SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVN_B_BO2B201_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.
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 4qvnV-1cemA:
undetectable
4qvnb-1cemA:
undetectable		 4qvnV-1cemA:
18.97
4qvnb-1cemA:
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.
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
 1.19A 4qvnV-1csjA:
undetectable
4qvnb-1csjA:
undetectable		 4qvnV-1csjA:
18.79
4qvnb-1csjA:
16.26
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.
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 4qvnV-1dkgA:
undetectable
4qvnb-1dkgA:
undetectable		 4qvnV-1dkgA:
19.58
4qvnb-1dkgA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		5 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.24A 4qvnV-1e3dB:
undetectable
4qvnb-1e3dB:
undetectable		 4qvnV-1e3dB:
18.77
4qvnb-1e3dB:
17.27
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.
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
 1.24A 4qvnV-1efyA:
undetectable
4qvnb-1efyA:
undetectable		 4qvnV-1efyA:
20.66
4qvnb-1efyA:
21.01
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.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		5 THR A 226
ALA A 183
ARG A  20
GLY A  18
ALA A 158
 None
 1.23A 4qvnV-1eltA:
undetectable
4qvnb-1eltA:
undetectable		 4qvnV-1eltA:
19.26
4qvnb-1eltA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 227
THR A 191
ALA A 195
GLY A 221
ALA A 295
 None
SO4  A 602 (-2.8A)
None
None
None
 1.10A 4qvnV-1euzA:
undetectable
4qvnb-1euzA:
undetectable		 4qvnV-1euzA:
20.09
4qvnb-1euzA:
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		5 THR A 258
THR A 256
ALA A 260
ALA A 207
THR A 210
 None
 1.26A 4qvnV-1f7cA:
undetectable
4qvnb-1f7cA:
undetectable		 4qvnV-1f7cA:
22.47
4qvnb-1f7cA:
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		5 THR A 258
THR A 256
ALA A 260
GLY A 212
ALA A 207
 None
 1.02A 4qvnV-1f7cA:
undetectable
4qvnb-1f7cA:
undetectable		 4qvnV-1f7cA:
22.47
4qvnb-1f7cA:
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.
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 4qvnV-1j2qH:
29.7
4qvnb-1j2qH:
28.9		 4qvnV-1j2qH:
29.22
4qvnb-1j2qH:
28.00
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.
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
 1.15A 4qvnV-1kcwA:
undetectable
4qvnb-1kcwA:
undetectable		 4qvnV-1kcwA:
12.54
4qvnb-1kcwA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvnV-1kqfA:
undetectable
4qvnb-1kqfA:
undetectable		 4qvnV-1kqfA:
13.29
4qvnb-1kqfA:
11.71
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.
1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		5 SER A 169
THR A  87
ALA A  85
GLY A  90
THR A 227
 None
 1.23A 4qvnV-1ledA:
undetectable
4qvnb-1ledA:
undetectable		 4qvnV-1ledA:
23.53
4qvnb-1ledA:
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.
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
 1.20A 4qvnV-1nfgA:
undetectable
4qvnb-1nfgA:
undetectable		 4qvnV-1nfgA:
20.80
4qvnb-1nfgA:
19.13
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.
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
 0.54A 4qvnV-1q5qH:
25.7
4qvnb-1q5qH:
27.0		 4qvnV-1q5qH:
26.48
4qvnb-1q5qH:
30.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
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)
 1.20A 4qvnV-1sxjA:
undetectable
4qvnb-1sxjA:
undetectable		 4qvnV-1sxjA:
16.25
4qvnb-1sxjA:
15.79
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.
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
 1.25A 4qvnV-2bcmB:
undetectable
4qvnb-2bcmB:
undetectable		 4qvnV-2bcmB:
21.61
4qvnb-2bcmB:
23.15
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.
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
 1.13A 4qvnV-2cfzA:
undetectable
4qvnb-2cfzA:
undetectable		 4qvnV-2cfzA:
17.48
4qvnb-2cfzA:
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.
2crn UBASH3A PROTEIN

(Homo sapiens) 		PF00627
(UBA) 		5 HIS A  48
THR A  37
THR A  33
ALA A  32
ALA A  43
 None
 1.09A 4qvnV-2crnA:
undetectable
4qvnb-2crnA:
undetectable		 4qvnV-2crnA:
15.20
4qvnb-2crnA:
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.
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
 1.24A 4qvnV-2d81A:
undetectable
4qvnb-2d81A:
undetectable		 4qvnV-2d81A:
22.22
4qvnb-2d81A:
21.71
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.
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
 1.08A 4qvnV-2f5uA:
undetectable
4qvnb-2f5uA:
undetectable		 4qvnV-2f5uA:
19.25
4qvnb-2f5uA:
20.05
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.
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
 0.57A 4qvnV-2fhgH:
25.1
4qvnb-2fhgH:
25.8		 4qvnV-2fhgH:
26.85
4qvnb-2fhgH:
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.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 THR A1028
THR A1027
THR A1056
GLY A1155
ALA A1170
 None
 1.20A 4qvnV-2iphA:
undetectable
4qvnb-2iphA:
undetectable		 4qvnV-2iphA:
22.76
4qvnb-2iphA:
23.00
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.
2jet CHYMOTRYPSINOGEN B
CHAIN B
CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 SER C 217
THR B 138
THR B 139
ALA C 158
GLY C 196
 None
 1.18A 4qvnV-2jetC:
undetectable
4qvnb-2jetC:
undetectable		 4qvnV-2jetC:
18.97
4qvnb-2jetC:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 4qvnV-2xtsA:
undetectable
4qvnb-2xtsA:
undetectable		 4qvnV-2xtsA:
22.22
4qvnb-2xtsA:
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.
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
 1.25A 4qvnV-2zonG:
undetectable
4qvnb-2zonG:
undetectable		 4qvnV-2zonG:
18.81
4qvnb-2zonG:
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.
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
 0.81A 4qvnV-3alfA:
undetectable
4qvnb-3alfA:
undetectable		 4qvnV-3alfA:
21.61
4qvnb-3alfA:
21.29
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.
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
 1.09A 4qvnV-3anvA:
undetectable
4qvnb-3anvA:
undetectable		 4qvnV-3anvA:
20.11
4qvnb-3anvA:
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 SER A 126
THR A 401
ALA A 397
ARG A 157
THR A 154
 None
GOL  A 506 (-3.6A)
None
GOL  A 506 ( 4.6A)
None
 1.24A 4qvnV-3cz8A:
undetectable
4qvnb-3cz8A:
undetectable		 4qvnV-3cz8A:
20.81
4qvnb-3cz8A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g10 CCR4-NOT COMPLEX
SUBUNIT CAF1

(Schizosaccharomyces
pombe) 		PF04857
(CAF1) 		5 SER A  92
THR A 165
GLY A  88
ALA A  90
THR A 104
 None
 1.23A 4qvnV-3g10A:
undetectable
4qvnb-3g10A:
undetectable		 4qvnV-3g10A:
19.88
4qvnb-3g10A:
19.49
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.
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
 1.23A 4qvnV-3hrdB:
undetectable
4qvnb-3hrdB:
undetectable		 4qvnV-3hrdB:
20.46
4qvnb-3hrdB:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 4qvnV-3k85A:
undetectable
4qvnb-3k85A:
undetectable		 4qvnV-3k85A:
22.86
4qvnb-3k85A:
20.80
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.
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
 1.10A 4qvnV-3k85A:
undetectable
4qvnb-3k85A:
undetectable		 4qvnV-3k85A:
22.86
4qvnb-3k85A:
20.80
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.
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 4qvnV-3la9A:
undetectable
4qvnb-3la9A:
undetectable		 4qvnV-3la9A:
22.50
4qvnb-3la9A:
22.81
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.
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
 1.02A 4qvnV-3ln7A:
undetectable
4qvnb-3ln7A:
undetectable		 4qvnV-3ln7A:
16.05
4qvnb-3ln7A:
14.27
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.
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
 1.15A 4qvnV-3lr1A:
undetectable
4qvnb-3lr1A:
undetectable		 4qvnV-3lr1A:
20.37
4qvnb-3lr1A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.17A 4qvnV-3m6xA:
undetectable
4qvnb-3m6xA:
undetectable		 4qvnV-3m6xA:
18.04
4qvnb-3m6xA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvnV-3mg6N:
29.3
4qvnb-3mg6N:
38.6		 4qvnV-3mg6N:
29.49
4qvnb-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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		5 THR A 233
ALA A 236
GLY A 255
ALA A 253
THR A 288
 None
 1.24A 4qvnV-3qtgA:
undetectable
4qvnb-3qtgA:
undetectable		 4qvnV-3qtgA:
21.15
4qvnb-3qtgA:
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 SER A 147
THR A 121
GLY A 115
ALA A 144
THR A 142
 None
None
GOL  A 487 ( 3.8A)
None
GOL  A 487 (-3.6A)
 1.26A 4qvnV-3uhjA:
undetectable
4qvnb-3uhjA:
undetectable		 4qvnV-3uhjA:
21.54
4qvnb-3uhjA:
20.82
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)
 0.63A 4qvnV-3unfH:
35.7
4qvnb-3unfH:
30.9		 4qvnV-3unfH:
46.78
4qvnb-3unfH:
27.11
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.
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 4qvnV-3wxrL:
28.8
4qvnb-3wxrL:
28.7		 4qvnV-3wxrL:
29.29
4qvnb-3wxrL:
24.20
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.
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
 0.72A 4qvnV-3wxrL:
28.8
4qvnb-3wxrL:
28.7		 4qvnV-3wxrL:
29.29
4qvnb-3wxrL:
24.20
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.
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
 1.17A 4qvnV-3zzuA:
undetectable
4qvnb-3zzuA:
undetectable		 4qvnV-3zzuA:
17.44
4qvnb-3zzuA:
15.80
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.
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
 1.18A 4qvnV-4a2bA:
undetectable
4qvnb-4a2bA:
undetectable		 4qvnV-4a2bA:
21.93
4qvnb-4a2bA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 THR A 406
THR A 407
ARG A 266
GLY A 285
ALA A 283
 None
 1.26A 4qvnV-4ap5A:
undetectable
4qvnb-4ap5A:
undetectable		 4qvnV-4ap5A:
21.39
4qvnb-4ap5A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aui PORIN (PORB)

(Neisseria
gonorrhoeae) 		PF00267
(Porin_1) 		5 SER A 110
THR A  32
ALA A  31
GLY A  11
ALA A  35
 None
 1.23A 4qvnV-4auiA:
undetectable
4qvnb-4auiA:
undetectable		 4qvnV-4auiA:
22.19
4qvnb-4auiA:
21.34
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.
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 4qvnV-4b90A:
undetectable
4qvnb-4b90A:
undetectable		 4qvnV-4b90A:
18.02
4qvnb-4b90A:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 4qvnV-4b92A:
undetectable
4qvnb-4b92A:
undetectable		 4qvnV-4b92A:
19.04
4qvnb-4b92A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.86A 4qvnV-4dqxA:
undetectable
4qvnb-4dqxA:
undetectable		 4qvnV-4dqxA:
20.48
4qvnb-4dqxA:
21.91
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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 THR A  36
THR A  38
THR A  39
THR A  40
ALA A  44
 None
 1.24A 4qvnV-4eyoA:
undetectable
4qvnb-4eyoA:
undetectable		 4qvnV-4eyoA:
20.75
4qvnb-4eyoA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 4qvnV-4gosA:
undetectable
4qvnb-4gosA:
undetectable		 4qvnV-4gosA:
18.64
4qvnb-4gosA:
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.
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 4qvnV-4ho7A:
21.1
4qvnb-4ho7A:
20.3		 4qvnV-4ho7A:
23.27
4qvnb-4ho7A:
28.08
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.
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
 1.20A 4qvnV-4ibnA:
undetectable
4qvnb-4ibnA:
undetectable		 4qvnV-4ibnA:
21.18
4qvnb-4ibnA:
19.20
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 114
THR A 160
GLY A 157
ALA A 110
THR A 107
 None
 1.26A 4qvnV-4itxA:
undetectable
4qvnb-4itxA:
undetectable		 4qvnV-4itxA:
20.42
4qvnb-4itxA:
21.20
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		5 THR A 217
THR A 191
ALA A 195
GLY A 183
THR A 177
 None
 1.21A 4qvnV-4j35A:
undetectable
4qvnb-4j35A:
undetectable		 4qvnV-4j35A:
23.38
4qvnb-4j35A:
21.98
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.
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
 1.22A 4qvnV-4josA:
undetectable
4qvnb-4josA:
undetectable		 4qvnV-4josA:
20.69
4qvnb-4josA:
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.
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
 1.20A 4qvnV-4mifA:
undetectable
4qvnb-4mifA:
undetectable		 4qvnV-4mifA:
16.99
4qvnb-4mifA:
14.08
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.
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
 1.21A 4qvnV-4ng3A:
undetectable
4qvnb-4ng3A:
undetectable		 4qvnV-4ng3A:
22.04
4qvnb-4ng3A:
21.11
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 HIS A 268
SER A 264
THR A 749
GLY A 317
ALA A 319
 None
None
FAD  A 902 (-3.8A)
FAD  A 902 (-3.3A)
None
 1.24A 4qvnV-4qi7A:
undetectable
4qvnb-4qi7A:
undetectable		 4qvnV-4qi7A:
13.68
4qvnb-4qi7A:
13.42
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.
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
 0.58A 4qvnV-4qv9K:
29.2
4qvnb-4qv9K:
28.9		 4qvnV-4qv9K:
29.29
4qvnb-4qv9K:
27.18
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.
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
 1.13A 4qvnV-4r2wA:
undetectable
4qvnb-4r2wA:
undetectable		 4qvnV-4r2wA:
23.02
4qvnb-4r2wA:
23.13
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.
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
 1.09A 4qvnV-4tqoB:
undetectable
4qvnb-4tqoB:
undetectable		 4qvnV-4tqoB:
19.58
4qvnb-4tqoB:
16.75
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.
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 4qvnV-4tskA:
undetectable
4qvnb-4tskA:
undetectable		 4qvnV-4tskA:
18.52
4qvnb-4tskA:
19.39
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.
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
 1.19A 4qvnV-4tx1A:
undetectable
4qvnb-4tx1A:
undetectable		 4qvnV-4tx1A:
20.33
4qvnb-4tx1A:
20.50
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.
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
 0.86A 4qvnV-4y23A:
undetectable
4qvnb-4y23A:
undetectable		 4qvnV-4y23A:
17.44
4qvnb-4y23A:
16.70
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.
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
 1.18A 4qvnV-4y23A:
undetectable
4qvnb-4y23A:
undetectable		 4qvnV-4y23A:
17.44
4qvnb-4y23A:
16.70
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.
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 4qvnV-5az4A:
undetectable
4qvnb-5az4A:
undetectable		 4qvnV-5az4A:
16.17
4qvnb-5az4A:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 4qvnV-5d2jA:
undetectable
4qvnb-5d2jA:
undetectable		 4qvnV-5d2jA:
22.94
4qvnb-5d2jA:
21.35
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.
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)
 1.18A 4qvnV-5dqlA:
undetectable
4qvnb-5dqlA:
undetectable		 4qvnV-5dqlA:
20.57
4qvnb-5dqlA:
18.24
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.
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 4qvnV-5e7pA:
undetectable
4qvnb-5e7pA:
undetectable		 4qvnV-5e7pA:
15.84
4qvnb-5e7pA:
13.26
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
 0.45A 4qvnV-5fg9H:
36.9
4qvnb-5fg9H:
28.0		 4qvnV-5fg9H:
98.31
4qvnb-5fg9H:
29.41
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)
 0.92A 4qvnV-5fmgI:
30.1
4qvnb-5fmgI:
28.3		 4qvnV-5fmgI:
48.94
4qvnb-5fmgI:
27.71
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)
 0.50A 4qvnV-5fmgI:
30.1
4qvnb-5fmgI:
28.3		 4qvnV-5fmgI:
48.94
4qvnb-5fmgI:
27.71
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 5 SER B 354
THR B 348
THR B 349
ALA B 343
GLY B 252
 None
 1.25A 4qvnV-5i61B:
undetectable
4qvnb-5i61B:
undetectable		 4qvnV-5i61B:
17.29
4qvnb-5i61B:
16.93
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.
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
 1.19A 4qvnV-5kcaA:
undetectable
4qvnb-5kcaA:
undetectable		 4qvnV-5kcaA:
14.24
4qvnb-5kcaA:
14.68
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.
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
 1.16A 4qvnV-5kcaA:
undetectable
4qvnb-5kcaA:
undetectable		 4qvnV-5kcaA:
14.24
4qvnb-5kcaA:
14.68
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.
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
 1.02A 4qvnV-5keiA:
undetectable
4qvnb-5keiA:
undetectable		 4qvnV-5keiA:
18.15
4qvnb-5keiA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.80A 4qvnV-5l5wK:
29.1
4qvnb-5l5wK:
28.8		 4qvnV-5l5wK:
29.61
4qvnb-5l5wK:
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.
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
 1.18A 4qvnV-5lhvA:
undetectable
4qvnb-5lhvA:
undetectable		 4qvnV-5lhvA:
20.45
4qvnb-5lhvA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvnV-5losA:
undetectable
4qvnb-5losA:
undetectable		 4qvnV-5losA:
13.21
4qvnb-5losA:
18.12
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.
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 4qvnV-5mjsA:
undetectable
4qvnb-5mjsA:
undetectable		 4qvnV-5mjsA:
17.65
4qvnb-5mjsA:
20.83
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.
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
 1.23A 4qvnV-5nlmA:
undetectable
4qvnb-5nlmA:
undetectable		 4qvnV-5nlmA:
14.54
4qvnb-5nlmA:
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.
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
 1.17A 4qvnV-5nyjA:
5.7
4qvnb-5nyjA:
21.6		 4qvnV-5nyjA:
26.89
4qvnb-5nyjA:
24.15
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.
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
 0.45A 4qvnV-5ovtA:
19.6
4qvnb-5ovtA:
3.9		 4qvnV-5ovtA:
20.34
4qvnb-5ovtA:
22.63
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
 0.98A 4qvnV-5t0hO:
29.8
4qvnb-5t0hO:
27.5		 4qvnV-5t0hO:
56.17
4qvnb-5t0hO:
30.57
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.22A 4qvnV-5tvlA:
undetectable
4qvnb-5tvlA:
undetectable		 4qvnV-5tvlA:
20.71
4qvnb-5tvlA:
22.26
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.
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
 1.01A 4qvnV-5v1wA:
undetectable
4qvnb-5v1wA:
undetectable		 4qvnV-5v1wA:
15.01
4qvnb-5v1wA:
14.20
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.
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
 0.64A 4qvnV-5vfrR:
27.6
4qvnb-5vfrR:
28.0		 4qvnV-5vfrR:
undetectable
4qvnb-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
 1.07A 4qvnV-5vh6A:
undetectable
4qvnb-5vh6A:
undetectable		 4qvnV-5vh6A:
19.71
4qvnb-5vh6A:
19.04
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 HIS A 309
THR A 295
GLY A 301
ALA A 305
THR A 170
 None
 1.17A 4qvnV-5wgcA:
undetectable
4qvnb-5wgcA:
undetectable		 4qvnV-5wgcA:
17.61
4qvnb-5wgcA:
17.19
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.
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 4qvnV-5x62A:
undetectable
4qvnb-5x62A:
undetectable		 4qvnV-5x62A:
18.34
4qvnb-5x62A:
20.05
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 SER A  26
THR A  90
THR A 105
ALA A 108
THR A  60
 None
 1.19A 4qvnV-5xqoA:
undetectable
4qvnb-5xqoA:
undetectable		 4qvnV-5xqoA:
16.52
4qvnb-5xqoA:
21.05
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.
5zov -

(-) 		no annotation 5 THR A 408
THR A 407
GLY A 411
ALA A  92
THR A  88
 None
 1.25A 4qvnV-5zovA:
undetectable
4qvnb-5zovA:
undetectable		 4qvnV-5zovA:
undetectable
4qvnb-5zovA:
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.
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
 1.26A 4qvnV-6arrA:
undetectable
4qvnb-6arrA:
undetectable		 4qvnV-6arrA:
16.23
4qvnb-6arrA:
17.09
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
 0.75A 4qvnV-6avoB:
21.8
4qvnb-6avoB:
21.3		 4qvnV-6avoB:
43.40
4qvnb-6avoB:
21.20
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
 0.67A 4qvnV-6avoB:
21.8
4qvnb-6avoB:
21.3		 4qvnV-6avoB:
43.40
4qvnb-6avoB:
21.20
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
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 6 HIS B 114
SER B 118
THR A   1
LYS A  33
GLY A  47
ALA A  49
 None
 0.56A 4qvnV-6avoB:
21.8
4qvnb-6avoB:
21.3		 4qvnV-6avoB:
43.40
4qvnb-6avoB:
21.20
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.
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
 1.21A 4qvnV-6frlA:
undetectable
4qvnb-6frlA:
undetectable		 4qvnV-6frlA:
16.59
4qvnb-6frlA:
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.
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
 1.20A 4qvnV-6g2jL:
undetectable
4qvnb-6g2jL:
undetectable		 4qvnV-6g2jL:
17.05
4qvnb-6g2jL:
17.02