SIMILAR PATTERNS OF AMINO ACIDS FOR 4RV6_B_RPBB1103

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) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 APU  A 200 ( 3.3A)
APU  A 200 ( 4.0A)
APU  A 200 ( 4.0A)
APU  A 200 ( 3.6A)
None
 0.46A 4rv6B-1dtpA:
6.6		 4rv6B-1dtpA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 GLN A 763
TYR A 896
ALA A 898
LYS A 903
GLU A 988
 BZC  A 201 (-3.8A)
BZC  A 201 (-4.0A)
BZC  A 201 ( 3.9A)
BZC  A 201 ( 4.8A)
BZC  A 201 (-4.0A)
 0.93A 4rv6B-1efyA:
52.4		 4rv6B-1efyA:
86.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		9 HIS A 862
GLY A 863
TYR A 889
TYR A 896
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)
None
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)
BZC  A 201 (-4.0A)
 0.49A 4rv6B-1efyA:
52.4		 4rv6B-1efyA:
86.57
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.
1htn TETRANECTIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLY A  90
TYR A  97
ALA A  95
SER A  91
GLU A  98
 None
 1.32A 4rv6B-1htnA:
undetectable		 4rv6B-1htnA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		6 HIS A 440
GLY A 441
TYR A 470
ALA A 472
TYR A 481
GLU A 553
 None
 0.57A 4rv6B-1ikpA:
6.0		 4rv6B-1ikpA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		5 GLN A 710
GLU A 712
GLY A 723
ALA A 771
TYR A 722
 None
 1.39A 4rv6B-1obhA:
undetectable		 4rv6B-1obhA:
16.57
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLN A 176
GLY A 204
TYR A 520
SER A 207
GLU A 535
 FLC  A 743 (-3.8A)
None
None
None
None
 1.38A 4rv6B-1po0A:
undetectable		 4rv6B-1po0A:
18.45
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.
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
 1.09A 4rv6B-1qnzL:
undetectable		 4rv6B-1qnzL:
14.37
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.
1u2v ACTIN-RELATED
PROTEIN 2
ARP2/3 COMPLEX 20KDA
SUBUNIT

(Bos taurus) 		PF00022
(Actin)
PF05856
(ARPC4) 		5 GLN B 267
GLU B 263
HIS F  33
GLY B 312
SER B 315
 None
 1.38A 4rv6B-1u2vB:
undetectable		 4rv6B-1u2vB:
22.25
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.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		5 GLN A 258
GLY A 244
TYR A 257
TYR A 253
SER A 247
 None
 1.41A 4rv6B-1venA:
undetectable		 4rv6B-1venA:
21.18
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.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  85
GLY A 259
SER A 260
TYR A 256
GLU A 223
 None
 1.49A 4rv6B-2b2cA:
undetectable		 4rv6B-2b2cA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 HIS A 332
GLY A 326
SER A 346
TYR A 331
GLU A 335
 None
 1.36A 4rv6B-2f2aA:
undetectable		 4rv6B-2f2aA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.37A 4rv6B-2pqfA:
18.9		 4rv6B-2pqfA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		5 GLY A 121
TYR A 203
TYR A 213
ALA A 244
SER A  78
 None
 1.46A 4rv6B-2w1vA:
undetectable		 4rv6B-2w1vA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvy CHEMOTAXIS PROTEIN
MOTB

(Salmonella
enterica) 		PF00691
(OmpA) 		5 GLN A 157
HIS A 196
GLY A 195
ALA A 243
SER A 215
 None
 1.32A 4rv6B-2zvyA:
undetectable		 4rv6B-2zvyA:
21.07
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		6 HIS B 440
GLY B 441
TYR B 470
ALA B 472
TYR B 481
GLU B 553
 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)
NAD  B 700 (-3.5A)
 0.37A 4rv6B-3b78B:
6.3		 4rv6B-3b78B:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
GLU A 514
 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 (-3.9A)
 0.96A 4rv6B-3c49A:
41.9		 4rv6B-3c49A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
SER A 422
TYR A 425
GLU A 514
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 (-4.1A)
KU8  A 601 ( 4.0A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.5A)
KU8  A 601 (-3.9A)
 0.55A 4rv6B-3c49A:
41.9		 4rv6B-3c49A:
37.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.48A 4rv6B-3hkvA:
18.1		 4rv6B-3hkvA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLN A 373
GLY A 410
TYR A 404
ALA A 463
LYS A 466
 None
 1.14A 4rv6B-3ic9A:
undetectable		 4rv6B-3ic9A:
22.31
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.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		5 GLN A 120
GLY A 303
TYR A 121
SER A 245
TYR A 244
 None
 1.36A 4rv6B-3iu0A:
undetectable		 4rv6B-3iu0A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k85 D-GLYCERO-D-MANNO-HE
PTOSE 1-PHOSPHATE
KINASE

(Bacteroides
thetaiotaomicron) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLN A 160
GLU A 147
GLY A 109
ALA A 106
SER A 110
 None
 1.49A 4rv6B-3k85A:
undetectable		 4rv6B-3k85A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		6 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
GLU A 581
 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)
G9L  A   1 (-4.6A)
 0.44A 4rv6B-3ki6A:
5.6		 4rv6B-3ki6A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		6 HIS A 460
GLY A 461
TYR A 493
ALA A 495
TYR A 504
GLU A 581
 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)
NAD  A 700 (-3.2A)
 0.48A 4rv6B-3q9oA:
5.6		 4rv6B-3q9oA:
19.47
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		5 GLN A 512
GLU A 363
HIS A 356
GLY A 161
TYR A 278
 G6Q  A 571 ( 3.5A)
G6Q  A 571 ( 2.9A)
None
None
None
 1.42A 4rv6B-3ujhA:
undetectable		 4rv6B-3ujhA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLN X  97
GLY X 360
ALA X 541
SER X 573
TYR X 363
 None
 1.48A 4rv6B-3zyyX:
undetectable		 4rv6B-3zyyX:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLN X  99
GLY X 360
ALA X 541
SER X 573
TYR X 363
 None
 1.27A 4rv6B-3zyyX:
undetectable		 4rv6B-3zyyX:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.80A 4rv6B-4ae0A:
6.4		 4rv6B-4ae0A:
22.18
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.
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)
 0.44A 4rv6B-4f0eA:
17.5		 4rv6B-4f0eA:
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.
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)
 1.17A 4rv6B-4f78A:
undetectable		 4rv6B-4f78A:
22.55
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLU B1361
GLY B1353
TYR B1378
ALA B1350
SER B1354
 None
 1.44A 4rv6B-4f92B:
undetectable		 4rv6B-4f92B:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
LYS A1067
SER A1068
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
1V8  A1201 (-3.6A)
SO4  A1203 ( 2.8A)
1V8  A1201 (-2.7A)
 1.05A 4rv6B-4l2kA:
11.7		 4rv6B-4l2kA:
19.89
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.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
SER A1068
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
1V8  A1201 (-3.6A)
1V8  A1201 (-2.7A)
1V8  A1201 (-3.3A)
 0.46A 4rv6B-4l2kA:
11.7		 4rv6B-4l2kA:
19.89
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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A1184
GLY A1185
TYR A1213
ALA A1215
LYS A1220
SER A1221
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
None
None
None
 0.65A 4rv6B-4oa7A:
19.6		 4rv6B-4oa7A:
22.22
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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A1184
GLY A1185
TYR A1213
ALA A1215
SER A1221
TYR A1224
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
None
2XS  A1402 ( 3.9A)
None
 0.77A 4rv6B-4oa7A:
19.6		 4rv6B-4oa7A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		10 GLN C 759
HIS C 862
GLY C 863
TYR C 889
TYR C 896
ALA C 898
LYS C 903
SER C 904
TYR C 907
GLU C 988
 None
2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 (-3.5A)
2US  C1101 ( 4.8A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
2US  C1101 (-3.2A)
 0.57A 4rv6B-4oqaC:
48.1		 4rv6B-4oqaC:
79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		6 GLU C 763
HIS C 862
GLY C 863
ALA C 898
SER C 904
TYR C 907
 None
2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-3.5A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
 0.87A 4rv6B-4oqaC:
48.1		 4rv6B-4oqaC:
79.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 HIS A 320
GLY A 306
TYR A  36
TYR A 319
SER A 305
 None
 1.36A 4rv6B-4p6vA:
undetectable		 4rv6B-4p6vA:
22.15
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.
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)
 0.38A 4rv6B-4py4A:
16.6		 4rv6B-4py4A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u9o NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 HIS A 320
GLY A 306
TYR A  36
TYR A 319
SER A 305
 None
 1.30A 4rv6B-4u9oA:
undetectable		 4rv6B-4u9oA:
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.
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
 1.49A 4rv6B-4xmvA:
undetectable		 4rv6B-4xmvA:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		9 HIS A 428
GLY A 429
TYR A 455
TYR A 462
ALA A 464
LYS A 469
SER A 470
TYR A 473
GLU A 558
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.2A)
D7N  A1584 (-3.9A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.9A)
 0.47A 4rv6B-4zzyA:
45.0		 4rv6B-4zzyA:
46.15
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
ALA A1062
SER A1068
TYR A1071
GLU A1138
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-3.5A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
59B  A1203 (-3.7A)
 0.91A 4rv6B-5dczA:
19.4		 4rv6B-5dczA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
LYS A1067
SER A1068
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
59B  A1203 (-3.5A)
PO4  A1202 (-2.7A)
59B  A1203 (-2.8A)
 1.11A 4rv6B-5dczA:
19.4		 4rv6B-5dczA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
GLY A1032
TYR A1060
ALA A1062
SER A1068
TYR A1071
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
59B  A1203 (-3.5A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
 0.42A 4rv6B-5dczA:
19.4		 4rv6B-5dczA:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		9 HIS A 415
GLY A 416
TYR A 442
TYR A 449
ALA A 451
LYS A 456
SER A 457
TYR A 460
GLU A 545
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 ( 4.7A)
UHB  A1001 (-3.8A)
UHB  A1001 ( 4.1A)
UHB  A1001 ( 4.6A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.4A)
UHB  A1001 (-3.5A)
 0.57A 4rv6B-5dsyA:
36.1		 4rv6B-5dsyA:
40.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		5 GLY A 376
TYR A 370
ALA A 379
SER A 377
GLU A 420
 None
 1.26A 4rv6B-5j5uA:
undetectable		 4rv6B-5j5uA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.53A 4rv6B-5lx6A:
18.4		 4rv6B-5lx6A:
20.64
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 GLN A 279
HIS A 431
GLY A 353
TYR A 428
GLU A 434
 None
 1.26A 4rv6B-5m41A:
undetectable		 4rv6B-5m41A:
11.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 11 GLN A  98
GLU A 102
HIS A 201
GLY A 202
TYR A 228
TYR A 235
ALA A 237
LYS A 242
SER A 243
TYR A 246
GLU A 327
 8E6  A 401 ( 4.7A)
8E6  A 401 (-4.2A)
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.7A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
 0.72A 4rv6B-5xstA:
52.7		 4rv6B-5xstA:
98.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0m -

(-) 		no annotation 5 GLY A  71
TYR A 156
ALA A 116
TYR A  65
GLU A 115
 None
 1.12A 4rv6B-5y0mA:
undetectable		 4rv6B-5y0mA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 9 HIS A 862
GLY A 863
TYR A 889
TYR A 896
ALA A 898
LYS A 903
SER A 904
TYR A 907
GLU A 988
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-4.2A)
DQV  A1101 (-3.5A)
DQV  A1101 ( 4.1A)
DQV  A1101 ( 4.9A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
DQV  A1101 (-3.3A)
 0.37A 4rv6B-6bhvA:
39.9		 4rv6B-6bhvA:
32.22
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 5 HIS A 407
GLY A 406
TYR A 372
ALA A 370
TYR A 405
 None
 1.47A 4rv6B-6cf6A:
undetectable		 4rv6B-6cf6A:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cnk IGG1 HEAVY CHAIN
IGG1 KAPPA LIGHT
CHAIN

(Mus musculus) 		no annotation 5 GLN F  95
TYR G 100
ALA G  98
TYR F  41
GLU G  36
 None
 1.47A 4rv6B-6cnkF:
undetectable		 4rv6B-6cnkF:
12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k ACTH
QUINOL:CYTOCHROME C
OXIDOREDUCTASE
MONOHEME CYTOCHROME
SUBUNIT

(Rhodothermus
marinus) 		no annotation 5 GLU E  76
GLY H 147
TYR E  81
ALA H 160
SER H 146
 None
 1.44A 4rv6B-6f0kE:
undetectable		 4rv6B-6f0kE:
13.47