdb-3alfA:
15.36
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 THR A 197
THR A 195
ALA A 199
GLY A 220
ALA A 175
 None
 1.10A 6hwdV-3anvA:
undetectable
6hwdb-3anvA:
undetectable		 6hwdV-3anvA:
13.30
6hwdb-3anvA:
15.52
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 SER A 214
THR A 231
THR A 233
THR A 234
THR A 235
 None
None
FMN  A 301 (-4.4A)
FMN  A 301 (-4.5A)
FMN  A 301 (-3.6A)
 1.12A 6hwdV-3gh8A:
undetectable
6hwdb-3gh8A:
undetectable		 6hwdV-3gh8A:
14.23
6hwdb-3gh8A:
14.63
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.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		5 THR B 187
THR B 186
ALA B 185
GLY B   7
ALA B 298
 None
 1.21A 6hwdV-3hrdB:
undetectable
6hwdb-3hrdB:
undetectable		 6hwdV-3hrdB:
14.33
6hwdb-3hrdB:
14.94
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.
3k85 D-GLYCERO-D-MANNO-HE
PTOSE 1-PHOSPHATE
KINASE

(Bacteroides
thetaiotaomicron) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 THR A 139
ALA A 143
GLY A 166
ALA A 163
THR A  35
 None
 1.25A 6hwdV-3k85A:
undetectable
6hwdb-3k85A:
undetectable		 6hwdV-3k85A:
13.79
6hwdb-3k85A:
13.56
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.
3k85 D-GLYCERO-D-MANNO-HE
PTOSE 1-PHOSPHATE
KINASE

(Bacteroides
thetaiotaomicron) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 THR A 139
ALA A 143
GLY A 334
ALA A 163
THR A  35
 None
 1.07A 6hwdV-3k85A:
undetectable
6hwdb-3k85A:
undetectable		 6hwdV-3k85A:
13.79
6hwdb-3k85A:
13.56
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.
3la9 HAEMAGGLUTININ
FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 THR A  55
THR A  45
THR A  46
ALA A  54
GLY A  28
 None
 1.20A 6hwdV-3la9A:
undetectable
6hwdb-3la9A:
undetectable		 6hwdV-3la9A:
20.13
6hwdb-3la9A:
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.
3ln7 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Pasteurella
multocida) 		PF02655
(ATP-grasp_3)
PF04262
(Glu_cys_ligase) 		5 SER A 483
THR A 476
GLY A 585
ALA A 696
THR A 691
 None
 1.01A 6hwdV-3ln7A:
undetectable
6hwdb-3ln7A:
undetectable		 6hwdV-3ln7A:
8.39
6hwdb-3ln7A:
7.66
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.
3lr1 TUNGSTATE ABC
TRANSPORTER,
PERIPLASMIC
TUNGSTATE-BINDING
PROTEIN

(Geobacter
sulfurreducens) 		PF12849
(PBP_like_2) 		5 THR A   9
THR A   8
ALA A  43
ARG A 118
THR A 124
 W  A 234 ( 4.0A)
None
None
W  A 234 ( 3.9A)
None
 1.17A 6hwdV-3lr1A:
undetectable
6hwdb-3lr1A:
undetectable		 6hwdV-3lr1A:
18.94
6hwdb-3lr1A:
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 THR A 116
ALA A 131
GLY A 124
ALA A 151
THR A 388
 None
 1.16A 6hwdV-3m6xA:
undetectable
6hwdb-3m6xA:
undetectable		 6hwdV-3m6xA:
10.18
6hwdb-3m6xA:
10.48
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 10 THR N   1
THR N  20
THR N  21
THR N  22
ALA N  27
LYS N  33
ARG N  45
GLY N  47
ALA N  49
THR N  52
 None
 0.50A 6hwdV-3mg6N:
29.4
6hwdb-3mg6N:
38.6		 6hwdV-3mg6N:
20.92
6hwdb-3mg6N:
100.00
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.
3o9p PERIPLASMIC MUREIN
PEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 HIS A 314
THR A 270
ALA A 312
GLY A 416
THR A 423
 ZN  A 519 (-3.3A)
None
None
None
None
 1.24A 6hwdV-3o9pA:
undetectable
6hwdb-3o9pA:
undetectable		 6hwdV-3o9pA:
11.58
6hwdb-3o9pA:
11.15
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 THR B  45
THR B  21
THR B 135
ALA B  24
GLY B  40
 None
 1.23A 6hwdV-3pdiB:
undetectable
6hwdb-3pdiB:
undetectable		 6hwdV-3pdiB:
13.21
6hwdb-3pdiB:
13.05
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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		5 SER A 835
ALA A 959
GLY A 825
ALA A 837
THR A 827
 None
 1.07A 6hwdV-3ptyA:
undetectable
6hwdb-3ptyA:
undetectable		 6hwdV-3ptyA:
11.03
6hwdb-3ptyA:
13.27
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.
3q2h A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 1

(Homo sapiens) 		PF01421
(Reprolysin) 		5 THR A 117
THR A 146
THR A 147
ALA A 143
THR A  76
 QHF  A   1 ( 4.0A)
QHF  A   1 (-4.4A)
None
None
None
 1.25A 6hwdV-3q2hA:
undetectable
6hwdb-3q2hA:
undetectable		 6hwdV-3q2hA:
14.14
6hwdb-3q2hA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.58A 6hwdV-3unfH:
35.6
6hwdb-3unfH:
31.0		 6hwdV-3unfH:
37.01
6hwdb-3unfH:
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.67A 6hwdV-3wxrL:
28.8
6hwdb-3wxrL:
28.7		 6hwdV-3wxrL:
21.43
6hwdb-3wxrL:
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
THR L  21
ALA L  27
LYS L  33
ALA L  49
 None
 0.73A 6hwdV-3wxrL:
28.8
6hwdb-3wxrL:
28.7		 6hwdV-3wxrL:
21.43
6hwdb-3wxrL:
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 SER A  65
THR A 385
THR A 326
ALA A 376
ALA A  66
 None
 1.21A 6hwdV-3zzuA:
undetectable
6hwdb-3zzuA:
undetectable		 6hwdV-3zzuA:
8.90
6hwdb-3zzuA:
9.53
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.
4a2b CELL DIVISION
PROTEIN FTSA,
PUTATIVE

(Thermotoga
maritima) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 THR A 335
THR A 358
ALA A 339
GLY A 197
ALA A 382
 None
 1.16A 6hwdV-4a2bA:
undetectable
6hwdb-4a2bA:
undetectable		 6hwdV-4a2bA:
11.47
6hwdb-4a2bA:
11.49
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 THR A 273
THR A 272
THR A 271
ALA A 276
THR A  94
 None
 1.02A 6hwdV-4b90A:
undetectable
6hwdb-4b90A:
undetectable		 6hwdV-4b90A:
11.52
6hwdb-4b90A:
10.72
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 THR A 273
THR A 272
THR A 271
ALA A 276
THR A  94
 None
 1.04A 6hwdV-4b92A:
undetectable
6hwdb-4b92A:
undetectable		 6hwdV-4b92A:
12.94
6hwdb-4b92A:
11.69
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		5 HIS A 585
THR A 535
THR A 536
GLY A  29
ALA A 581
 MG  A1005 (-3.7A)
NFU  A1004 (-3.7A)
None
None
None
 1.22A 6hwdV-4c3oA:
undetectable
6hwdb-4c3oA:
undetectable		 6hwdV-4c3oA:
10.17
6hwdb-4c3oA:
11.19
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 THR A  33
THR A 158
THR A 159
ALA A 200
GLY A 135
 None
 0.85A 6hwdV-4dqxA:
undetectable
6hwdb-4dqxA:
undetectable		 6hwdV-4dqxA:
14.45
6hwdb-4dqxA:
17.79
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.
4gos V-SET
DOMAIN-CONTAINING
T-CELL ACTIVATION
INHIBITOR 1

(Homo sapiens) 		PF07686
(V-set) 		5 THR A  40
THR A  41
ALA A 141
GLY A 111
ALA A 113
 None
 1.21A 6hwdV-4gosA:
undetectable
6hwdb-4gosA:
undetectable		 6hwdV-4gosA:
20.00
6hwdb-4gosA:
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.67A 6hwdV-4ho7A:
21.3
6hwdb-4ho7A:
20.4		 6hwdV-4ho7A:
19.19
6hwdb-4ho7A:
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.
4ibn RIBONUCLEASE H

(uncultured
organism) 		PF00075
(RNase_H) 		5 HIS A 152
THR A  95
THR A  94
GLY A  39
ALA A 158
 None
 1.17A 6hwdV-4ibnA:
undetectable
6hwdb-4ibnA:
undetectable		 6hwdV-4ibnA:
20.10
6hwdb-4ibnA:
20.29
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.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		5 THR A  95
THR A 147
ALA A 175
GLY A 143
ALA A  92
 None
 1.17A 6hwdV-4josA:
undetectable
6hwdb-4josA:
undetectable		 6hwdV-4josA:
15.85
6hwdb-4josA:
15.90
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 THR A  27
ALA A  29
GLY A 585
ALA A 331
THR A 337
 None
None
FDA  A 801 (-3.4A)
None
None
 1.18A 6hwdV-4mifA:
undetectable
6hwdb-4mifA:
undetectable		 6hwdV-4mifA:
8.76
6hwdb-4mifA:
9.09
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 THR A  87
THR A  89
ALA A  85
ARG A 175
GLY A  79
 None
 1.22A 6hwdV-4ng3A:
undetectable
6hwdb-4ng3A:
undetectable		 6hwdV-4ng3A:
16.01
6hwdb-4ng3A:
13.64
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.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 THR A 208
THR A 118
THR A 151
ARG A 282
GLY A 210
 BCN  A 401 (-3.5A)
BCN  A 401 (-3.2A)
None
BCN  A 401 ( 4.8A)
BCN  A 401 (-3.6A)
 1.21A 6hwdV-4oqqA:
undetectable
6hwdb-4oqqA:
undetectable		 6hwdV-4oqqA:
15.83
6hwdb-4oqqA:
13.95
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.59A 6hwdV-4qv9K:
29.1
6hwdb-4qv9K:
28.8		 6hwdV-4qv9K:
21.43
6hwdb-4qv9K:
19.88
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.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 SER A 196
THR A  91
THR A  92
ALA A 214
THR A  71
 None
SO4  A 302 ( 3.0A)
None
None
None
 1.06A 6hwdV-4r2wA:
undetectable
6hwdb-4r2wA:
undetectable		 6hwdV-4r2wA:
20.75
6hwdb-4r2wA:
17.84
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 HIS B 160
THR B 185
ARG B 225
GLY B 200
THR B 213
 None
 1.10A 6hwdV-4tqoB:
undetectable
6hwdb-4tqoB:
undetectable		 6hwdV-4tqoB:
9.72
6hwdb-4tqoB:
8.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tsk KETOL-ACID
REDUCTOISOMERASE

(Alicyclobacillus
acidocaldarius) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 THR A 180
THR A 181
ALA A 151
GLY A 177
ALA A 148
 None
 0.81A 6hwdV-4tskA:
undetectable
6hwdb-4tskA:
undetectable		 6hwdV-4tskA:
13.82
6hwdb-4tskA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 HIS A  23
THR A 140
THR A 184
THR A 183
ALA A  17
 None
 1.21A 6hwdV-4tx1A:
undetectable
6hwdb-4tx1A:
undetectable		 6hwdV-4tx1A:
13.45
6hwdb-4tx1A:
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.
4u8h CRYPTOCHROME-2
PERIOD CIRCADIAN
PROTEIN HOMOLOG 2

(Mus musculus;
Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
PF12114
(Period_C) 		5 THR A 353
THR B1145
ALA B1143
GLY A 351
ALA A 349
 None
 1.09A 6hwdV-4u8hA:
undetectable
6hwdb-4u8hA:
undetectable		 6hwdV-4u8hA:
10.66
6hwdb-4u8hA:
8.43
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 SER A 460
THR A 417
THR A 416
THR A 415
ALA A 399
 NA  A 601 ( 4.4A)
NA  A 601 ( 4.7A)
None
None
None
 0.83A 6hwdV-4y23A:
undetectable
6hwdb-4y23A:
undetectable		 6hwdV-4y23A:
10.02
6hwdb-4y23A:
9.73
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 THR A 417
THR A 416
THR A 415
ALA A 399
GLY A 145
 NA  A 601 ( 4.7A)
None
None
None
None
 1.14A 6hwdV-4y23A:
undetectable
6hwdb-4y23A:
undetectable		 6hwdV-4y23A:
10.02
6hwdb-4y23A:
9.73
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A 214
THR A 216
THR A 217
ARG A 501
THR A 502
 None
 1.11A 6hwdV-5az4A:
undetectable
6hwdb-5az4A:
undetectable		 6hwdV-5az4A:
7.93
6hwdb-5az4A:
8.94
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.
5d2j 4-OXALOCROTONATE
DECARBOXYLASE NAHK

(Pseudomonas
putida) 		no annotation 5 SER A  69
THR A 238
ALA A 239
GLY A 201
ALA A 203
 None
 1.20A 6hwdV-5d2jA:
undetectable
6hwdb-5d2jA:
undetectable		 6hwdV-5d2jA:
15.85
6hwdb-5d2jA:
12.93
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.
5dql ISOCITRATE LYASE 1

(Mycobacterium
tuberculosis) 		PF00463
(ICL) 		5 THR A  27
THR A 210
THR A 208
ALA A 212
ALA A 279
 None
None
None
None
MG  A 502 (-4.8A)
 1.19A 6hwdV-5dqlA:
undetectable
6hwdb-5dqlA:
undetectable		 6hwdV-5dqlA:
11.96
6hwdb-5dqlA:
10.05
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 THR A 188
THR A  66
THR A  65
ALA A  92
ALA A  68
 None
 1.02A 6hwdV-5e7pA:
undetectable
6hwdb-5e7pA:
undetectable		 6hwdV-5e7pA:
7.84
6hwdb-5e7pA:
8.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 SER B 298
THR B 162
ALA B 265
GLY B 108
ALA B 299
 None
 1.22A 6hwdV-5ey5B:
undetectable
6hwdb-5ey5B:
undetectable		 6hwdV-5ey5B:
14.24
6hwdb-5ey5B:
12.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
THR H  52
 None
 0.43A 6hwdV-5fg9H:
37.1
6hwdb-5fg9H:
28.0		 6hwdV-5fg9H:
94.05
6hwdb-5fg9H:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.90A 6hwdV-5fmgI:
30.2
6hwdb-5fmgI:
28.4		 6hwdV-5fmgI:
37.80
6hwdb-5fmgI:
17.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
THR I  21
ALA I  27
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.52A 6hwdV-5fmgI:
30.2
6hwdb-5fmgI:
28.4		 6hwdV-5fmgI:
37.80
6hwdb-5fmgI:
17.03
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 HIS A 259
SER A 296
THR A 184
ALA A 141
GLY A 440
 None
 1.22A 6hwdV-5kcaA:
undetectable
6hwdb-5kcaA:
undetectable		 6hwdV-5kcaA:
9.55
6hwdb-5kcaA:
6.91
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 HIS A 401
SER A 438
THR A 326
ALA A 283
GLY A 156
 None
 1.19A 6hwdV-5kcaA:
undetectable
6hwdb-5kcaA:
undetectable		 6hwdV-5kcaA:
9.55
6hwdb-5kcaA:
6.91
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 1.04A 6hwdV-5keiA:
undetectable
6hwdb-5keiA:
undetectable		 6hwdV-5keiA:
11.56
6hwdb-5keiA:
9.39
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.80A 6hwdV-5l5wK:
29.1
6hwdb-5l5wK:
28.7		 6hwdV-5l5wK:
22.88
6hwdb-5l5wK:
23.53
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 SER A 198
THR A  93
THR A  94
ALA A 216
THR A  73
 None
SO4  A 301 ( 2.9A)
None
None
None
 1.11A 6hwdV-5lhvA:
undetectable
6hwdb-5lhvA:
undetectable		 6hwdV-5lhvA:
18.00
6hwdb-5lhvA:
19.66
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.
5los PIIN_05872

(Serendipita
indica) 		no annotation 5 THR A  32
THR A  33
ALA A  35
GLY A  26
ALA A  28
 None
 1.23A 6hwdV-5losA:
undetectable
6hwdb-5losA:
undetectable		 6hwdV-5losA:
21.11
6hwdb-5losA:
18.39
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.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 THR A  23
ALA A  19
ARG A 317
ALA A 234
THR A 238
 None
 1.07A 6hwdV-5mjsA:
undetectable
6hwdb-5mjsA:
undetectable		 6hwdV-5mjsA:
23.96
6hwdb-5mjsA:
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 SER A 108
THR A  44
THR A  70
ALA A  46
ARG A 114
 None
 1.22A 6hwdV-5nlmA:
undetectable
6hwdb-5nlmA:
undetectable		 6hwdV-5nlmA:
23.53
6hwdb-5nlmA:
18.82
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		6 THR A   1
THR A  20
ALA A  28
LYS A  32
GLY A  50
THR A  55
 None
 1.14A 6hwdV-5nyjA:
5.8
6hwdb-5nyjA:
21.6		 6hwdV-5nyjA:
15.52
6hwdb-5nyjA:
14.41
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.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 THR A   1
THR A  20
LYS A  37
GLY A  50
ALA A  52
 PO4  A 301 ( 4.5A)
None
None
PO4  A 301 (-4.1A)
None
 0.39A 6hwdV-5ovtA:
19.6
6hwdb-5ovtA:
4.0		 6hwdV-5ovtA:
26.51
6hwdb-5ovtA:
28.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR O   1
LYS O  33
GLY O  47
ALA O  49
THR O  52
 None
 1.01A 6hwdV-5t0hO:
29.9
6hwdb-5t0hO:
27.5		 6hwdV-5t0hO:
47.27
6hwdb-5t0hO:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvl FOLDASE PROTEIN PRSA

(Streptococcus
pneumoniae) 		PF13145
(Rotamase_2) 		5 SER A 172
THR A 237
ALA A 113
ALA A 173
THR A 175
 None
 1.25A 6hwdV-5tvlA:
undetectable
6hwdb-5tvlA:
undetectable		 6hwdV-5tvlA:
11.27
6hwdb-5tvlA:
15.27
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 SER A 319
THR A 286
THR A 287
THR A 288
ALA A 317
 None
EDO  A 818 (-4.2A)
None
EDO  A 818 (-4.1A)
None
 0.99A 6hwdV-5v1wA:
undetectable
6hwdb-5v1wA:
undetectable		 6hwdV-5v1wA:
8.06
6hwdb-5v1wA:
7.93
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 THR R   1
THR R  21
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.67A 6hwdV-5vfrR:
27.6
6hwdb-5vfrR:
27.9		 6hwdV-5vfrR:
undetectable
6hwdb-5vfrR:
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.
5vh6 ELONGATION FACTOR G

(Bacillus
subtilis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 SER A  65
THR A 384
THR A 325
ALA A 375
ALA A  66
 None
 1.10A 6hwdV-5vh6A:
undetectable
6hwdb-5vh6A:
undetectable		 6hwdV-5vh6A:
13.52
6hwdb-5vh6A:
10.20
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		5 HIS A 250
SER A 281
THR A 336
THR A 318
GLY A 315
 None
 1.21A 6hwdV-5x62A:
undetectable
6hwdb-5x62A:
undetectable		 6hwdV-5x62A:
11.23
6hwdb-5x62A:
11.25
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 HIS A 163
THR A 188
ARG A 228
GLY A 203
THR A 216
 None
 1.05A 6hwdV-5xm3A:
undetectable
6hwdb-5xm3A:
undetectable		 6hwdV-5xm3A:
16.67
6hwdb-5xm3A:
25.00
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 SER A  26
THR A  90
THR A 105
ALA A 108
THR A  60
 None
 1.13A 6hwdV-5xqoA:
undetectable
6hwdb-5xqoA:
undetectable		 6hwdV-5xqoA:
16.67
6hwdb-5xqoA:
25.00
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 THR A  86
THR A  87
ALA A  70
GLY A 102
ALA A 116
 None
 1.24A 6hwdV-6arrA:
undetectable
6hwdb-6arrA:
undetectable		 6hwdV-6arrA:
21.95
6hwdb-6arrA:
23.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B   1
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.72A 6hwdV-6avoB:
21.8
6hwdb-6avoB:
21.4		 6hwdV-6avoB:
52.50
6hwdb-6avoB:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.62A 6hwdV-6avoB:
21.8
6hwdb-6avoB:
21.4		 6hwdV-6avoB:
52.50
6hwdb-6avoB:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-9
PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 HIS B 114
SER B 118
THR A   1
LYS A  33
GLY A  47
ALA A  49
 None
 0.56A 6hwdV-6avoB:
21.8
6hwdb-6avoB:
21.4		 6hwdV-6avoB:
52.50
6hwdb-6avoB:
33.75
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT 1

(Saccharomyces
cerevisiae) 		no annotation 5 HIS 1 226
THR 1 258
ALA 1  45
GLY 1 331
ALA 1 261
 None
 1.25A 6hwdV-6c261:
undetectable
6hwdb-6c261:
undetectable		 6hwdV-6c261:
22.47
6hwdb-6c261:
21.43
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  80
THR A  84
GLY A  51
ALA A  57
THR A  60
 FAD  A 701 ( 4.3A)
None
FAD  A 701 ( 4.9A)
None
None
 1.20A 6hwdV-6fnuA:
undetectable
6hwdb-6fnuA:
undetectable		 6hwdV-6fnuA:
20.00
6hwdb-6fnuA:
20.48
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 5 THR A 266
THR A  81
ALA A  80
GLY A  85
ALA A 162
 None
 1.17A 6hwdV-6frlA:
undetectable
6hwdb-6frlA:
undetectable		 6hwdV-6frlA:
24.72
6hwdb-6frlA:
19.05
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 404
THR L 275
THR L 276
ALA L 282
THR L 412
 None
 1.23A 6hwdV-6g2jL:
undetectable
6hwdb-6g2jL:
undetectable		 6hwdV-6g2jL:
18.89
6hwdb-6g2jL:
19.51
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 THR A 144
ALA A 148
GLY A 137
ALA A 158
THR A 160
 None
None
SAH  A 501 (-3.5A)
None
SAH  A 501 ( 4.8A)
 1.24A 6hwdV-6gkvA:
undetectable
6hwdb-6gkvA:
undetectable		 6hwdV-6gkvA:
23.53
6hwdb-6gkvA:
20.48