SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9H_B_NCAB1164

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.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		4 HIS A  21
GLY A  22
TYR A  54
TYR A  65
 APU  A 200 ( 3.3A)
APU  A 200 ( 4.0A)
APU  A 200 ( 4.0A)
APU  A 200 ( 3.6A)
 0.68A 3u9hB-1dtpA:
6.2		 3u9hB-1dtpA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		4 HIS A  21
GLY A  22
TYR A  65
GLU A 148
 APU  A 200 ( 3.3A)
APU  A 200 ( 4.0A)
APU  A 200 ( 3.6A)
None
 0.88A 3u9hB-1dtpA:
6.2		 3u9hB-1dtpA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 468
TYR A 470
ALA A 400
SER A 418
 None
 0.77A 3u9hB-1e8tA:
undetectable		 3u9hB-1e8tA:
21.37
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.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 862
GLY A 863
ALA A 898
LYS A 903
SER A 904
TYR A 907
GLU A 988
 BZC  A 201 (-4.0A)
BZC  A 201 (-3.9A)
BZC  A 201 ( 3.9A)
BZC  A 201 ( 4.8A)
BZC  A 201 (-3.3A)
BZC  A 201 (-3.6A)
BZC  A 201 (-4.0A)
 1.24A 3u9hB-1efyA:
19.0		 3u9hB-1efyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 862
GLY A 863
TYR A 896
ALA A 898
LYS A 903
SER A 904
TYR A 907
 BZC  A 201 (-4.0A)
BZC  A 201 (-3.9A)
BZC  A 201 (-4.0A)
BZC  A 201 ( 3.9A)
BZC  A 201 ( 4.8A)
BZC  A 201 (-3.3A)
BZC  A 201 (-3.6A)
 0.96A 3u9hB-1efyA:
19.0		 3u9hB-1efyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 HIS A 440
GLY A 441
ALA A 472
TYR A 481
GLU A 553
 None
 0.94A 3u9hB-1ikpA:
6.4		 3u9hB-1ikpA:
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 HIS A 440
GLY A 441
TYR A 470
ALA A 472
TYR A 481
 None
 0.40A 3u9hB-1ikpA:
6.4		 3u9hB-1ikpA:
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A  86
TYR A 233
LYS A 238
SER A 237
GLU A 111
 None
 1.46A 3u9hB-1jr1A:
undetectable		 3u9hB-1jr1A:
17.53
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		4 GLY A 273
ALA A 314
SER A 272
TYR A 260
 None
 0.68A 3u9hB-1l1lA:
undetectable		 3u9hB-1l1lA:
14.19
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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 298
TYR A 481
ALA A 507
SER A 301
 None
 0.77A 3u9hB-1o0sA:
undetectable		 3u9hB-1o0sA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o1z GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Thermotoga
maritima) 		PF03009
(GDPD) 		5 GLY A   8
LYS A  12
SER A  10
TYR A   9
GLU A 214
 None
 1.18A 3u9hB-1o1zA:
undetectable		 3u9hB-1o1zA:
22.47
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 GLY A  43
ALA A 387
SER A  41
TYR A  42
 None
 0.73A 3u9hB-1qfxA:
undetectable		 3u9hB-1qfxA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 HIS A 227
GLY A 217
ALA A  89
GLU A 126
 None
None
None
MN  A 301 (-2.5A)
 0.79A 3u9hB-1qotA:
undetectable		 3u9hB-1qotA:
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A  17
GLY A  38
ALA A  88
TYR A  39
 None
None
NAD  A 360 (-3.6A)
None
 0.87A 3u9hB-1rkxA:
undetectable		 3u9hB-1rkxA:
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		4 GLY A  10
TYR A 296
ALA A 292
GLU A 293
 None
 0.76A 3u9hB-1t5jA:
undetectable		 3u9hB-1t5jA:
24.07
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.
1whw HYPOTHETICAL PROTEIN
RIKEN CDNA
1200009A02

(Mus musculus) 		PF00076
(RRM_1) 		4 HIS A  91
GLY A  62
ALA A  95
GLU A  98
 None
 0.86A 3u9hB-1whwA:
undetectable		 3u9hB-1whwA:
18.33
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		4 GLY A 229
TYR A 209
ALA A 164
GLU A 166
 None
None
None
PGA  A 301 (-2.9A)
 0.80A 3u9hB-2btmA:
undetectable		 3u9hB-2btmA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gwg 4-OXALOMESACONATE
HYDRATASE

(Rhodopseudomonas
palustris) 		PF04909
(Amidohydro_2) 		4 GLY A 136
LYS A 130
TYR A 135
GLU A 127
 None
 0.83A 3u9hB-2gwgA:
undetectable		 3u9hB-2gwgA:
20.35
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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		4 GLY A 244
ALA A 275
LYS A 249
GLU A 278
 None
 0.85A 3u9hB-2hj9A:
undetectable		 3u9hB-2hj9A:
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.
2jgq TRIOSEPHOSPHATE
ISOMERASE

(Helicobacter
pylori) 		PF00121
(TIM) 		4 GLY A 214
TYR A 194
ALA A 157
GLU A 159
 None
 0.89A 3u9hB-2jgqA:
undetectable		 3u9hB-2jgqA:
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		4 GLY A 507
ALA A 558
TYR A 506
GLU A 559
 None
 0.81A 3u9hB-2oajA:
undetectable		 3u9hB-2oajA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		4 GLY A 136
LYS A 143
TYR A 135
GLU A  34
 FAD  A 415 (-3.3A)
None
None
None
 0.89A 3u9hB-2ok8A:
undetectable		 3u9hB-2ok8A:
20.12
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.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		4 GLY A 136
SER A 139
TYR A 135
GLU A  34
 FAD  A 415 (-3.3A)
FAD  A 415 (-2.6A)
None
None
 0.85A 3u9hB-2ok8A:
undetectable		 3u9hB-2ok8A:
20.12
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 GLY A  87
ALA A 103
SER A  89
TYR A  90
 SAM  A 300 (-3.2A)
None
None
None
 0.84A 3u9hB-2oxtA:
undetectable		 3u9hB-2oxtA:
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.34A 3u9hB-2pqfA:
20.0		 3u9hB-2pqfA:
28.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 HIS A  36
GLY A  13
ALA A  44
LYS A  16
GLU A  43
 NAP  A1300 (-4.7A)
NAP  A1300 ( 3.9A)
None
NAP  A1300 ( 4.5A)
None
 1.45A 3u9hB-2qhxA:
undetectable		 3u9hB-2qhxA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 219
TYR A 187
ALA A 183
GLU A 184
 None
 0.90A 3u9hB-2qygA:
undetectable		 3u9hB-2qygA:
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.
2w3p BENZOYL-COA-DIHYDROD
IOL LYASE

(Paraburkholderia
xenovorans) 		PF00378
(ECH_1) 		4 GLY A 425
ALA A 437
SER A 434
GLU A 442
 None
 0.75A 3u9hB-2w3pA:
undetectable		 3u9hB-2w3pA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY O  77
TYR O 436
ALA O 431
SER O   7
 None
 0.84A 3u9hB-2zf5O:
undetectable		 3u9hB-2zf5O:
18.53
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.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		4 GLY A 114
ALA A 138
TYR A 113
GLU A 141
 None
 0.87A 3u9hB-3aw9A:
undetectable		 3u9hB-3aw9A:
20.13
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 HIS B 440
GLY B 441
ALA B 472
TYR B 481
GLU B 553
 NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 ( 4.2A)
NAD  B 700 (-3.4A)
NAD  B 700 (-3.5A)
 1.12A 3u9hB-3b78B:
6.0		 3u9hB-3b78B:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 HIS B 440
GLY B 441
TYR B 470
ALA B 472
TYR B 481
 NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 ( 4.2A)
NAD  B 700 (-3.4A)
 0.60A 3u9hB-3b78B:
6.0		 3u9hB-3b78B:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 384
GLY A 385
ALA A 416
LYS A 421
SER A 422
TYR A 425
GLU A 514
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 ( 4.0A)
KU8  A 601 (-4.3A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.5A)
KU8  A 601 (-3.9A)
 0.96A 3u9hB-3c49A:
18.8		 3u9hB-3c49A:
23.24
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.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 384
GLY A 385
TYR A 414
ALA A 416
LYS A 421
SER A 422
TYR A 425
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 (-4.1A)
KU8  A 601 ( 4.0A)
KU8  A 601 (-4.3A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.5A)
 0.67A 3u9hB-3c49A:
18.8		 3u9hB-3c49A:
23.24
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.
3e5b ISOCITRATE LYASE

(Brucella
abortus) 		PF00463
(ICL) 		4 GLY A 360
TYR A 369
ALA A 367
TYR A 361
 None
 0.82A 3u9hB-3e5bA:
undetectable		 3u9hB-3e5bA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 HIS A 116
GLY A 355
ALA A 363
SER A 358
 None
 0.81A 3u9hB-3h5qA:
undetectable		 3u9hB-3h5qA:
20.74
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.
3hkv POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.43A 3u9hB-3hkvA:
19.9		 3u9hB-3hkvA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		4 GLY A 120
ALA A 123
SER A 116
GLU A 112
 None
 0.82A 3u9hB-3i58A:
undetectable		 3u9hB-3i58A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		5 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
 G9L  A   1 (-3.9A)
G9L  A   1 (-3.7A)
G9L  A   1 (-4.5A)
G9L  A   1 (-3.4A)
G9L  A   1 (-3.5A)
 0.43A 3u9hB-3ki6A:
5.7		 3u9hB-3ki6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		4 HIS A 460
GLY A 461
TYR A 504
GLU A 581
 G9L  A   1 (-3.9A)
G9L  A   1 (-3.7A)
G9L  A   1 (-3.5A)
G9L  A   1 (-4.6A)
 0.71A 3u9hB-3ki6A:
5.7		 3u9hB-3ki6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 337
LYS A  21
SER A  22
GLU A 338
 None
 0.78A 3u9hB-3ladA:
undetectable		 3u9hB-3ladA:
17.52
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLY A 333
SER A 334
TYR A 336
GLU A 399
 None
 0.74A 3u9hB-3muoA:
undetectable		 3u9hB-3muoA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
 NAD  A 700 (-3.8A)
NAD  A 700 (-3.7A)
NAD  A 700 ( 3.7A)
NAD  A 700 ( 3.9A)
NAD  A 700 (-3.4A)
 0.54A 3u9hB-3q9oA:
5.6		 3u9hB-3q9oA:
18.07
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		4 HIS A 460
GLY A 461
TYR A 504
GLU A 581
 NAD  A 700 (-3.8A)
NAD  A 700 (-3.7A)
NAD  A 700 (-3.4A)
NAD  A 700 (-3.2A)
 0.64A 3u9hB-3q9oA:
5.6		 3u9hB-3q9oA:
18.07
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.
3s5w L-ORNITHINE
5-MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF13434
(K_oxygenase) 		4 GLY A 421
ALA A  28
SER A 420
TYR A 424
 None
 0.85A 3u9hB-3s5wA:
undetectable		 3u9hB-3s5wA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t1e HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 467
TYR A 469
ALA A 399
SER A 417
 None
 0.80A 3u9hB-3t1eA:
undetectable		 3u9hB-3t1eA:
20.07
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.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300

(Pyrococcus
horikoshii) 		PF01171
(ATP_bind_3) 		4 GLY A  56
LYS A  89
SER A  90
TYR A  93
 None
 0.68A 3u9hB-3vrhA:
undetectable		 3u9hB-3vrhA:
19.12
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 HIS A 476
GLY A 511
ALA A 515
GLU A 436
 None
 0.89A 3u9hB-3wsyA:
undetectable		 3u9hB-3wsyA:
15.71
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 GLY X 360
ALA X 541
SER X 573
TYR X 363
 None
 0.74A 3u9hB-3zyyX:
undetectable		 3u9hB-3zyyX:
17.09
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.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		4 HIS A  21
GLY A  22
TYR A  54
TYR A  65
 None
 0.59A 3u9hB-4ae0A:
6.3		 3u9hB-4ae0A:
18.66
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.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		4 HIS A 236
GLY A 178
ALA A 180
TYR A 177
 None
 0.87A 3u9hB-4efzA:
undetectable		 3u9hB-4efzA:
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.
4f0d POLY [ADP-RIBOSE]
POLYMERASE 16

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.46A 3u9hB-4f0dA:
10.4		 3u9hB-4f0dA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0e POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A 537
GLY A 538
LYS A 579
SER A 577
TYR A 582
 0RU  A 701 (-3.7A)
0RU  A 701 (-3.3A)
None
0RU  A 701 (-3.5A)
0RU  A 701 (-3.7A)
 1.49A 3u9hB-4f0eA:
19.5		 3u9hB-4f0eA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0e POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 537
GLY A 538
TYR A 569
ALA A 571
SER A 577
TYR A 582
 0RU  A 701 (-3.7A)
0RU  A 701 (-3.3A)
0RU  A 701 (-4.3A)
None
0RU  A 701 (-3.5A)
0RU  A 701 (-3.7A)
 0.51A 3u9hB-4f0eA:
19.5		 3u9hB-4f0eA:
30.53
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.
4f78 D,D-DIPEPTIDASE/D,D-
CARBOXYPEPTIDASE

(Enterococcus
faecalis) 		PF02557
(VanY) 		5 GLY A 172
TYR A 145
LYS A 177
SER A 176
TYR A 173
 None
None
None
None
EDO  A 313 ( 3.9A)
 1.22A 3u9hB-4f78A:
undetectable		 3u9hB-4f78A:
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 142
TYR A 148
SER A 138
TYR A 141
 None
 0.78A 3u9hB-4fdyA:
undetectable		 3u9hB-4fdyA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 GLY A 468
TYR A 470
ALA A 400
SER A 418
 None
 0.89A 3u9hB-4fzhA:
undetectable		 3u9hB-4fzhA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 GLY A 141
TYR A 147
SER A 137
TYR A 140
 None
 0.73A 3u9hB-4hpeA:
undetectable		 3u9hB-4hpeA:
21.41
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 GLY A 595
TYR A 590
ALA A 627
TYR A 599
 None
 0.84A 3u9hB-4j3bA:
undetectable		 3u9hB-4j3bA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 GLY A 261
ALA A 587
SER A 262
TYR A 119
 None
 0.89A 3u9hB-4k6mA:
undetectable		 3u9hB-4k6mA:
14.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A1031
GLY A1032
TYR A1060
ALA A1062
LYS A1067
SER A1068
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
1V8  A1201 (-3.6A)
SO4  A1203 ( 2.8A)
1V8  A1201 (-2.7A)
1V8  A1201 (-3.3A)
 0.15A 3u9hB-4l2kA:
25.4		 3u9hB-4l2kA:
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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 4 GLY A 181
ALA A 184
SER A 179
GLU A 153
 F6P  A 701 (-3.6A)
F6P  A 701 ( 4.2A)
F6P  A 701 (-2.9A)
None
 0.77A 3u9hB-4lc9A:
undetectable		 3u9hB-4lc9A:
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.
4nwy PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		PF13848
(Thioredoxin_6) 		4 HIS A 295
ALA A 299
LYS A 360
GLU A 302
 None
 0.78A 3u9hB-4nwyA:
undetectable		 3u9hB-4nwyA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A1184
GLY A1185
TYR A1213
ALA A1215
LYS A1220
SER A1221
TYR A1224
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
None
None
2XS  A1402 ( 3.9A)
 0.96A 3u9hB-4oa7A:
33.0		 3u9hB-4oa7A:
79.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1184
GLY A1185
TYR A1224
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 ( 3.9A)
None
 0.88A 3u9hB-4oa7A:
33.0		 3u9hB-4oa7A:
79.41
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		6 HIS C 862
GLY C 863
ALA C 898
SER C 904
TYR C 907
GLU C 988
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-3.5A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
2US  C1101 (-3.2A)
 0.84A 3u9hB-4oqaC:
18.6		 3u9hB-4oqaC:
18.90
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		5 HIS C 862
GLY C 863
LYS C 903
SER C 904
GLU C 988
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 ( 4.8A)
2US  C1101 (-3.4A)
2US  C1101 (-3.2A)
 1.44A 3u9hB-4oqaC:
18.6		 3u9hB-4oqaC:
18.90
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		6 HIS C 862
GLY C 863
TYR C 896
ALA C 898
SER C 904
TYR C 907
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 (-3.5A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
 0.55A 3u9hB-4oqaC:
18.6		 3u9hB-4oqaC:
18.90
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		5 HIS C 862
GLY C 863
TYR C 896
LYS C 903
SER C 904
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 ( 4.8A)
2US  C1101 (-3.4A)
 1.01A 3u9hB-4oqaC:
18.6		 3u9hB-4oqaC:
18.90
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 HIS A  98
GLY A 186
TYR A 190
ALA A 192
 None
 0.89A 3u9hB-4pfwA:
undetectable		 3u9hB-4pfwA:
16.83
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.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1682
GLY A1683
TYR A1714
ALA A1716
SER A1722
TYR A1727
 XL2  A1901 (-4.0A)
XL2  A1901 (-3.6A)
XL2  A1901 (-3.7A)
XL2  A1901 (-3.4A)
XL2  A1901 (-2.6A)
XL2  A1901 (-3.6A)
 0.37A 3u9hB-4py4A:
18.5		 3u9hB-4py4A:
26.53
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		4 HIS A  76
GLY A  75
ALA A 101
SER A  98
 None
 0.82A 3u9hB-4qwvA:
undetectable		 3u9hB-4qwvA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 HIS A 268
GLY A 269
ALA A 266
SER A 270
 None
 0.82A 3u9hB-4rnzA:
undetectable		 3u9hB-4rnzA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 HIS A 218
GLY A 248
ALA A 343
SER A 247
GLU A 317
 None
PEG  A 503 ( 4.4A)
None
None
None
 1.27A 3u9hB-4wyrA:
undetectable		 3u9hB-4wyrA:
20.40
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 672
GLY A 335
ALA A 611
SER A 336
GLU A 615
 GOL  A 916 (-4.1A)
GOL  A 916 ( 3.5A)
GOL  A 916 ( 4.2A)
None
None
 1.24A 3u9hB-4xmvA:
undetectable		 3u9hB-4xmvA:
13.18
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.
4y90 TRIOSEPHOSPHATE
ISOMERASE

(Deinococcus
radiodurans) 		PF00121
(TIM) 		4 GLY A 226
TYR A 206
ALA A 162
GLU A 164
 None
None
None
CA  A 305 (-3.1A)
 0.84A 3u9hB-4y90A:
undetectable		 3u9hB-4y90A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yiv APICAL MEMBRANE
ANTIGEN AMA1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		4 GLY A 372
TYR A 374
SER A 402
TYR A 403
 None
 0.77A 3u9hB-4yivA:
undetectable		 3u9hB-4yivA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yxz DTOR_9X31L

(synthetic
construct) 		no annotation 5 GLY A  24
TYR A  52
ALA A  48
SER A  23
GLU A  49
 None
 1.21A 3u9hB-4yxzA:
undetectable		 3u9hB-4yxzA:
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A  41
TYR A  70
ALA A  44
SER A  37
 None
 0.84A 3u9hB-4zv4A:
undetectable		 3u9hB-4zv4A:
19.27
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.
4zv9 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF01738
(DLH) 		4 GLY A  80
ALA A 165
SER A  77
GLU A 168
 None
GOL  A 302 (-3.5A)
GOL  A 302 ( 4.6A)
GOL  A 302 (-2.8A)
 0.89A 3u9hB-4zv9A:
undetectable		 3u9hB-4zv9A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 428
GLY A 429
TYR A 462
ALA A 464
SER A 470
TYR A 473
GLU A 558
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.2A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.9A)
 0.94A 3u9hB-4zzyA:
18.6		 3u9hB-4zzyA:
22.83
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.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		6 HIS A 428
GLY A 429
TYR A 462
LYS A 469
SER A 470
TYR A 473
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.9A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
 1.08A 3u9hB-4zzyA:
18.6		 3u9hB-4zzyA:
22.83
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		4 GLY A 292
SER A 290
TYR A 291
GLU A 312
 None
None
None
GOL  A 703 (-2.8A)
 0.85A 3u9hB-5cd6A:
undetectable		 3u9hB-5cd6A:
18.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		8 HIS A1031
GLY A1032
TYR A1060
ALA A1062
LYS A1067
SER A1068
TYR A1071
GLU A1138
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
59B  A1203 (-3.5A)
PO4  A1202 (-2.7A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
59B  A1203 (-3.7A)
 0.23A 3u9hB-5dczA:
37.2		 3u9hB-5dczA:
96.48
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A 415
GLY A 416
TYR A 449
ALA A 451
SER A 457
TYR A 460
GLU A 545
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 (-3.8A)
UHB  A1001 ( 4.1A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.4A)
UHB  A1001 (-3.5A)
 0.81A 3u9hB-5dsyA:
18.6		 3u9hB-5dsyA:
29.11
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 415
GLY A 416
TYR A 449
LYS A 456
SER A 457
TYR A 460
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 (-3.8A)
UHB  A1001 ( 4.6A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.4A)
 1.00A 3u9hB-5dsyA:
18.6		 3u9hB-5dsyA:
29.11
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASB

(Escherichia
coli) 		PF09485
(CRISPR_Cse2) 		4 GLY B  95
ALA B 124
SER B  94
GLU B 125
 None
 0.86A 3u9hB-5h9fB:
undetectable		 3u9hB-5h9fB:
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		4 GLY A1072
TYR A1124
SER A1073
GLU A1120
 None
 0.80A 3u9hB-5hccA:
undetectable		 3u9hB-5hccA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kx6 GALACTOSIDE
2-ALPHA-L-FUCOSYLTRA
NSFERASE

(Arabidopsis
thaliana) 		PF03254
(XG_FTase) 		4 GLY A 344
TYR A 349
ALA A 465
GLU A 466
 None
None
None
GDP  A 601 (-3.2A)
 0.80A 3u9hB-5kx6A:
undetectable		 3u9hB-5kx6A:
18.57
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.
5lx6 POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 78P  A1101 (-4.0A)
78P  A1101 (-3.7A)
78P  A1101 (-3.7A)
78P  A1101 ( 4.2A)
78P  A1101 (-2.8A)
78P  A1101 (-3.8A)
 0.54A 3u9hB-5lx6A:
18.7		 3u9hB-5lx6A:
25.56
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 4 GLY A 495
ALA A 576
TYR A 494
GLU A 601
 None
 0.87A 3u9hB-5n4cA:
undetectable		 3u9hB-5n4cA:
15.66
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 GLY A 727
ALA A 696
LYS A 693
TYR A 726
GLU A 697
 None
 1.49A 3u9hB-5tusA:
undetectable		 3u9hB-5tusA:
14.09
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 201
GLY A 202
ALA A 237
LYS A 242
SER A 243
GLU A 327
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.9A)
 1.33A 3u9hB-5xstA:
19.1		 3u9hB-5xstA:
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 201
GLY A 202
ALA A 237
SER A 243
TYR A 246
GLU A 327
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
 0.80A 3u9hB-5xstA:
19.1		 3u9hB-5xstA:
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
 0.97A 3u9hB-5xstA:
19.1		 3u9hB-5xstA:
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
 0.42A 3u9hB-5xstA:
19.1		 3u9hB-5xstA:
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 862
GLY A 863
ALA A 898
SER A 904
TYR A 907
GLU A 988
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 ( 4.1A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
DQV  A1101 (-3.3A)
 0.90A 3u9hB-6bhvA:
19.2		 3u9hB-6bhvA:
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 862
GLY A 863
TYR A 896
ALA A 898
LYS A 903
SER A 904
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-3.5A)
DQV  A1101 ( 4.1A)
DQV  A1101 ( 4.9A)
DQV  A1101 (-2.7A)
 1.00A 3u9hB-6bhvA:
19.2		 3u9hB-6bhvA:
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 6 HIS A 862
GLY A 863
TYR A 896
ALA A 898
SER A 904
TYR A 907
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-3.5A)
DQV  A1101 ( 4.1A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
 0.46A 3u9hB-6bhvA:
19.2		 3u9hB-6bhvA:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 HIS A 752
GLY A 753
ALA A 775
SER A 761
 None
 0.86A 3u9hB-6eotA:
undetectable		 3u9hB-6eotA:
undetectable