SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMP_P_CHDP307_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aoa T-FIMBRIN

(Homo sapiens) 		PF00307
(CH) 		4 LEU A 281
GLN A 308
PHE A 279
PHE A 292
 LEU  A 281 ( 0.6A)
GLN  A 308 ( 0.6A)
PHE  A 279 ( 1.3A)
PHE  A 292 ( 1.3A)
 1.29A 6nmpP-1aoaA:
0.1
6nmpW-1aoaA:
0.0		 6nmpP-1aoaA:
19.49
6nmpW-1aoaA:
15.94
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.
1cb1 CALBINDIN D9K

(Sus scrofa) 		PF00036
(EF-hand_1)
PF01023
(S_100) 		4 LEU A  69
GLN A  67
PHE A  10
PHE A  50
 None
 1.34A 6nmpP-1cb1A:
undetectable
6nmpW-1cb1A:
undetectable		 6nmpP-1cb1A:
17.50
6nmpW-1cb1A:
24.00
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.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		4 ARG D 235
LEU D 312
GLN D 343
PHE D 200
 None
 1.48A 6nmpP-1dkgD:
0.7
6nmpW-1dkgD:
0.0		 6nmpP-1dkgD:
20.15
6nmpW-1dkgD:
10.23
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 LEU A 222
GLN A 223
PHE A 221
PHE A 282
 None
 1.37A 6nmpP-1gqjA:
undetectable
6nmpW-1gqjA:
undetectable		 6nmpP-1gqjA:
17.91
6nmpW-1gqjA:
7.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1he7 HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07679
(I-set) 		4 LEU A 348
GLN A 350
PHE A 327
PHE A 317
 None
 1.42A 6nmpP-1he7A:
undetectable
6nmpW-1he7A:
undetectable		 6nmpP-1he7A:
19.37
6nmpW-1he7A:
18.25
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 LEU L  45
GLN L  47
PHE L  46
PHE L 131
 None
 1.12A 6nmpP-1kfuL:
0.0
6nmpW-1kfuL:
0.0		 6nmpP-1kfuL:
16.26
6nmpW-1kfuL:
6.33
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.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 LEU A  45
GLN A  47
PHE A  46
PHE A 131
 None
 1.22A 6nmpP-1mdwA:
undetectable
6nmpW-1mdwA:
0.0		 6nmpP-1mdwA:
19.10
6nmpW-1mdwA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		4 LEU A 277
GLN A   4
PHE A 284
PHE A 222
 None
 1.18A 6nmpP-1oltA:
0.0
6nmpW-1oltA:
0.0		 6nmpP-1oltA:
20.00
6nmpW-1oltA:
8.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		4 LEU A 230
GLN A 228
PHE A 229
PHE A 436
 EPH  A4000 (-4.7A)
None
None
None
 1.27A 6nmpP-1r20A:
undetectable
6nmpW-1r20A:
0.0		 6nmpP-1r20A:
20.91
6nmpW-1r20A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj7 ECTODYSPLASIN A

(Homo sapiens) 		PF00229
(TNF) 		4 LEU A 253
GLN A 254
PHE A 379
PHE A 284
 None
 0.91A 6nmpP-1rj7A:
undetectable
6nmpW-1rj7A:
undetectable		 6nmpP-1rj7A:
19.93
6nmpW-1rj7A:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbq 5,10-METHENYLTETRAHY
DROFOLATE SYNTHETASE
HOMOLOG

(Mycoplasma
pneumoniae) 		PF01812
(5-FTHF_cyc-lig) 		4 ARG A   7
LEU A 116
PHE A 109
PHE A 118
 None
 1.35A 6nmpP-1sbqA:
undetectable
6nmpW-1sbqA:
undetectable		 6nmpP-1sbqA:
20.45
6nmpW-1sbqA:
17.22
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.
1v7n THROMBOPOIETIN

(Homo sapiens) 		PF00758
(EPO_TPO) 		4 ARG V  25
LEU V  22
GLN V 132
PHE V 131
 None
 1.08A 6nmpP-1v7nV:
1.1
6nmpW-1v7nV:
undetectable		 6nmpP-1v7nV:
20.63
6nmpW-1v7nV:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 LEU 3 129
GLN 3 194
PHE 3 192
PHE 3 117
 None
 1.13A 6nmpP-1z7z3:
undetectable
6nmpW-1z7z3:
undetectable		 6nmpP-1z7z3:
23.67
6nmpW-1z7z3:
14.53
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.
1zyb TRANSCRIPTION
REGULATOR, CRP
FAMILY

(Bacteroides
thetaiotaomicron) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 LEU A   8
GLN A  10
PHE A   5
PHE A  33
 None
None
GOL  A 223 (-4.8A)
None
 1.40A 6nmpP-1zybA:
undetectable
6nmpW-1zybA:
undetectable		 6nmpP-1zybA:
20.00
6nmpW-1zybA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7u CHARYBDIN

(Drimia maritima) 		PF00161
(RIP) 		4 ARG A  18
LEU A  19
GLN A 139
PHE A  27
 None
 1.47A 6nmpP-2b7uA:
undetectable
6nmpW-2b7uA:
undetectable		 6nmpP-2b7uA:
20.93
6nmpW-2b7uA:
14.00
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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ARG A 177
LEU A 210
PHE A 304
PHE A 184
 None
None
NAR  A1352 ( 3.5A)
None
 1.34A 6nmpP-2brtA:
undetectable
6nmpW-2brtA:
undetectable		 6nmpP-2brtA:
19.40
6nmpW-2brtA:
13.23
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.
2hi3 HOMEODOMAIN-ONLY
PROTEIN

(Mus musculus) 		PF00046
(Homeobox) 		4 ARG A  59
LEU A  55
GLN A  53
PHE A  51
 None
 1.02A 6nmpP-2hi3A:
undetectable
6nmpW-2hi3A:
undetectable		 6nmpP-2hi3A:
13.41
6nmpW-2hi3A:
18.31
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.
2mqw 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A  41
GLN A  40
PHE A  39
PHE A   2
 None
 1.33A 6nmpP-2mqwA:
2.9
6nmpW-2mqwA:
undetectable		 6nmpP-2mqwA:
20.00
6nmpW-2mqwA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 1.09A 6nmpP-2nqiA:
undetectable
6nmpW-2nqiA:
undetectable		 6nmpP-2nqiA:
18.98
6nmpW-2nqiA:
10.85
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.
2p0r CALPAIN-9

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 ARG A  20
LEU A 142
GLN A 134
PHE A 135
 None
 1.48A 6nmpP-2p0rA:
undetectable
6nmpW-2p0rA:
undetectable		 6nmpP-2p0rA:
20.94
6nmpW-2p0rA:
12.79
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		4 LEU A  67
GLN A  63
PHE A  64
PHE A 144
 None
 1.36A 6nmpP-2uy3A:
undetectable
6nmpW-2uy3A:
undetectable		 6nmpP-2uy3A:
18.03
6nmpW-2uy3A:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		4 ARG A 107
LEU A  31
GLN A  29
PHE A  32
 None
 1.45A 6nmpP-2v28A:
undetectable
6nmpW-2v28A:
undetectable		 6nmpP-2v28A:
18.37
6nmpW-2v28A:
13.25
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		4 LEU A 148
GLN A 150
PHE A 169
PHE A 140
 None
None
MAN  A 324 ( 4.4A)
None
 1.39A 6nmpP-2wedA:
undetectable
6nmpW-2wedA:
undetectable		 6nmpP-2wedA:
23.98
6nmpW-2wedA:
10.46
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 367
GLN A 366
PHE A 364
PHE A 319
 None
 1.49A 6nmpP-2xf2A:
undetectable
6nmpW-2xf2A:
undetectable		 6nmpP-2xf2A:
15.66
6nmpW-2xf2A:
5.39
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 522
GLN A 523
PHE A 500
PHE A 540
 None
 1.41A 6nmpP-2z63A:
undetectable
6nmpW-2z63A:
undetectable		 6nmpP-2z63A:
18.51
6nmpW-2z63A:
7.54
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.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU A 151
GLN A 152
PHE A 128
PHE A 170
 None
 1.28A 6nmpP-2z80A:
undetectable
6nmpW-2z80A:
undetectable		 6nmpP-2z80A:
21.33
6nmpW-2z80A:
10.12
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.
2zou SPONDIN-1

(Homo sapiens) 		PF02014
(Reeler) 		4 LEU A 177
GLN A 172
PHE A 171
PHE A  90
 EDO  A   6 (-3.8A)
EDO  A   6 (-4.9A)
None
None
 1.38A 6nmpP-2zouA:
undetectable
6nmpW-2zouA:
undetectable		 6nmpP-2zouA:
15.85
6nmpW-2zouA:
16.33
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.
3ck6 PUTATIVE MEMBRANE
TRANSPORT PROTEIN

(Vibrio
parahaemolyticus) 		PF01544
(CorA) 		4 LEU A 232
GLN A 234
PHE A 233
PHE A 225
 None
 1.42A 6nmpP-3ck6A:
4.0
6nmpW-3ck6A:
undetectable		 6nmpP-3ck6A:
17.67
6nmpW-3ck6A:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		4 ARG A 455
LEU A 520
GLN A 460
PHE A 523
 None
 1.43A 6nmpP-3cv2A:
undetectable
6nmpW-3cv2A:
undetectable		 6nmpP-3cv2A:
19.52
6nmpW-3cv2A:
9.46
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.
3fm2 UNCHARACTERIZED
PROTEIN, DISTANTLY
RELATED TO A HEME
BINDING/DEGRADING
HEMS (PF05171)
FAMILY

(Trichormus
variabilis) 		PF06228
(ChuX_HutX) 		4 LEU A  18
GLN A 101
PHE A  99
PHE A  58
 None
 1.43A 6nmpP-3fm2A:
undetectable
6nmpW-3fm2A:
undetectable		 6nmpP-3fm2A:
20.08
6nmpW-3fm2A:
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.
3fmo ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		4 LEU B 103
GLN B 102
PHE B 188
PHE B  94
 None
 1.15A 6nmpP-3fmoB:
undetectable
6nmpW-3fmoB:
undetectable		 6nmpP-3fmoB:
21.28
6nmpW-3fmoB:
13.50
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.
3fmp ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		4 LEU B 103
GLN B 102
PHE B 188
PHE B  94
 None
 1.10A 6nmpP-3fmpB:
undetectable
6nmpW-3fmpB:
undetectable		 6nmpP-3fmpB:
20.04
6nmpW-3fmpB:
7.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		4 ARG A 188
LEU A 192
GLN A 193
PHE A 196
 None
 0.77A 6nmpP-3g1zA:
undetectable
6nmpW-3g1zA:
undetectable		 6nmpP-3g1zA:
20.94
6nmpW-3g1zA:
9.85
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 LEU A 617
GLN A 619
PHE A 620
PHE A 739
 None
 1.42A 6nmpP-3k7dA:
undetectable
6nmpW-3k7dA:
undetectable		 6nmpP-3k7dA:
18.88
6nmpW-3k7dA:
7.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A 355
GLN A 356
PHE A 359
PHE A 370
 None
 1.13A 6nmpP-3kt4A:
undetectable
6nmpW-3kt4A:
undetectable		 6nmpP-3kt4A:
18.26
6nmpW-3kt4A:
7.22
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.
3lom GERANYLTRANSTRANSFER
ASE

(Legionella
pneumophila) 		PF00348
(polyprenyl_synt) 		4 ARG A 186
LEU A 228
GLN A 231
PHE A 230
 None
 1.43A 6nmpP-3lomA:
3.2
6nmpW-3lomA:
undetectable		 6nmpP-3lomA:
21.71
6nmpW-3lomA:
11.18
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacterium
smegmatis) 		PF02682
(CT_C_D) 		4 LEU B 161
GLN B 143
PHE B 165
PHE B 206
 None
 1.27A 6nmpP-3mmlB:
undetectable
6nmpW-3mmlB:
undetectable		 6nmpP-3mmlB:
19.05
6nmpW-3mmlB:
10.53
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.
3nn2 CHLORITE DISMUTASE

(Nitrospira
defluvii) 		PF06778
(Chlor_dismutase) 		4 LEU A 205
GLN A 207
PHE A 211
PHE A 198
 HEM  A 239 (-4.9A)
None
None
None
 1.46A 6nmpP-3nn2A:
undetectable
6nmpW-3nn2A:
undetectable		 6nmpP-3nn2A:
22.74
6nmpW-3nn2A:
19.44
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ARG A  32
LEU A  33
PHE A  77
PHE A 319
 None
 1.30A 6nmpP-3rj8A:
undetectable
6nmpW-3rj8A:
undetectable		 6nmpP-3rj8A:
17.99
6nmpW-3rj8A:
8.46
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 LEU A 231
GLN A 230
PHE A 204
PHE A 283
 None
 1.43A 6nmpP-3wsyA:
undetectable
6nmpW-3wsyA:
undetectable		 6nmpP-3wsyA:
16.43
6nmpW-3wsyA:
9.57
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.
4a1g MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF08311
(Mad3_BUB1_I) 		4 LEU A 142
GLN A 144
PHE A 143
PHE A 135
 None
 1.48A 6nmpP-4a1gA:
undetectable
6nmpW-4a1gA:
undetectable		 6nmpP-4a1gA:
17.91
6nmpW-4a1gA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b28 METALLOPEPTIDASE,
FAMILY M24, PUTATIVE

(Roseobacter
denitrificans) 		PF00557
(Peptidase_M24) 		4 ARG A 257
LEU A  37
GLN A  36
PHE A  39
 None
 1.44A 6nmpP-4b28A:
undetectable
6nmpW-4b28A:
undetectable		 6nmpP-4b28A:
18.12
6nmpW-4b28A:
7.26
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.
4b4d FERREDOXIN-NADP
REDUCTASE

(Xanthomonas
citri) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 LEU A 100
GLN A  37
PHE A  38
PHE A 252
 None
None
FAD  A1260 ( 3.6A)
None
 1.15A 6nmpP-4b4dA:
undetectable
6nmpW-4b4dA:
undetectable		 6nmpP-4b4dA:
20.59
6nmpW-4b4dA:
14.54
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.
4bbm CYCLIN-DEPENDENT
KINASE-LIKE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 107
GLN A 109
PHE A 108
PHE A 196
 None
 1.44A 6nmpP-4bbmA:
1.6
6nmpW-4bbmA:
undetectable		 6nmpP-4bbmA:
19.48
6nmpW-4bbmA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwr PROTEIN
CORRESPONDING TO
LOCUS C5321 FROM
CFT073 E.COLI STRAIN

(Escherichia
coli) 		PF08238
(Sel1) 		4 ARG A 332
LEU A 346
GLN A 343
PHE A 344
 None
 1.36A 6nmpP-4bwrA:
undetectable
6nmpW-4bwrA:
undetectable		 6nmpP-4bwrA:
17.16
6nmpW-4bwrA:
8.57
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 LEU P  30
GLN P  31
PHE P  34
PHE P 219
 None
 1.00A 6nmpP-4dvyP:
4.0
6nmpW-4dvyP:
undetectable		 6nmpP-4dvyP:
13.39
6nmpW-4dvyP:
5.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A  20
GLN A 156
PHE A 188
PHE A 151
 None
 1.43A 6nmpP-4gaaA:
undetectable
6nmpW-4gaaA:
undetectable		 6nmpP-4gaaA:
17.83
6nmpW-4gaaA:
6.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h5s CELL ADHESION
MOLECULE 1

(Homo sapiens) 		PF07686
(V-set) 		4 LEU B  32
GLN B  81
PHE B  79
PHE B  53
 None
 0.99A 6nmpP-4h5sB:
undetectable
6nmpW-4h5sB:
undetectable		 6nmpP-4h5sB:
15.71
6nmpW-4h5sB:
15.46
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 ARG A 328
LEU A 280
GLN A 281
PHE A 101
 None
 1.47A 6nmpP-4hkmA:
undetectable
6nmpW-4hkmA:
undetectable		 6nmpP-4hkmA:
22.32
6nmpW-4hkmA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 LEU A 605
GLN A 604
PHE A 603
PHE A 554
 None
 1.45A 6nmpP-4l37A:
undetectable
6nmpW-4l37A:
undetectable		 6nmpP-4l37A:
16.57
6nmpW-4l37A:
6.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r89 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08774
(VRR_NUC) 		4 ARG A 258
LEU A 262
GLN A 264
PHE A 263
 None
 1.20A 6nmpP-4r89A:
undetectable
6nmpW-4r89A:
undetectable		 6nmpP-4r89A:
18.96
6nmpW-4r89A:
9.23
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.
4tko EMRA

(Aquifex
aeolicus) 		PF13437
(HlyD_3)
PF13533
(Biotin_lipoyl_2) 		4 ARG B 153
LEU B 157
GLN B 159
PHE B 158
 None
 1.33A 6nmpP-4tkoB:
3.2
6nmpW-4tkoB:
1.3		 6nmpP-4tkoB:
20.45
6nmpW-4tkoB:
9.25
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.
4tlg SEC14-LIKE PROTEIN 4

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		4 LEU A 363
GLN A 291
PHE A 319
PHE A 307
 None
 1.37A 6nmpP-4tlgA:
undetectable
6nmpW-4tlgA:
undetectable		 6nmpP-4tlgA:
20.84
6nmpW-4tlgA:
10.89
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.
4tve NAUMOVOZYMA
DAIRENENSIS EPS1P

(Naumovozyma
dairenensis) 		PF00085
(Thioredoxin) 		4 ARG A 253
LEU A 243
PHE A 181
PHE A 196
 None
 1.44A 6nmpP-4tveA:
undetectable
6nmpW-4tveA:
undetectable		 6nmpP-4tveA:
20.48
6nmpW-4tveA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 ARG A 184
LEU A 271
PHE A 275
PHE A 231
 None
 1.41A 6nmpP-4ud4A:
undetectable
6nmpW-4ud4A:
undetectable		 6nmpP-4ud4A:
19.95
6nmpW-4ud4A:
10.26
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.
4xl1 DELTA-LIKE PROTEIN

(Rattus
norvegicus) 		PF01414
(DSL)
PF07657
(MNNL) 		4 LEU B 103
GLN B  31
PHE B  30
PHE B  58
 None
 1.37A 6nmpP-4xl1B:
undetectable
6nmpW-4xl1B:
undetectable		 6nmpP-4xl1B:
19.10
6nmpW-4xl1B:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xlw DELTA-LIKE PROTEIN

(Rattus
norvegicus) 		PF01414
(DSL)
PF07657
(MNNL) 		4 LEU B 103
GLN B  31
PHE B  30
PHE B  58
 None
 1.41A 6nmpP-4xlwB:
undetectable
6nmpW-4xlwB:
undetectable		 6nmpP-4xlwB:
17.65
6nmpW-4xlwB:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y99 TROPONIN T, CARDIAC
MUSCLE
TROPONIN I, CARDIAC
MUSCLE

(Homo sapiens;
Homo sapiens) 		PF00992
(Troponin)
PF00992
(Troponin)
PF11636
(Troponin-I_N) 		4 ARG C 111
LEU B 250
GLN B 251
PHE B 254
 None
 1.07A 6nmpP-4y99C:
undetectable
6nmpW-4y99C:
3.0		 6nmpP-4y99C:
15.15
6nmpW-4y99C:
14.49
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.
4z38 MLNA

(Bacillus
velezensis) 		no annotation 4 LEU A 634
GLN A 636
PHE A 635
PHE A 627
 None
 1.38A 6nmpP-4z38A:
undetectable
6nmpW-4z38A:
undetectable		 6nmpP-4z38A:
17.97
6nmpW-4z38A:
8.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7d INSCUTEABLE

(Drosophila
melanogaster) 		no annotation 4 ARG L 465
LEU L 461
PHE L 367
PHE L 468
 None
 1.42A 6nmpP-5a7dL:
6.6
6nmpW-5a7dL:
undetectable		 6nmpP-5a7dL:
19.25
6nmpW-5a7dL:
10.06
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 LEU A 195
GLN A 198
PHE A 197
PHE A 220
 None
 1.45A 6nmpP-5ahoA:
undetectable
6nmpW-5ahoA:
undetectable		 6nmpP-5ahoA:
22.35
6nmpW-5ahoA:
9.85
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.
5c9d APRICK PROTEASE

(Rickettsia
conorii) 		PF13975
(gag-asp_proteas) 		4 LEU A 156
GLN A 154
PHE A 158
PHE A 137
 None
 1.21A 6nmpP-5c9dA:
undetectable
6nmpW-5c9dA:
undetectable		 6nmpP-5c9dA:
17.54
6nmpW-5c9dA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 LEU A 419
GLN A 418
PHE A 352
PHE A 361
 None
 1.31A 6nmpP-5ecoA:
undetectable
6nmpW-5ecoA:
undetectable		 6nmpP-5ecoA:
18.30
6nmpW-5ecoA:
7.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		4 LEU A 125
GLN A 126
PHE A 124
PHE A  63
 None
 1.37A 6nmpP-5ey7A:
undetectable
6nmpW-5ey7A:
undetectable		 6nmpP-5ey7A:
21.32
6nmpW-5ey7A:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyb DNA-BINDING PROTEIN
REB1

(Schizosaccharomyces
pombe) 		PF00249
(Myb_DNA-binding) 		4 ARG A 462
LEU A 466
GLN A 464
PHE A 467
 None
 1.11A 6nmpP-5eybA:
undetectable
6nmpW-5eybA:
undetectable		 6nmpP-5eybA:
18.77
6nmpW-5eybA:
10.12
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU B 227
GLN B 228
PHE B 205
PHE B 245
 None
 1.33A 6nmpP-5gqrB:
undetectable
6nmpW-5gqrB:
undetectable		 6nmpP-5gqrB:
16.36
6nmpW-5gqrB:
7.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 ARG A 831
LEU A 826
GLN A 801
PHE A 834
 None
 1.35A 6nmpP-5gwjA:
2.2
6nmpW-5gwjA:
undetectable		 6nmpP-5gwjA:
15.12
6nmpW-5gwjA:
6.46
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		4 ARG A 291
GLN A 302
PHE A 301
PHE A 287
 None
 1.21A 6nmpP-5iw7A:
undetectable
6nmpW-5iw7A:
undetectable		 6nmpP-5iw7A:
16.60
6nmpW-5iw7A:
6.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		4 ARG C 156
LEU C 160
GLN C 161
PHE C 164
 CHD  C 307 (-4.0A)
CHD  C 307 ( 3.9A)
CHD  C 307 (-4.3A)
CHD  C 307 (-3.9A)
 0.53A 6nmpP-5iy5C:
35.7
6nmpW-5iy5C:
undetectable		 6nmpP-5iy5C:
100.00
6nmpW-5iy5C:
10.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 ARG A 138
LEU A 142
PHE A 146
PHE A 177
 None
 1.07A 6nmpP-5k04A:
undetectable
6nmpW-5k04A:
undetectable		 6nmpP-5k04A:
16.13
6nmpW-5k04A:
7.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lti HEME DEPENDENT
OXIDATIVE
N-DEMETHYLASE

(Pseudomonas
mendocina) 		PF11927
(DUF3445) 		4 ARG A 115
LEU A 113
GLN A 123
PHE A 135
 None
 1.50A 6nmpP-5ltiA:
undetectable
6nmpW-5ltiA:
undetectable		 6nmpP-5ltiA:
18.62
6nmpW-5ltiA:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mvx DELTA-LIKE PROTEIN 4

(Homo sapiens) 		PF00008
(EGF)
PF01414
(DSL)
PF07657
(MNNL) 		4 LEU A 103
GLN A  31
PHE A  30
PHE A  58
 None
 1.31A 6nmpP-5mvxA:
undetectable
6nmpW-5mvxA:
undetectable		 6nmpP-5mvxA:
19.64
6nmpW-5mvxA:
10.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvn PARAQUAT-INDUCIBLE
PROTEIN B

(Escherichia
coli) 		PF02470
(MlaD) 		4 LEU A 202
GLN A 201
PHE A 203
PHE A 250
 None
 0.96A 6nmpP-5uvnA:
undetectable
6nmpW-5uvnA:
undetectable		 6nmpP-5uvnA:
20.54
6nmpW-5uvnA:
11.78
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 4 LEU A 466
GLN A 467
PHE A 465
PHE A 505
 None
 1.18A 6nmpP-5x7uA:
undetectable
6nmpW-5x7uA:
undetectable		 6nmpP-5x7uA:
undetectable
6nmpW-5x7uA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 ARG C 391
LEU C 368
PHE C 369
PHE C 383
 None
 1.32A 6nmpP-5y3rC:
undetectable
6nmpW-5y3rC:
undetectable		 6nmpP-5y3rC:
5.03
6nmpW-5y3rC:
1.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z1w POLYCYSTIC KIDNEY
DISEASE 2-LIKE 1
PROTEIN

(Mus musculus) 		no annotation 4 LEU A 200
GLN A 202
PHE A 302
PHE A 160
 None
 1.29A 6nmpP-5z1wA:
6.6
6nmpW-5z1wA:
undetectable		 6nmpP-5z1wA:
undetectable
6nmpW-5z1wA:
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.
6a91 -

(-) 		no annotation 4 LEU A1346
GLN A1348
PHE A1347
PHE A1339
 None
 1.04A 6nmpP-6a91A:
5.3
6nmpW-6a91A:
undetectable		 6nmpP-6a91A:
undetectable
6nmpW-6a91A:
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.
6d6v TELOMERASE-ASSOCIATE
D PROTEIN 82

(Tetrahymena
thermophila) 		no annotation 4 LEU D 541
GLN D 592
PHE D 590
PHE D 643
 None
 1.39A 6nmpP-6d6vD:
undetectable
6nmpW-6d6vD:
undetectable		 6nmpP-6d6vD:
undetectable
6nmpW-6d6vD:
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.
6f5d ATP SYNTHASE GAMMA
SUBUNIT

(Trypanosoma
brucei) 		no annotation 4 ARG G 257
LEU G 254
GLN G 255
PHE G  17
 None
 1.37A 6nmpP-6f5dG:
3.2
6nmpW-6f5dG:
undetectable		 6nmpP-6f5dG:
undetectable
6nmpW-6f5dG:
undetectable