SIMILAR PATTERNS OF AMINO ACIDS FOR 1R15_H_NCAH489_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.
1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		3 TRP A 165
PHE A 161
TRP A 101
 None
EPE  A 309 ( 4.9A)
EPE  A 309 (-4.1A)
 1.49A 1r15H-1ajkA:
0.0		 1r15H-1ajkA:
22.01
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		3 TRP A 219
PHE A 223
TRP A 224
 None
 1.08A 1r15H-1amoA:
3.6		 1r15H-1amoA:
17.86
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.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		3 TRP A 159
PHE A 163
TRP A 164
 None
 1.03A 1r15H-1b1cA:
4.0		 1r15H-1b1cA:
23.40
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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		3 TRP A  87
PHE A  92
TRP A  88
 None
 1.21A 1r15H-1bw0A:
1.1		 1r15H-1bw0A:
20.51
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.
1cpn CIRCULARLY PERMUTED

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		3 TRP A 188
PHE A 184
TRP A 126
 None
 1.48A 1r15H-1cpnA:
undetectable		 1r15H-1cpnA:
21.69
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.
1ey2 HOMOGENTISATE
1,2-DIOXYGENASE

(Homo sapiens) 		PF04209
(HgmA) 		3 TRP A 411
PHE A 100
TRP A  97
 None
 1.48A 1r15H-1ey2A:
0.0		 1r15H-1ey2A:
21.02
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.
1fyv TOLL-LIKE RECEPTOR 1

(Homo sapiens) 		PF01582
(TIR) 		3 TRP A 758
PHE A 768
TRP A 769
 None
 1.22A 1r15H-1fyvA:
0.0		 1r15H-1fyvA:
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.
1gbg (1,3-1,4)-BETA-D-GLU
CAN 4
GLUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		3 TRP A  34
PHE A  30
TRP A 184
 None
 1.47A 1r15H-1gbgA:
undetectable		 1r15H-1gbgA:
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.
1gw1 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		3 TRP A 294
PHE A 295
TRP A 337
 None
 1.44A 1r15H-1gw1A:
2.2		 1r15H-1gw1A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikf IGG1-KAPPA R45-45-11
FAB (HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP H 112
PHE H  50
TRP H  47
 None
 1.16A 1r15H-1ikfH:
undetectable		 1r15H-1ikfH:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		3 TRP A 111
PHE A 139
TRP A 140
 None
None
NCA  A 303 (-4.0A)
 0.29A 1r15H-1ismA:
28.7		 1r15H-1ismA:
33.08
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.
1jif BLEOMYCIN-BINDING
PROTEIN

(Streptomyces
verticillus) 		no annotation 3 TRP A  78
PHE A  29
TRP A  23
 None
 1.46A 1r15H-1jifA:
undetectable		 1r15H-1jifA:
19.77
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.
1kcg ULBP3 PROTEIN

(Homo sapiens) 		PF00129
(MHC_I) 		3 TRP C 138
PHE C 162
TRP C 119
 None
 1.06A 1r15H-1kcgC:
undetectable		 1r15H-1kcgC:
25.00
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.
1mac 1,3-1,4-BETA-D-GLUCA
N 4-GLUCANOHYDROLASE

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		3 TRP A  32
PHE A  28
TRP A 182
 None
 1.42A 1r15H-1macA:
undetectable		 1r15H-1macA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 TRP X  79
PHE X 568
TRP X  76
 None
 1.39A 1r15H-1mw9X:
undetectable		 1r15H-1mw9X:
17.20
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 TRP A 309
PHE A 312
TRP A 314
 None
 1.37A 1r15H-1tezA:
undetectable		 1r15H-1tezA:
17.97
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.
1u10 PENICILLIN-INSENSITI
VE MUREIN
ENDOPEPTIDASE

(Escherichia
coli) 		PF03411
(Peptidase_M74) 		3 TRP A 242
PHE A 204
TRP A 203
 None
 1.26A 1r15H-1u10A:
undetectable		 1r15H-1u10A:
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.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		3 TRP A  47
PHE A 397
TRP A 391
 None
GOL  A1435 (-4.2A)
None
 0.82A 1r15H-1uz4A:
undetectable		 1r15H-1uz4A:
21.81
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY

(Nostoc sp. PCC
7120) 		PF13472
(Lipase_GDSL_2) 		3 TRP A 204
PHE A 205
TRP A 201
 None
 1.45A 1r15H-1vjgA:
undetectable		 1r15H-1vjgA:
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.
1y9g EXO-INULINASE

(Aspergillus
awamori) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 TRP A  70
PHE A  55
TRP A 163
 None
 1.41A 1r15H-1y9gA:
undetectable		 1r15H-1y9gA:
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 TRP A 184
PHE A 181
TRP A 159
 None
 0.79A 1r15H-2aeyA:
undetectable		 1r15H-2aeyA:
19.06
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.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		3 TRP A  40
PHE A  83
TRP A  79
 None
 1.23A 1r15H-2detA:
undetectable		 1r15H-2detA:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eg9 ADP-RIBOSYL CYCLASE
1

(Mus musculus) 		PF02267
(Rib_hydrolayse) 		3 TRP A 163
PHE A 192
TRP A 193
 None
 0.35A 1r15H-2eg9A:
9.2		 1r15H-2eg9A:
31.52
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.
2hma PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF03054
(tRNA_Me_trans) 		3 TRP A  41
PHE A  84
TRP A  80
 None
 1.28A 1r15H-2hmaA:
undetectable		 1r15H-2hmaA:
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.
2j67 TOLL LIKE RECEPTOR
10

(Homo sapiens) 		PF01582
(TIR) 		3 TRP A 757
PHE A 767
TRP A 768
 None
 1.15A 1r15H-2j67A:
undetectable		 1r15H-2j67A:
20.61
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.
2lzq NS2 PEPTIDE

(Hepatitis GB
virus B) 		no annotation 3 TRP A  13
PHE A  17
TRP A  18
 None
 1.42A 1r15H-2lzqA:
undetectable		 1r15H-2lzqA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o0x 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00275
(EPSP_synthase) 		3 TRP A   4
PHE A 415
TRP A 419
 None
 1.25A 1r15H-2o0xA:
undetectable		 1r15H-2o0xA:
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		3 TRP B 512
PHE B 557
TRP B  89
 None
 1.02A 1r15H-2p1nB:
undetectable		 1r15H-2p1nB:
18.32
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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 TRP A 186
PHE A 183
TRP A 161
 None
 0.75A 1r15H-2qquA:
undetectable		 1r15H-2qquA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		3 TRP A 229
PHE A 227
TRP A 167
 None
 1.45A 1r15H-2vx4A:
undetectable		 1r15H-2vx4A:
20.15
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.
2wfh SLIT HOMOLOG 2
PROTEIN C-PRODUCT

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		3 TRP A 869
PHE A 845
TRP A 873
 None
 1.04A 1r15H-2wfhA:
undetectable		 1r15H-2wfhA:
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.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
brockianus) 		PF02446
(Glyco_hydro_77) 		3 TRP A 196
PHE A 210
TRP A  44
 None
 1.35A 1r15H-2x1iA:
undetectable		 1r15H-2x1iA:
19.16
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.
3dxo UNCHARACTERIZED
SNOAL-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF12680
(SnoaL_2) 		3 TRP A  15
PHE A  66
TRP A  83
 PEG  A 122 ( 3.8A)
PEG  A 122 (-3.9A)
PEG  A 122 (-3.3A)
 1.50A 1r15H-3dxoA:
undetectable		 1r15H-3dxoA:
18.29
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.
3f9s PUTATIVE POLYKETIDE
CYCLASE

(Acidithiobacillus
ferrooxidans) 		PF07366
(SnoaL) 		3 TRP A  87
PHE A  71
TRP A  89
 None
GOL  A 146 ( 4.9A)
None
 1.33A 1r15H-3f9sA:
undetectable		 1r15H-3f9sA:
19.43
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.
3fd9 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF16806
(ExsD) 		3 TRP A 240
PHE A 229
TRP A 210
 None
 1.48A 1r15H-3fd9A:
undetectable		 1r15H-3fd9A:
22.64
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		3 TRP A 256
PHE A  24
TRP A  28
 None
 1.37A 1r15H-3fvrA:
undetectable		 1r15H-3fvrA:
20.18
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		3 TRP A 117
PHE A 307
TRP A 276
 None
 1.38A 1r15H-3g0iA:
undetectable		 1r15H-3g0iA:
21.74
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.
3gc6 ECTO-NAD+
GLYCOHYDROLASE (CD38
MOLECULE)

(Bos taurus) 		PF02267
(Rib_hydrolayse) 		3 TRP A 151
PHE A 180
TRP A 181
 None
 0.33A 1r15H-3gc6A:
25.7		 1r15H-3gc6A:
29.80
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.
3gha DISULFIDE BOND
FORMATION PROTEIN D

(Bacillus
subtilis) 		PF13462
(Thioredoxin_4) 		3 TRP A 118
PHE A 125
TRP A 126
 None
 1.17A 1r15H-3ghaA:
undetectable		 1r15H-3ghaA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 TRP A 233
PHE A  97
TRP A 234
 None
 1.45A 1r15H-3gwjA:
undetectable		 1r15H-3gwjA:
17.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i9k ADP-RIBOSYL CYCLASE

(Aplysia
californica) 		PF02267
(Rib_hydrolayse) 		3 TRP A 111
PHE A 139
TRP A 140
 None
 0.15A 1r15H-3i9kA:
39.5		 1r15H-3i9kA:
99.61
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 TRP A 349
PHE A 312
TRP A 301
 None
None
CL  A 503 ( 4.8A)
 1.47A 1r15H-3n0qA:
undetectable		 1r15H-3n0qA:
20.69
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.
3ndy ENDOGLUCANASE D

(Clostridium
cellulovorans) 		PF00150
(Cellulase) 		3 TRP A 331
PHE A 324
TRP A  26
 None
 1.43A 1r15H-3ndyA:
undetectable		 1r15H-3ndyA:
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		3 TRP B  95
PHE B  98
TRP B  99
 None
 1.02A 1r15H-3o0rB:
undetectable		 1r15H-3o0rB:
19.06
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.
3p5s CD38 MOLECULE

(Bos taurus) 		PF02267
(Rib_hydrolayse) 		3 TRP A 151
PHE A 180
TRP A 181
 None
None
AVU  A 280 (-3.6A)
 0.31A 1r15H-3p5sA:
26.0		 1r15H-3p5sA:
28.32
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 TRP A 331
PHE A 167
TRP A 338
 None
 1.39A 1r15H-3rimA:
undetectable		 1r15H-3rimA:
15.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rom ADP-RIBOSYL CYCLASE
1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		3 TRP A 159
PHE A 188
TRP A 189
 None
 0.34A 1r15H-3romA:
25.2		 1r15H-3romA:
33.21
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 TRP X  72
PHE X  57
TRP X 149
 None
 1.39A 1r15H-3rwkX:
undetectable		 1r15H-3rwkX:
18.08
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 TRP A 530
PHE A 354
TRP A 358
 None
 1.43A 1r15H-3s9vA:
undetectable		 1r15H-3s9vA:
15.99
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.
3u2h S-LAYER PROTEIN
MA0829

(Methanosarcina
acetivorans) 		PF07752
(S-layer) 		3 TRP A 367
PHE A 358
TRP A 496
 None
 1.20A 1r15H-3u2hA:
undetectable		 1r15H-3u2hA:
19.81
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.
3voo FATTY ACID
ALPHA-HYDROXYLASE

(Sphingomonas
paucimobilis) 		PF00067
(p450) 		3 TRP A 326
PHE A 347
TRP A 340
 None
 1.46A 1r15H-3vooA:
undetectable		 1r15H-3vooA:
19.09
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		3 TRP A 229
PHE A 224
TRP A 232
 None
 1.16A 1r15H-3we7A:
2.1		 1r15H-3we7A:
22.41
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		3 TRP A 224
PHE A 219
TRP A 227
 None
HEZ  A 315 ( 4.4A)
HEZ  A 315 (-3.8A)
 1.18A 1r15H-3wl4A:
undetectable		 1r15H-3wl4A:
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.
3zyi LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF07679
(I-set)
PF13855
(LRR_8) 		3 TRP A 310
PHE A 286
TRP A 314
 None
 1.36A 1r15H-3zyiA:
undetectable		 1r15H-3zyiA:
18.62
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.
3zyn LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		3 TRP A 323
PHE A 299
TRP A 327
 None
 1.08A 1r15H-3zynA:
undetectable		 1r15H-3zynA:
23.28
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.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8) 		3 TRP A 323
PHE A 299
TRP A 327
 None
 1.21A 1r15H-3zyoA:
undetectable		 1r15H-3zyoA:
18.56
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.
4bwv PHOSPHOADENOSINE-PHO
SPHOSULPHATE
REDUCTASE

(Physcomitrella
patens) 		PF01507
(PAPS_reduct) 		3 TRP A 293
PHE A 254
TRP A 258
 PEG  A 563 ( 4.7A)
None
PEG  A 563 ( 4.3A)
 1.46A 1r15H-4bwvA:
undetectable		 1r15H-4bwvA:
21.47
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.
4f6l AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		no annotation 3 TRP B2377
PHE B2274
TRP B2381
 None
 1.50A 1r15H-4f6lB:
2.0		 1r15H-4f6lB:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		3 TRP A 266
PHE A 190
TRP A 269
 None
 1.29A 1r15H-4iuwA:
undetectable		 1r15H-4iuwA:
16.80
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 TRP A 411
PHE A 408
TRP A 380
 None
BGC  A 603 (-4.6A)
BGC  A 601 (-4.0A)
 1.45A 1r15H-4jsoA:
undetectable		 1r15H-4jsoA:
18.63
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 TRP A 505
PHE A 329
TRP A 333
 None
AG8  A 901 (-3.7A)
AG8  A 901 (-4.6A)
 1.40A 1r15H-4lixA:
undetectable		 1r15H-4lixA:
17.00
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.
4om7 TOLL-LIKE RECEPTOR 6

(Homo sapiens) 		PF01582
(TIR) 		3 TRP A 763
PHE A 773
TRP A 774
 None
 1.01A 1r15H-4om7A:
2.4		 1r15H-4om7A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p4g SHIKIMATE
5-DEHYDROGENASE AROE
(5-DEHYDROSHIKIMATE
REDUCTASE)

(Mycobacterium
tuberculosis) 		PF08501
(Shikimate_dh_N) 		3 TRP A  99
PHE A  55
TRP A  59
 None
 0.84A 1r15H-4p4gA:
2.5		 1r15H-4p4gA:
21.00
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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		3 TRP A 217
PHE A  49
TRP A  42
 PYR  A 402 ( 4.1A)
PYR  A 402 (-4.2A)
None
 1.36A 1r15H-4petA:
undetectable		 1r15H-4petA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		3 TRP A 333
PHE A 337
TRP A 341
 None
 1.01A 1r15H-4qi4A:
undetectable		 1r15H-4qi4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 TRP A 333
PHE A 337
TRP A 341
 None
 1.04A 1r15H-4qi6A:
undetectable		 1r15H-4qi6A:
15.47
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 TRP A 333
PHE A 337
TRP A 341
 None
 1.14A 1r15H-4qi7A:
undetectable		 1r15H-4qi7A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		3 TRP A  79
PHE A 568
TRP A  76
 None
 1.37A 1r15H-4rulA:
undetectable		 1r15H-4rulA:
14.82
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.
4u1f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF08662
(eIF2A) 		3 TRP A 455
PHE A 462
TRP A 499
 None
 1.49A 1r15H-4u1fA:
undetectable		 1r15H-4u1fA:
18.76
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.
4w8h TOLL-RECEPTOR-RELATE
D 2

(Hydra vulgaris) 		PF13676
(TIR_2) 		3 TRP A 201
PHE A 210
TRP A 211
 None
 1.23A 1r15H-4w8hA:
3.4		 1r15H-4w8hA:
14.73
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.
4z9r OMEGA-3
POLYUNSATURATED
FATTY ACID SYNTHASE
SUBUNIT PFAD

(Shewanella
oneidensis) 		PF03060
(NMO) 		3 TRP A  21
PHE A  80
TRP A  19
 None
 1.31A 1r15H-4z9rA:
undetectable		 1r15H-4z9rA:
19.02
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		3 TRP A 196
PHE A 194
TRP A 136
 None
 1.48A 1r15H-4zxoA:
undetectable		 1r15H-4zxoA:
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.
5bni UNCHARACTERIZED
PROTEIN

(Sus scrofa) 		PF02267
(Rib_hydrolayse) 		3 TRP A 164
PHE A 192
TRP A 193
 None
 0.44A 1r15H-5bniA:
24.9		 1r15H-5bniA:
28.74
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		3 TRP A 500
PHE A 267
TRP A 271
 None
 1.45A 1r15H-5bp8A:
undetectable		 1r15H-5bp8A:
19.58
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		3 TRP A 211
PHE A  43
TRP A  36
 None
PYR  A 401 ( 4.2A)
None
 1.27A 1r15H-5cm6A:
undetectable		 1r15H-5cm6A:
20.32
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.
5d68 KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF00373
(FERM_M)
PF13857
(Ank_5) 		3 TRP A 322
PHE A 361
TRP A 330
 None
 1.34A 1r15H-5d68A:
undetectable		 1r15H-5d68A:
19.56
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		3 TRP A 353
PHE A 328
TRP A 248
 None
 1.41A 1r15H-5egeA:
undetectable		 1r15H-5egeA:
21.54
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.
5fo3 CELL DIVISION
PROTEIN ZAPC

(Escherichia
coli) 		PF07126
(ZapC) 		3 TRP A  11
PHE A  49
TRP A   9
 None
 1.22A 1r15H-5fo3A:
undetectable		 1r15H-5fo3A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		3 TRP A  21
PHE A  24
TRP A  52
 None
 1.42A 1r15H-5fwjA:
undetectable		 1r15H-5fwjA:
21.03
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 TRP A 353
PHE A 316
TRP A 305
 None
 1.43A 1r15H-5hl4A:
undetectable		 1r15H-5hl4A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i9q 3BNC55 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP B 103
PHE B 100
TRP B  37
 None
 1.30A 1r15H-5i9qB:
undetectable		 1r15H-5i9qB:
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.
5kn7 LIPID A BIOSYNTHESIS
LAUROYL
ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF03279
(Lip_A_acyltrans) 		3 TRP B  86
PHE B  82
TRP B 126
 None
None
GOL  B 409 (-4.6A)
 1.47A 1r15H-5kn7B:
undetectable		 1r15H-5kn7B:
20.92
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.
5mev INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
HOMOLOG,INDUCED
MYELOID LEUKEMIA
CELL DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens;
Mus musculus) 		PF00452
(Bcl-2) 		3 TRP A 261
PHE A 315
TRP A 312
 None
 1.19A 1r15H-5mevA:
undetectable		 1r15H-5mevA:
22.53
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.
5n9y ZINC TRANSPORT
PROTEIN ZNTB

(Escherichia
coli) 		no annotation 3 TRP A  42
PHE A  16
TRP A  18
 None
 1.31A 1r15H-5n9yA:
undetectable		 1r15H-5n9yA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		3 TRP A  15
PHE A  24
TRP A  70
 None
 1.32A 1r15H-5swnA:
undetectable		 1r15H-5swnA:
23.70
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.
5t09 TYPE III SECRETION
SYSTEM EFFECTOR
HOPBA1

(Pseudomonas
syringae) 		no annotation 3 TRP A 119
PHE A  84
TRP A 112
 None
 1.18A 1r15H-5t09A:
undetectable		 1r15H-5t09A:
21.16
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 3 TRP A 257
PHE A 249
TRP A 261
 None
 1.31A 1r15H-5ta1A:
undetectable		 1r15H-5ta1A:
17.71
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.
5tfz DIMETHYLSULFONIOPROP
IONATE LYASE DDDK

(Candidatus
Pelagibacter
ubique) 		PF07883
(Cupin_2) 		3 TRP A 110
PHE A 117
TRP A  26
 7BC  A 202 ( 4.3A)
7BC  A 202 ( 4.9A)
7BC  A 202 (-3.6A)
 1.26A 1r15H-5tfzA:
undetectable		 1r15H-5tfzA:
18.92
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.
5txe ATXE2

(Asticcacaulis
excentricus) 		PF00326
(Peptidase_S9) 		3 TRP A 586
PHE A 585
TRP A 493
 None
 1.31A 1r15H-5txeA:
undetectable		 1r15H-5txeA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8m ANTIBODY 3BNC117,
HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		3 TRP H 103
PHE H 100
TRP H  37
 None
 1.28A 1r15H-5v8mH:
undetectable		 1r15H-5v8mH:
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		3 TRP A 124
PHE A 184
TRP A 139
 None
 1.13A 1r15H-5veoA:
undetectable		 1r15H-5veoA:
19.91
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.
5wzk PUMILIO HOMOLOG 23

(Arabidopsis
thaliana) 		no annotation 3 TRP A 456
PHE A 443
TRP A 458
 None
 1.44A 1r15H-5wzkA:
undetectable		 1r15H-5wzkA:
18.28
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 3 TRP B 112
PHE B 116
TRP B 154
 None
 1.44A 1r15H-5yllB:
2.5		 1r15H-5yllB:
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.
5z72 CCPC

(Bacillus
velezensis) 		no annotation 3 TRP A 200
PHE A 205
TRP A 201
 None
 0.93A 1r15H-5z72A:
undetectable		 1r15H-5z72A:
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 3 TRP A  26
PHE A  29
TRP A  57
 None
 1.43A 1r15H-6bgzA:
undetectable		 1r15H-6bgzA:
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT C''

(Saccharomyces
cerevisiae) 		no annotation 3 TRP C  59
PHE C 146
TRP C 147
 None
 0.83A 1r15H-6c6lC:
undetectable		 1r15H-6c6lC:
undetectable