SIMILAR PATTERNS OF AMINO ACIDS FOR 4BJC_A_RPBA2162_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.
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)
 0.53A 4bjcA-1dtpA:
5.6		 4bjcA-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
 0.86A 4bjcA-1dtpA:
5.6		 4bjcA-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
 0.80A 4bjcA-1e8tA:
undetectable		 4bjcA-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) 		6 HIS A 862
GLY A 863
ALA A 898
LYS A 903
SER A 904
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 (-4.0A)
 1.30A 4bjcA-1efyA:
18.7		 4bjcA-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) 		6 HIS A 862
GLY A 863
ALA A 898
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 (-3.3A)
BZC  A 201 (-3.6A)
BZC  A 201 (-4.0A)
 0.78A 4bjcA-1efyA:
18.7		 4bjcA-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) 		6 HIS A 862
GLY A 863
TYR A 896
ALA A 898
LYS A 903
SER A 904
 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)
 0.91A 4bjcA-1efyA:
18.7		 4bjcA-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) 		6 HIS A 862
GLY A 863
TYR A 896
ALA A 898
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 (-3.3A)
BZC  A 201 (-3.6A)
 0.27A 4bjcA-1efyA:
18.7		 4bjcA-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
 0.90A 4bjcA-1ikpA:
5.9		 4bjcA-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
 0.30A 4bjcA-1ikpA:
5.9		 4bjcA-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
 1.48A 4bjcA-1jr1A:
undetectable		 4bjcA-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 4bjcA-1l1lA:
undetectable		 4bjcA-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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 HIS A  51
GLY A  57
ALA A  50
GLU A  48
 None
 0.84A 4bjcA-1nvmA:
undetectable		 4bjcA-1nvmA:
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.
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
 0.69A 4bjcA-1o0sA:
undetectable		 4bjcA-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
 1.15A 4bjcA-1o1zA:
undetectable		 4bjcA-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
 0.72A 4bjcA-1qfxA:
undetectable		 4bjcA-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.
1qnz 0.5B ANTIBODY (LIGHT
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		5 GLY L 103
TYR L  90
ALA L   9
SER L 104
TYR L  91
 None
 1.10A 4bjcA-1qnzL:
undetectable		 4bjcA-1qnzL:
17.57
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.
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)
 0.83A 4bjcA-1qotA:
undetectable		 4bjcA-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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		4 GLY A  10
TYR A 296
ALA A 292
GLU A 293
 None
 0.75A 4bjcA-1t5jA:
undetectable		 4bjcA-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
 0.84A 4bjcA-1whwA:
undetectable		 4bjcA-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.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		4 HIS A  35
LYS A 194
SER A 195
TYR A 198
 None
 0.87A 4bjcA-1xqwA:
undetectable		 4bjcA-1xqwA:
21.90
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.
2gwg 4-OXALOMESACONATE
HYDRATASE

(Rhodopseudomonas
palustris) 		PF04909
(Amidohydro_2) 		4 GLY A 136
LYS A 130
TYR A 135
GLU A 127
 None
 0.81A 4bjcA-2gwgA:
undetectable		 4bjcA-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
 0.79A 4bjcA-2hj9A:
undetectable		 4bjcA-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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		4 GLY A 507
ALA A 558
TYR A 506
GLU A 559
 None
 0.81A 4bjcA-2oajA:
undetectable		 4bjcA-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
SER A 139
TYR A 135
GLU A  34
 FAD  A 415 (-3.3A)
FAD  A 415 (-2.6A)
None
None
 0.86A 4bjcA-2ok8A:
undetectable		 4bjcA-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
 0.86A 4bjcA-2oxtA:
undetectable		 4bjcA-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)
 0.29A 4bjcA-2pqfA:
19.9		 4bjcA-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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		4 GLY A 232
ALA A 261
LYS A 237
GLU A 264
 None
 0.88A 4bjcA-2qu7A:
undetectable		 4bjcA-2qu7A:
19.38
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.
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
 0.73A 4bjcA-2w3pA:
undetectable		 4bjcA-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
 0.85A 4bjcA-2zf5O:
undetectable		 4bjcA-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
 0.86A 4bjcA-3aw9A:
undetectable		 4bjcA-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
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)
 0.43A 4bjcA-3b78B:
6.0		 4bjcA-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) 		4 HIS B 440
GLY B 441
TYR B 481
GLU B 553
 NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 (-3.4A)
NAD  B 700 (-3.5A)
 0.72A 4bjcA-3b78B:
6.0		 4bjcA-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)
 0.90A 4bjcA-3c49A:
17.9		 4bjcA-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)
 0.55A 4bjcA-3c49A:
17.9		 4bjcA-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
 0.79A 4bjcA-3e5bA:
undetectable		 4bjcA-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.
3es2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF07228
(SpoIIE) 		4 GLY A 271
TYR A 196
ALA A 205
TYR A 207
 None
 0.89A 4bjcA-3es2A:
undetectable		 4bjcA-3es2A:
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.
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
 0.83A 4bjcA-3h5qA:
undetectable		 4bjcA-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)
 0.30A 4bjcA-3hkvA:
19.0		 4bjcA-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
 0.83A 4bjcA-3i58A:
undetectable		 4bjcA-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)
 0.35A 4bjcA-3ki6A:
5.2		 4bjcA-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)
 0.67A 4bjcA-3ki6A:
5.2		 4bjcA-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.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		5 HIS A 143
GLY A 139
ALA A 142
SER A 140
GLU A 113
 None
None
None
MPO  A 325 (-4.5A)
MPO  A 325 (-3.5A)
 1.36A 4bjcA-3ksxA:
undetectable		 4bjcA-3ksxA:
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.
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
 0.79A 4bjcA-3ladA:
undetectable		 4bjcA-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
 0.72A 4bjcA-3muoA:
undetectable		 4bjcA-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)
 0.43A 4bjcA-3q9oA:
5.4		 4bjcA-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)
 0.60A 4bjcA-3q9oA:
5.4		 4bjcA-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
 0.83A 4bjcA-3s5wA:
undetectable		 4bjcA-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
 0.84A 4bjcA-3t1eA:
undetectable		 4bjcA-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 4bjcA-3vrhA:
undetectable		 4bjcA-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
 0.88A 4bjcA-3wsyA:
undetectable		 4bjcA-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
 0.75A 4bjcA-3zyyX:
undetectable		 4bjcA-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
 0.42A 4bjcA-4ae0A:
6.5		 4bjcA-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.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		4 HIS A  21
GLY A  22
TYR A  65
GLU A 148
 None
 0.85A 4bjcA-4ae0A:
6.5		 4bjcA-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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 HIS A 222
GLY A 252
ALA A 347
SER A 251
GLU A 321
 None
MES  A1401 (-3.5A)
None
None
None
 1.49A 4bjcA-4c2kA:
undetectable		 4bjcA-4c2kA:
20.24
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		4 GLY A 436
TYR A 485
ALA A 481
GLU A 482
 None
 0.81A 4bjcA-4conA:
undetectable		 4bjcA-4conA:
15.49
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.
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 4bjcA-4efzA:
undetectable		 4bjcA-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)
 0.33A 4bjcA-4f0dA:
10.7		 4bjcA-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) 		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)
 0.39A 4bjcA-4f0eA:
19.0		 4bjcA-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.
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
 0.71A 4bjcA-4fdyA:
undetectable		 4bjcA-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.
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
 0.67A 4bjcA-4hpeA:
undetectable		 4bjcA-4hpeA:
21.41
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)
 0.18A 4bjcA-4l2kA:
22.8		 4bjcA-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
 0.79A 4bjcA-4lc9A:
undetectable		 4bjcA-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 4bjcA-4nwyA:
undetectable		 4bjcA-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) 		6 HIS A1184
GLY A1185
ALA A1215
LYS A1220
SER A1221
TYR A1224
 2XS  A1402 (-4.2A)
None
None
None
None
2XS  A1402 ( 3.9A)
 0.88A 4bjcA-4oa7A:
32.4		 4bjcA-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) 		6 HIS A1184
GLY A1185
TYR A1213
ALA A1215
SER A1221
TYR A1224
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
None
2XS  A1402 ( 3.9A)
 0.60A 4bjcA-4oa7A:
32.4		 4bjcA-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
LYS C 903
SER C 904
GLU C 988
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-3.5A)
2US  C1101 ( 4.8A)
2US  C1101 (-3.4A)
2US  C1101 (-3.2A)
 1.36A 4bjcA-4oqaC:
18.2		 4bjcA-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
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)
 0.81A 4bjcA-4oqaC:
18.2		 4bjcA-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
LYS C 903
SER C 904
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 (-3.5A)
2US  C1101 ( 4.8A)
2US  C1101 (-3.4A)
 0.93A 4bjcA-4oqaC:
18.2		 4bjcA-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)
 0.44A 4bjcA-4oqaC:
18.2		 4bjcA-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
 0.86A 4bjcA-4pfwA:
undetectable		 4bjcA-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)
 0.29A 4bjcA-4py4A:
18.9		 4bjcA-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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Bacillus
anthracis) 		PF13407
(Peripla_BP_4) 		4 TYR A 197
LYS A 204
SER A 205
GLU A 199
 None
 0.79A 4bjcA-4pz0A:
undetectable		 4bjcA-4pz0A:
18.93
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.
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
 0.81A 4bjcA-4qwvA:
undetectable		 4bjcA-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
 0.85A 4bjcA-4rnzA:
undetectable		 4bjcA-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
 1.24A 4bjcA-4wyrA:
undetectable		 4bjcA-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
 1.29A 4bjcA-4xmvA:
undetectable		 4bjcA-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.
4yiv APICAL MEMBRANE
ANTIGEN AMA1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		4 GLY A 372
TYR A 374
SER A 402
TYR A 403
 None
 0.81A 4bjcA-4yivA:
undetectable		 4bjcA-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
 1.26A 4bjcA-4yxzA:
undetectable		 4bjcA-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
 0.86A 4bjcA-4zv4A:
undetectable		 4bjcA-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)
 0.85A 4bjcA-4zv9A:
undetectable		 4bjcA-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) 		6 HIS A 428
GLY A 429
ALA A 464
SER A 470
TYR A 473
GLU A 558
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.2A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.9A)
 0.86A 4bjcA-4zzyA:
18.3		 4bjcA-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
ALA A 464
LYS A 469
SER A 470
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.2A)
D7N  A1584 (-3.9A)
D7N  A1584 (-2.7A)
 0.96A 4bjcA-4zzyA:
18.3		 4bjcA-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
ALA A 464
SER A 470
TYR A 473
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.2A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
 0.40A 4bjcA-4zzyA:
18.3		 4bjcA-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)
 0.88A 4bjcA-5cd6A:
undetectable		 4bjcA-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)
 0.21A 4bjcA-5dczA:
34.5		 4bjcA-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
LYS A 456
SER A 457
GLU A 545
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 (-3.8A)
UHB  A1001 ( 4.1A)
UHB  A1001 ( 4.6A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.5A)
 1.29A 4bjcA-5dsyA:
18.4		 4bjcA-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) 		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)
 0.78A 4bjcA-5dsyA:
18.4		 4bjcA-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
 0.87A 4bjcA-5h9fB:
undetectable		 4bjcA-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
 0.79A 4bjcA-5hccA:
undetectable		 4bjcA-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)
 0.84A 4bjcA-5kx6A:
undetectable		 4bjcA-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)
 0.39A 4bjcA-5lx6A:
18.4		 4bjcA-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
 0.85A 4bjcA-5n4cA:
undetectable		 4bjcA-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.
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)
 1.32A 4bjcA-5xstA:
18.4		 4bjcA-5xstA:
15.62
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.
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)
 0.77A 4bjcA-5xstA:
18.4		 4bjcA-5xstA:
15.62
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.
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)
 0.94A 4bjcA-5xstA:
18.4		 4bjcA-5xstA:
15.62
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.
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)
 0.35A 4bjcA-5xstA:
18.4		 4bjcA-5xstA:
15.62
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 5 HIS A 862
GLY A 863
SER A 904
TYR A 907
GLU A 988
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
DQV  A1101 (-3.3A)
 0.67A 4bjcA-6bhvA:
18.6		 4bjcA-6bhvA:
16.81
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.
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)
 0.96A 4bjcA-6bhvA:
18.6		 4bjcA-6bhvA:
16.81
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.
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)
 0.35A 4bjcA-6bhvA:
18.6		 4bjcA-6bhvA:
16.81
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 HIS A 752
GLY A 753
ALA A 775
SER A 761
 None
 0.86A 4bjcA-6eotA:
undetectable		 4bjcA-6eotA:
15.83