SIMILAR PATTERNS OF AMINO ACIDS FOR 3FL9_D_TOPD200_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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 293
LEU A 270
ILE A 297
LEU A 308
TYR A 112
 None
 1.28A 3fl9D-1b9hA:
undetectable		 3fl9D-1b9hA:
14.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  22
GLU A  30
LEU A  67
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
None
 0.79A 3fl9D-1dr6A:
20.4		 3fl9D-1dr6A:
32.28
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.
1ef9 METHYLMALONYL COA
DECARBOXYLASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 ALA A 111
VAL A 103
ILE A 177
LEU A 178
PHE A 129
 None
 1.27A 3fl9D-1ef9A:
undetectable		 3fl9D-1ef9A:
19.78
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.
1gmi PROTEIN KINASE C,
EPSILON TYPE

(Rattus rattus) 		PF00168
(C2) 		5 LEU A  44
VAL A  73
ILE A 129
LEU A 131
PHE A 102
 None
 1.04A 3fl9D-1gmiA:
undetectable		 3fl9D-1gmiA:
20.36
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.
1gtd MTH169

(Methanothermobacter
thermautotrophicus) 		PF02700
(PurS) 		5 MET A  47
VAL A  59
ILE A  43
LEU A  67
PHE A  45
 None
 1.30A 3fl9D-1gtdA:
undetectable		 3fl9D-1gtdA:
22.02
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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 LEU A  13
VAL A  38
ILE A 172
LEU A 170
PHE A 218
 None
 1.39A 3fl9D-1l6rA:
undetectable		 3fl9D-1l6rA:
21.08
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 MET A   8
LEU A 123
ILE A  21
LEU A  64
PHE A   9
 None
 1.31A 3fl9D-1mozA:
2.0		 3fl9D-1mozA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p4x STAPHYLOCOCCAL
ACCESSORY REGULATOR
A HOMOLOGUE

(Staphylococcus
aureus) 		no annotation 5 LEU A 239
ILE A 150
LEU A 154
PHE A 161
TYR A   3
 None
 1.45A 3fl9D-1p4xA:
undetectable		 3fl9D-1p4xA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 745
LEU A 758
ILE A 804
LEU A 766
PHE A 800
 None
 1.29A 3fl9D-1qgrA:
undetectable		 3fl9D-1qgrA:
12.11
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 ALA A 412
GLU A 471
VAL A 211
LEU A 343
PHE A 503
 None
 1.21A 3fl9D-1qxpA:
undetectable		 3fl9D-1qxpA:
9.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
 0.99A 3fl9D-1u71A:
20.7		 3fl9D-1u71A:
33.33
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.
1zit TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg) 		5 ALA A 116
VAL A   4
ILE A  20
LEU A  17
PHE A 109
 None
 1.47A 3fl9D-1zitA:
undetectable		 3fl9D-1zitA:
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.
2apn PROTEIN HI1723

(Haemophilus
influenzae) 		PF01521
(Fe-S_biosyn) 		5 ALA A  15
LEU A  33
VAL A  84
ILE A  71
LEU A  79
 None
 1.37A 3fl9D-2apnA:
undetectable		 3fl9D-2apnA:
16.86
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
LEU A  45
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 1.10A 3fl9D-2blbA:
20.0		 3fl9D-2blbA:
25.81
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ALA A 186
VAL A  42
ILE A 145
LEU A 141
PHE A 179
 None
 1.46A 3fl9D-2eb0A:
undetectable		 3fl9D-2eb0A:
22.11
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A 410
LEU A 319
ILE A 306
LEU A 310
PHE A 387
 None
 1.21A 3fl9D-2g3nA:
undetectable		 3fl9D-2g3nA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 LEU B 105
VAL B  82
ILE B 172
LEU B 151
PHE B 174
 None
 1.42A 3fl9D-2j3rB:
undetectable		 3fl9D-2j3rB:
23.76
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.
2n9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF00439
(Bromodomain) 		5 MET A  78
ALA A  82
LEU A  25
VAL A  51
PHE A  18
 None
 1.39A 3fl9D-2n9gA:
undetectable		 3fl9D-2n9gA:
20.36
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
LEU A  25
ILE A  62
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
 0.90A 3fl9D-2oipA:
21.0		 3fl9D-2oipA:
17.18
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 LEU A 207
VAL A 251
ILE A 239
LEU A 265
PHE A 226
 None
 1.31A 3fl9D-2p4zA:
undetectable		 3fl9D-2p4zA:
19.86
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.
2p6d DIPHTHINE SYNTHASE

(Pyrococcus
horikoshii) 		PF00590
(TP_methylase) 		5 MET A 182
ALA A 178
VAL A 203
ILE A 152
PHE A 197
 None
 1.49A 3fl9D-2p6dA:
undetectable		 3fl9D-2p6dA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		9 MET A   6
ALA A   8
LEU A  21
GLU A  28
VAL A  32
ILE A  51
LEU A  55
PHE A  96
TYR A 102
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.9A)
None
 0.67A 3fl9D-2qk8A:
28.3		 3fl9D-2qk8A:
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 ALA A 796
LEU A 798
ILE A 763
LEU A 764
PHE A 788
 None
 1.36A 3fl9D-2qmaA:
undetectable		 3fl9D-2qmaA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		5 ALA A 745
LEU A 758
ILE A 804
LEU A 766
PHE A 800
 None
 1.26A 3fl9D-2qnaA:
undetectable		 3fl9D-2qnaA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		5 MET A 275
ALA A 261
VAL A 384
LEU A 312
PHE A 388
 None
 1.28A 3fl9D-2r9yA:
undetectable		 3fl9D-2r9yA:
16.05
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.
2rvj EPITHELIAL SPLICING
REGULATORY PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 504
VAL A 520
ILE A 461
LEU A 452
PHE A 464
 None
 0.81A 3fl9D-2rvjA:
undetectable		 3fl9D-2rvjA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
ILE A  50
LEU A  54
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
 0.68A 3fl9D-2w9sA:
25.2		 3fl9D-2w9sA:
44.24
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 ALA A  38
GLU A 141
VAL A 145
ILE A 159
PHE A 153
 None
 1.14A 3fl9D-2wsmA:
3.4		 3fl9D-2wsmA:
22.17
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.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 MET A 348
ALA A 329
LEU A 326
ILE A  72
LEU A  76
 None
 1.37A 3fl9D-2xn6A:
undetectable		 3fl9D-2xn6A:
18.50
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ALA A 495
LEU A 501
ILE A 528
LEU A 530
PHE A 519
 None
 1.25A 3fl9D-2z7xA:
undetectable		 3fl9D-2z7xA:
13.97
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.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 ALA A 644
VAL A 647
ILE A 683
LEU A 677
PHE A 591
 None
 1.41A 3fl9D-3a5iA:
undetectable		 3fl9D-3a5iA:
17.41
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.
3al0 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermotoga
maritima) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 ALA B  66
LEU B 106
VAL B 181
ILE B  11
LEU B 196
 None
 1.32A 3fl9D-3al0B:
undetectable		 3fl9D-3al0B:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay3 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Chromohalobacter
salexigens) 		PF01370
(Epimerase) 		5 ALA A 191
LEU A  25
VAL A 106
ILE A  18
LEU A  70
 None
 1.14A 3fl9D-3ay3A:
undetectable		 3fl9D-3ay3A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay3 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Chromohalobacter
salexigens) 		PF01370
(Epimerase) 		5 ALA A 191
LEU A  25
VAL A 106
LEU A  70
PHE A 184
 None
 1.45A 3fl9D-3ay3A:
undetectable		 3fl9D-3ay3A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gc6 ECTO-NAD+
GLYCOHYDROLASE (CD38
MOLECULE)

(Bos taurus) 		PF02267
(Rib_hydrolayse) 		5 ALA A 219
LEU A 256
VAL A 198
ILE A 249
LEU A 232
 None
 1.38A 3fl9D-3gc6A:
undetectable		 3fl9D-3gc6A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Homo sapiens) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 LEU A 194
GLU A 281
VAL A 280
ILE A 212
LEU A 213
 None
 1.49A 3fl9D-3h68A:
undetectable		 3fl9D-3h68A:
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 LEU A 348
VAL A 353
ILE A 291
LEU A 305
PHE A 303
 None
 1.34A 3fl9D-3hbzA:
undetectable		 3fl9D-3hbzA:
16.86
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.
3hdu PUTATIVE
THIOESTERASE

(Syntrophus
aciditrophicus) 		PF03061
(4HBT) 		5 MET A  47
VAL A  64
ILE A 146
LEU A 138
PHE A 118
 None
 1.32A 3fl9D-3hduA:
undetectable		 3fl9D-3hduA:
22.78
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 LEU A 246
VAL A 511
ILE A 223
LEU A 230
PHE A 241
 None
 1.39A 3fl9D-3hjrA:
undetectable		 3fl9D-3hjrA:
11.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
VAL X  31
ILE X  50
LEU X  54
PHE X  92
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
None
 0.68A 3fl9D-3i8aX:
25.5		 3fl9D-3i8aX:
46.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
GLU A  28
ILE A  51
LEU A  55
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 0.54A 3fl9D-3ia4A:
25.8		 3fl9D-3ia4A:
44.85
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 LEU A 597
VAL A 713
ILE A 649
LEU A 586
PHE A 720
 None
 1.19A 3fl9D-3jbyA:
undetectable		 3fl9D-3jbyA:
10.33
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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		5 ALA B 113
LEU B 110
VAL B 236
LEU B 151
PHE B 106
 None
 1.11A 3fl9D-3napB:
undetectable		 3fl9D-3napB:
17.31
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 LEU A 497
VAL A 442
ILE A 489
LEU A 446
PHE A 513
 None
 1.29A 3fl9D-3nzpA:
undetectable		 3fl9D-3nzpA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p5s CD38 MOLECULE

(Bos taurus) 		PF02267
(Rib_hydrolayse) 		5 ALA A 219
LEU A 256
VAL A 198
ILE A 249
LEU A 232
 None
 1.36A 3fl9D-3p5sA:
undetectable		 3fl9D-3p5sA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ALA A 143
LEU A  90
VAL A 137
ILE A  62
PHE A 151
 None
 1.38A 3fl9D-3q3cA:
undetectable		 3fl9D-3q3cA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 LEU A 146
ILE A  72
LEU A  28
PHE A  76
TYR A 117
 None
 1.01A 3fl9D-3q3hA:
undetectable		 3fl9D-3q3hA:
15.64
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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG

(Mus musculus) 		PF14631
(FancD2) 		5 MET B 579
LEU B 561
ILE B 571
LEU B 519
PHE B 531
 None
 1.32A 3fl9D-3s4wB:
undetectable		 3fl9D-3s4wB:
8.23
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		5 ALA A 413
LEU A  12
VAL A 379
ILE A 246
LEU A 314
 None
 1.50A 3fl9D-3sweA:
undetectable		 3fl9D-3sweA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc1 OCTAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 ALA A 276
VAL A 302
ILE A 167
LEU A  38
PHE A 192
 None
 1.38A 3fl9D-3tc1A:
undetectable		 3fl9D-3tc1A:
20.26
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 ALA A 241
VAL A 174
ILE A 264
LEU A 185
PHE A 225
 None
 1.34A 3fl9D-3tktA:
undetectable		 3fl9D-3tktA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ALA A 357
LEU A 382
ILE A 271
LEU A 370
PHE A 365
 None
 1.46A 3fl9D-3v5rA:
undetectable		 3fl9D-3v5rA:
17.74
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 ALA A 457
VAL A 407
ILE A 435
LEU A 420
PHE A 433
 None
 1.31A 3fl9D-3zvtA:
undetectable		 3fl9D-3zvtA:
14.56
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.
4avc LYSINE
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		5 MET A  18
LEU A 131
ILE A 124
LEU A  32
PHE A  21
 None
PEG  A1335 (-4.3A)
None
None
None
 1.24A 3fl9D-4avcA:
undetectable		 3fl9D-4avcA:
17.48
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 ALA A 177
VAL A 204
ILE A 261
PHE A 109
TYR A 137
 None
 1.23A 3fl9D-4c89A:
undetectable		 3fl9D-4c89A:
18.52
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		5 ALA A  78
LEU A 205
ILE A 132
LEU A 122
TYR A 197
 None
 1.19A 3fl9D-4fdyA:
undetectable		 3fl9D-4fdyA:
18.71
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
 0.82A 3fl9D-4g8zX:
20.0		 3fl9D-4g8zX:
28.57
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 LEU X  25
GLU X  32
ILE X  65
LEU X  72
TYR X 129
 TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
None
 1.10A 3fl9D-4g8zX:
20.0		 3fl9D-4g8zX:
28.57
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
GLU A  32
ILE A  62
LEU A  69
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
None
 0.90A 3fl9D-4h98A:
19.0		 3fl9D-4h98A:
29.28
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.
4hd1 SQUALENE SYNTHASE
HPNC

(Alicyclobacillus
acidocaldarius) 		PF00494
(SQS_PSY) 		5 ALA A  46
ILE A  93
LEU A  98
PHE A 103
TYR A  69
 None
 1.13A 3fl9D-4hd1A:
undetectable		 3fl9D-4hd1A:
18.60
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 ALA A 150
VAL A 257
ILE A 390
LEU A 387
PHE A 404
 None
 1.49A 3fl9D-4j6cA:
undetectable		 3fl9D-4j6cA:
16.79
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		5 MET A  58
ALA A  52
VAL A 390
ILE A  74
LEU A  95
 None
 1.35A 3fl9D-4k9sA:
undetectable		 3fl9D-4k9sA:
16.49
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 128
VAL A 482
ILE A 259
LEU A 255
PHE A 484
 None
 1.35A 3fl9D-4l52A:
undetectable		 3fl9D-4l52A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 ALA A  58
LEU A 306
ILE A  95
LEU A  77
PHE A  45
 None
 1.45A 3fl9D-4p2bA:
undetectable		 3fl9D-4p2bA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3i OSSERK2 D128N

(Oryza sativa) 		PF08263
(LRRNT_2)
PF11921
(DUF3439) 		5 LEU A 177
VAL A 185
ILE A 199
LEU A 220
PHE A 190
 None
 1.29A 3fl9D-4q3iA:
undetectable		 3fl9D-4q3iA:
20.26
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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		5 ALA A 398
LEU A 370
VAL A 358
ILE A 415
LEU A 334
 None
 1.41A 3fl9D-4q76A:
undetectable		 3fl9D-4q76A:
16.32
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 ALA D  93
LEU D 123
ILE D  59
LEU D  63
PHE D 131
 None
 1.01A 3fl9D-4qiwD:
undetectable		 3fl9D-4qiwD:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r8x URICASE

(Bacillus
fastidiosus) 		PF01014
(Uricase) 		5 ALA A 224
LEU A  22
GLU A 226
VAL A 144
TYR A 208
 None
 0.82A 3fl9D-4r8xA:
undetectable		 3fl9D-4r8xA:
21.56
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 MET A  23
LEU A 125
ILE A  60
LEU A  51
PHE A  26
 None
 1.18A 3fl9D-4rctA:
undetectable		 3fl9D-4rctA:
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.
4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF00028
(Cadherin) 		5 ALA A 294
LEU A 296
VAL A 374
LEU A 319
PHE A 329
 None
 1.26A 3fl9D-4ux8A:
undetectable		 3fl9D-4ux8A:
11.53
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.
4ylg ADP-RIBOSYLATION
FACTOR

(Entamoeba
histolytica) 		PF00025
(Arf) 		5 ALA A  83
LEU A 118
ILE A  29
LEU A  33
PHE A  59
 None
 1.37A 3fl9D-4ylgA:
undetectable		 3fl9D-4ylgA:
23.36
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.
4zon VERRUCULOGEN
SYNTHASE

(Aspergillus
fumigatus) 		PF05721
(PhyH) 		5 ALA A 101
VAL A  18
ILE A 198
LEU A  33
TYR A 109
 None
 1.38A 3fl9D-4zonA:
undetectable		 3fl9D-4zonA:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 MET A   5
ALA A   7
GLU A  27
LEU A  53
TYR A 102
 5N1  A 202 (-4.8A)
5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 ( 4.7A)
None
 0.78A 3fl9D-5ecxA:
22.9		 3fl9D-5ecxA:
31.90
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 ALA A 281
VAL A 310
ILE A 264
LEU A 304
PHE A 325
 None
 1.19A 3fl9D-5ey8A:
undetectable		 3fl9D-5ey8A:
14.60
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ALA A 253
LEU A 220
ILE A 264
LEU A 288
PHE A 292
 None
 1.32A 3fl9D-5h2vA:
undetectable		 3fl9D-5h2vA:
9.18
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 159
LEU A 235
LEU A 442
PHE A 302
TYR A 270
 None
 1.39A 3fl9D-5lp4A:
undetectable		 3fl9D-5lp4A:
14.26
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.
5vkw ADENYLOSUCCINATE
LYASE

(Candida
albicans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ALA A 143
LEU A 139
VAL A 165
ILE A 266
LEU A 269
 None
 1.41A 3fl9D-5vkwA:
undetectable		 3fl9D-5vkwA:
15.35
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.
5weg UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Saccharum
hybrid cultivar) 		no annotation 5 LEU A 476
VAL A 431
ILE A 441
LEU A 443
PHE A 437
 None
 1.37A 3fl9D-5wegA:
undetectable		 3fl9D-5wegA:
19.28
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 GLU A 628
ILE A 560
LEU A 592
PHE A 909
TYR A1044
 None
 1.21A 3fl9D-5wlhA:
undetectable		 3fl9D-5wlhA:
7.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
 None
 1.15A 3fl9D-5y2vA:
undetectable		 3fl9D-5y2vA:
17.37
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.
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
 None
 1.22A 3fl9D-5y2wA:
undetectable		 3fl9D-5y2wA:
22.09
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 ALA C3349
LEU C3377
GLU C3352
VAL C3297
ILE C3336
 None
 1.34A 3fl9D-5y3rC:
undetectable		 3fl9D-5y3rC:
3.49
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.
5z72 CCPC

(Bacillus
velezensis) 		no annotation 5 LEU A 159
VAL A 109
ILE A 143
LEU A  95
PHE A 279
 None
 1.34A 3fl9D-5z72A:
undetectable		 3fl9D-5z72A:
15.29
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 ALA A 269
GLU A 251
VAL A 143
ILE A 245
LEU A  16
 None
 1.06A 3fl9D-6bvgA:
undetectable		 3fl9D-6bvgA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dbr -

(-) 		no annotation 5 LEU A 597
VAL A 713
ILE A 649
LEU A 586
PHE A 720
 None
 1.26A 3fl9D-6dbrA:
undetectable		 3fl9D-6dbrA:
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
 0.53A 3fl9D-6e4eA:
25.5		 3fl9D-6e4eA:
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.
6ewi CENTROSOMAL PROTEIN
120

(Oreochromis
niloticus) 		no annotation 5 ALA A 292
LEU A 338
ILE A 253
LEU A 227
PHE A 263
 None
 1.27A 3fl9D-6ewiA:
undetectable		 3fl9D-6ewiA:
21.62
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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA U 103
LEU U  23
ILE U 200
LEU U 196
PHE U 167
 None
 1.47A 3fl9D-6ezmU:
undetectable		 3fl9D-6ezmU:
19.28