SIMILAR PATTERNS OF AMINO ACIDS FOR 2W9G_A_TOPA1159_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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 431
LEU C 429
VAL C 421
PHE C 491
THR C 152
 None
 1.12A 2w9gA-1a5lC:
undetectable		 2w9gA-1a5lC:
14.80
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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E) 		PF00073
(Rhv) 		5 LEU 3 165
LEU 3  53
LEU 3  84
VAL 3 194
ILE 3  69
 None
 1.08A 2w9gA-1bev3:
undetectable		 2w9gA-1bev3:
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.
1bry BRYODIN I

(Bryonia dioica) 		PF00161
(RIP) 		5 LEU Y 151
ALA Y 135
LEU Y 132
LEU Y  52
SER Y 161
 None
 1.14A 2w9gA-1bryY:
undetectable		 2w9gA-1bryY:
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ALA A 396
LEU A 299
VAL A 295
SER A 366
ILE A 352
 AMP  A 800 (-4.1A)
None
None
None
None
 1.14A 2w9gA-1c0aA:
undetectable		 2w9gA-1c0aA:
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  22
SER A  59
ILE A  60
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.93A 2w9gA-1dr6A:
20.4		 2w9gA-1dr6A:
27.96
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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 LEU A 130
LEU A 217
LEU A 181
VAL A 184
PHE A 197
 None
FMA  A 233 ( 4.8A)
FMA  A 233 (-4.3A)
FMA  A 233 (-4.2A)
None
 1.05A 2w9gA-1fvpA:
undetectable		 2w9gA-1fvpA:
21.25
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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 VAL A  77
SER A  62
ILE A  65
PHE A  69
THR A 189
 None
 1.14A 2w9gA-1g1aA:
undetectable		 2w9gA-1g1aA:
19.54
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 LEU A 145
LEU A  38
VAL A 141
ILE A  31
PHE A 172
 None
 1.16A 2w9gA-1j71A:
undetectable		 2w9gA-1j71A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 LEU A 199
ALA A 235
VAL A 159
SER A 171
PHE A 195
 None
None
None
DEB  A 420 ( 4.8A)
None
 1.12A 2w9gA-1jioA:
undetectable		 2w9gA-1jioA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jlk RESPONSE REGULATOR
RCP1

(Synechocystis
sp. PCC 6803) 		PF00072
(Response_reg) 		5 LEU A  71
ALA A  45
LEU A  12
VAL A  14
ILE A  83
 None
 0.99A 2w9gA-1jlkA:
undetectable		 2w9gA-1jlkA:
24.14
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.
1ldj CULLIN HOMOLOG 1

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		5 LEU A 422
LEU A 430
LEU A 446
VAL A 449
PHE A 462
 None
 1.08A 2w9gA-1ldjA:
undetectable		 2w9gA-1ldjA:
10.32
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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 151
LEU A  30
VAL A  33
ILE A  88
THR A 166
 None
 1.00A 2w9gA-1m66A:
undetectable		 2w9gA-1m66A:
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.
1mqt POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		5 LEU B 221
ALA B 152
VAL B 243
SER B  87
PHE B  82
 None
 1.13A 2w9gA-1mqtB:
undetectable		 2w9gA-1mqtB:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU C 424
ALA C 445
LEU C 440
LEU C 437
ILE C 385
 None
 1.08A 2w9gA-1n8yC:
undetectable		 2w9gA-1n8yC:
13.63
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.
1pyt PROCARBOXYPEPTIDASE
A

(Bos taurus) 		PF02244
(Propep_M14) 		6 LEU A  61
ALA A  63
LEU A  29
LEU A  35
VAL A  56
ILE A  15
 None
 1.48A 2w9gA-1pytA:
undetectable		 2w9gA-1pytA:
19.51
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		5 LEU A 620
LEU A 724
LEU A 554
VAL A 604
PHE A 617
 None
 1.12A 2w9gA-1q2lA:
undetectable		 2w9gA-1q2lA:
9.81
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 LEU B 220
LEU B 289
LEU B 324
VAL B 328
THR B 310
 None
 1.12A 2w9gA-1qh1B:
undetectable		 2w9gA-1qh1B:
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.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 ASP A 199
LEU A 202
VAL A 201
ILE A 346
THR A 385
 ASP  A 199 ( 0.5A)
LEU  A 202 ( 0.6A)
VAL  A 201 ( 0.6A)
ILE  A 346 ( 0.7A)
THR  A 385 ( 0.8A)
 1.13A 2w9gA-1rrvA:
undetectable		 2w9gA-1rrvA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1th8 ANTI-SIGMA F FACTOR
ANTAGONIST

(Geobacillus
stearothermophilus) 		PF01740
(STAS) 		5 LEU B  14
LEU B  18
LEU B  30
VAL B  34
ILE B  64
 None
 1.02A 2w9gA-1th8B:
undetectable		 2w9gA-1th8B:
23.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.72A 2w9gA-1zdrA:
26.1		 2w9gA-1zdrA:
49.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.52A 2w9gA-1zdrA:
26.1		 2w9gA-1zdrA:
49.08
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.
1ztv HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF01904
(DUF72) 		5 LEU A 133
ALA A 104
SER A  70
ILE A  69
PHE A 130
 None
 1.04A 2w9gA-1ztvA:
undetectable		 2w9gA-1ztvA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 0.84A 2w9gA-2blbA:
19.7		 2w9gA-2blbA:
28.63
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 LEU A  61
ALA A  63
LEU A  35
VAL A  56
ILE A  15
 None
 1.15A 2w9gA-2boaA:
undetectable		 2w9gA-2boaA:
17.91
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 LEU A  92
LEU A 217
VAL A 221
ILE A 183
THR A  83
 None
 1.12A 2w9gA-2d4eA:
undetectable		 2w9gA-2d4eA:
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 143
LEU A  79
VAL A  80
SER A 117
PHE A 125
 None
 1.09A 2w9gA-2ecfA:
undetectable		 2w9gA-2ecfA:
12.01
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.
2g5x RIBOSOME-INACTIVATIN
G PROTEIN

(Silene
chalcedonica) 		PF00161
(RIP) 		5 LEU A  20
ALA A 169
LEU A  61
VAL A  48
PHE A  16
 None
 1.13A 2w9gA-2g5xA:
undetectable		 2w9gA-2g5xA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
SER A  83
ILE A  84
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
 0.91A 2w9gA-2h2qA:
19.4		 2w9gA-2h2qA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lf8 TRANSCRIPTION FACTOR
ETV6

(Mus musculus) 		PF00178
(Ets) 		5 LEU A 394
LEU A 337
VAL A 341
ILE A 402
PHE A 415
 None
 1.07A 2w9gA-2lf8A:
undetectable		 2w9gA-2lf8A:
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		5 LEU 1 381
VAL 1 383
SER 1 362
ILE 1 264
PHE 1 351
 None
 1.14A 2w9gA-2oap1:
undetectable		 2w9gA-2oap1:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  61
ILE A  62
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.2A)
 0.69A 2w9gA-2oipA:
21.5		 2w9gA-2oipA:
17.27
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) 		7 ALA A   8
LEU A  21
LEU A  29
VAL A  32
ILE A  51
PHE A  96
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.78A 2w9gA-2qk8A:
25.2		 2w9gA-2qk8A:
46.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  32
SER A  53
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.7A)
 0.71A 2w9gA-2w3wA:
22.7		 2w9gA-2w3wA:
31.79
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) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.34A 2w9gA-2w9sA:
30.3		 2w9gA-2w9sA:
80.75
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.
2x1g CADMUS

(Drosophila
melanogaster) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		5 LEU F 919
ALA F 881
LEU F 901
ILE F 943
THR F 880
 None
 1.08A 2w9gA-2x1gF:
undetectable		 2w9gA-2x1gF:
10.03
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 LEU A  40
ALA A  44
LEU A  61
LEU A 101
VAL A  23
 None
 1.15A 2w9gA-2ybqA:
undetectable		 2w9gA-2ybqA:
18.39
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		5 ALA A 259
LEU A 256
LEU A 209
VAL A 205
ILE A  14
 None
 1.12A 2w9gA-3ca8A:
undetectable		 2w9gA-3ca8A:
18.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 LEU A   4
ALA A   6
LEU A  19
ASP A  26
LEU A  27
SER A  48
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.63A 2w9gA-3dfrA:
24.0		 2w9gA-3dfrA:
35.54
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
LEU A  46
ASP A  54
SER A 111
ILE A 112
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 ( 4.5A)
 0.86A 2w9gA-3dg8A:
20.3		 2w9gA-3dg8A:
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.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 LEU A 340
ALA A 400
LEU A 348
SER A 325
ILE A 255
 None
None
None
GOL  A 413 (-4.5A)
None
 1.11A 2w9gA-3e05A:
undetectable		 2w9gA-3e05A:
26.67
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) 		9 LEU X   5
ALA X   7
LEU X  20
ASP X  27
LEU X  28
VAL X  31
ILE X  50
PHE X  92
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.47A 2w9gA-3i8aX:
30.7		 2w9gA-3i8aX:
98.73
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) 		9 LEU X   5
ALA X   7
LEU X  20
ASP X  27
VAL X  31
SER X  49
ILE X  50
PHE X  92
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.56A 2w9gA-3i8aX:
30.7		 2w9gA-3i8aX:
98.73
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
LEU A  29
SER A  50
ILE A  51
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.3A)
 0.48A 2w9gA-3ia4A:
26.0		 2w9gA-3ia4A:
40.12
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
SER A  72
ILE A  73
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
 0.85A 2w9gA-3kjrA:
20.7		 2w9gA-3kjrA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP A 704
LEU A 702
VAL A 694
PHE A 764
THR A 425
 None
 1.05A 2w9gA-3la4A:
undetectable		 2w9gA-3la4A:
10.39
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.
3lrp ADP-RIBOSYLATION
FACTOR 1

(Plasmodium
falciparum) 		PF00025
(Arf) 		5 LEU A 166
LEU A  34
VAL A  37
ILE A  20
PHE A 170
 None
 1.16A 2w9gA-3lrpA:
undetectable		 2w9gA-3lrpA:
24.75
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.
3p04 UNCHARACTERIZED BCR

(Corynebacterium
glutamicum) 		PF04472
(SepF) 		5 ALA A  86
LEU A 115
VAL A 133
ILE A 108
PHE A  95
 None
 1.10A 2w9gA-3p04A:
undetectable		 2w9gA-3p04A:
16.77
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		5 ALA A 364
LEU A  28
LEU A 292
ILE A 380
THR A 365
 None
 1.09A 2w9gA-3pgyA:
undetectable		 2w9gA-3pgyA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
ASP A  28
LEU A  29
SER A  50
ILE A  51
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.53A 2w9gA-3tq9A:
25.3		 2w9gA-3tq9A:
38.76
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
SER A  56
ILE A  57
THR A 133
 None
 0.94A 2w9gA-3vcoA:
17.7		 2w9gA-3vcoA:
29.41
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.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		5 LEU A 178
LEU A 446
VAL A 441
SER A 390
ILE A 377
 None
 0.98A 2w9gA-3wmyA:
undetectable		 2w9gA-3wmyA:
15.30
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 LEU A 408
LEU A 471
LEU A 333
VAL A 337
THR A 379
 None
 1.05A 2w9gA-3wvoA:
undetectable		 2w9gA-3wvoA:
13.39
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 ALA A  58
LEU A  38
VAL A 314
ILE A 301
PHE A  67
 None
 1.16A 2w9gA-3wvsA:
undetectable		 2w9gA-3wvsA:
19.79
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.
3zyn LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		6 LEU A 305
LEU A 324
LEU A 310
VAL A 308
ILE A 270
THR A 331
 None
 1.43A 2w9gA-3zynA:
undetectable		 2w9gA-3zynA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8) 		6 LEU A 305
LEU A 324
LEU A 310
VAL A 308
ILE A 270
THR A 331
 None
 1.48A 2w9gA-3zyoA:
undetectable		 2w9gA-3zyoA:
17.16
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.
3zzw TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 682
LEU A 565
LEU A 595
VAL A 596
PHE A 686
 None
 0.99A 2w9gA-3zzwA:
undetectable		 2w9gA-3zzwA:
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD3

(Schizosaccharomyces
pombe) 		PF08311
(Mad3_BUB1_I) 		5 LEU C 136
LEU C 120
VAL C 127
PHE C 137
THR C 104
 None
 1.13A 2w9gA-4aezC:
undetectable		 2w9gA-4aezC:
24.44
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		5 LEU A  85
LEU A 105
VAL A 108
SER A 455
PHE A  81
 None
None
None
FAD  A1552 ( 4.5A)
None
 1.14A 2w9gA-4ap3A:
undetectable		 2w9gA-4ap3A:
13.77
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.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 LEU A 184
LEU A 200
LEU A 189
VAL A 187
ILE A 151
 None
 1.10A 2w9gA-4fs7A:
undetectable		 2w9gA-4fs7A:
17.63
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP B 704
LEU B 702
VAL B 694
PHE B 764
THR B 425
 None
 1.08A 2w9gA-4g7eB:
undetectable		 2w9gA-4g7eB:
10.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.57A 2w9gA-4g8zX:
20.1		 2w9gA-4g8zX:
30.05
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.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 LEU A 185
LEU A 133
LEU A  55
VAL A  51
PHE A 183
 None
 1.03A 2w9gA-4giwA:
undetectable		 2w9gA-4giwA:
23.30
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 LEU M 423
VAL M 470
SER M 432
ILE M 433
PHE M 427
 None
 1.13A 2w9gA-4gq2M:
undetectable		 2w9gA-4gq2M:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 844
LEU A 796
VAL A 839
ILE A 637
THR A 819
 None
 1.12A 2w9gA-4h6xA:
undetectable		 2w9gA-4h6xA:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
SER A  61
ILE A  62
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.2A)
 0.58A 2w9gA-4h98A:
19.5		 2w9gA-4h98A:
31.39
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 LEU N 423
LEU N 290
VAL N 419
SER N 332
PHE N 283
 None
 1.12A 2w9gA-4heaN:
undetectable		 2w9gA-4heaN:
14.78
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.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 LEU A 211
ALA A 209
LEU A 293
LEU A 202
PHE A 285
 None
 1.09A 2w9gA-4iqrA:
undetectable		 2w9gA-4iqrA:
17.02
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.
4jbu VIRULENCE-ASSOCIATED
V ANTIGEN

(Yersinia pestis) 		PF04792
(LcrV) 		5 LEU A 253
LEU A 280
VAL A 284
SER A 235
ILE A 236
 None
 1.12A 2w9gA-4jbuA:
undetectable		 2w9gA-4jbuA:
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 ALA A  90
ASP A 264
VAL A 268
ILE A 299
PHE A  66
 None
 0.94A 2w9gA-4lr2A:
undetectable		 2w9gA-4lr2A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 440
LEU A 480
ILE A 429
PHE A 434
THR A 477
 None
 1.12A 2w9gA-4lxrA:
undetectable		 2w9gA-4lxrA:
11.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.24A 2w9gA-4m7vA:
25.4		 2w9gA-4m7vA:
43.86
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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		5 LEU A  82
LEU A  45
ILE A  52
PHE A  71
THR A  78
 None
 1.12A 2w9gA-4oxxA:
2.5		 2w9gA-4oxxA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.5A)
 0.51A 2w9gA-4p68A:
26.0		 2w9gA-4p68A:
36.65
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.
4q2n INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A 441
LEU A 376
LEU A 447
VAL A 421
ILE A 380
 None
 0.97A 2w9gA-4q2nA:
undetectable		 2w9gA-4q2nA:
24.49
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 ALA A 392
ASP A 475
LEU A 478
VAL A 477
SER A 401
 None
 1.14A 2w9gA-4qlbA:
undetectable		 2w9gA-4qlbA:
14.57
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.
4w9r UNCHARACTERIZED
PROTEIN

(Capnocytophaga
ochracea) 		PF00756
(Esterase) 		5 LEU A 316
LEU A 294
VAL A 297
ILE A 364
PHE A 334
 None
 1.01A 2w9gA-4w9rA:
undetectable		 2w9gA-4w9rA:
17.84
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.
4wwu MRNA TRANSPORT
REGULATOR MTR2

(Saccharomyces
cerevisiae) 		PF10429
(Mtr2) 		5 LEU C  44
LEU C 149
LEU C  30
ILE C  52
PHE C  45
 None
 1.10A 2w9gA-4wwuC:
undetectable		 2w9gA-4wwuC:
22.68
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.
5aao FAD3210

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A  60
ALA A  55
LEU A  51
VAL A  98
THR A  87
 None
 1.12A 2w9gA-5aaoA:
undetectable		 2w9gA-5aaoA:
23.63
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.
5abj VP3

(Enterovirus A) 		PF00073
(Rhv) 		5 LEU C  53
ALA C  88
LEU C 167
VAL C 117
ILE C 196
 None
 1.11A 2w9gA-5abjC:
undetectable		 2w9gA-5abjC:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bty LPG1496

(Legionella
pneumophila) 		no annotation 5 LEU A 256
LEU A 250
VAL A 252
ILE A 170
PHE A 272
 None
 1.15A 2w9gA-5btyA:
undetectable		 2w9gA-5btyA:
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A  65
ASP A 365
LEU A 366
ILE A 298
THR A  59
 None
 1.06A 2w9gA-5favA:
undetectable		 2w9gA-5favA:
12.44
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.
5fmf RNA POLYMERASE II
PRE-INITIATION
COMPLEX, TFG1
TRANSCRIPTION
INITIATION FACTOR
IIF SUBUNIT BETA,
TFG2

(Saccharomyces
cerevisiae) 		PF02270
(TFIIF_beta)
PF05793
(TFIIF_alpha) 		5 LEU V  61
LEU U 119
VAL U 137
ILE U 127
THR V 212
 None
 1.05A 2w9gA-5fmfV:
undetectable		 2w9gA-5fmfV:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ALA A 176
LEU A  43
LEU A  57
VAL A  60
ILE A 105
 None
 0.80A 2w9gA-5gleA:
undetectable		 2w9gA-5gleA:
22.39
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.
5hmp UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF00063
(Myosin_head) 		5 LEU A 355
LEU A 574
VAL A 369
ILE A 405
PHE A 358
 None
 1.04A 2w9gA-5hmpA:
undetectable		 2w9gA-5hmpA:
12.00
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 LEU A 135
LEU A 102
VAL A  81
PHE A 118
THR A  88
 None
 1.09A 2w9gA-5iaaA:
undetectable		 2w9gA-5iaaA:
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 LEU C 423
ALA C 444
LEU C 439
LEU C 436
ILE C 384
 None
 1.12A 2w9gA-5o4gC:
undetectable		 2w9gA-5o4gC:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olp PECTATE LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A  67
VAL A  91
SER A 147
ILE A 146
PHE A  93
 None
 1.11A 2w9gA-5olpA:
undetectable		 2w9gA-5olpA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
LEU A  23
ASP A  31
SER A  86
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.2A)
 0.82A 2w9gA-5t0lA:
20.8		 2w9gA-5t0lA:
16.14
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 LEU A 430
LEU A 198
VAL A 184
ILE A 213
PHE A 115
 None
 1.07A 2w9gA-5t81A:
undetectable		 2w9gA-5t81A:
14.02
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		5 LEU A1362
ALA A1293
LEU A1289
LEU A1304
PHE A1358
 None
 1.12A 2w9gA-5u89A:
undetectable		 2w9gA-5u89A:
9.09
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ALA A  92
ASP A 265
VAL A 269
ILE A 301
PHE A  68
 None
 0.94A 2w9gA-5veoA:
undetectable		 2w9gA-5veoA:
17.16
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 LEU A 227
LEU A 358
VAL A 361
ILE A 257
THR A 210
 None
 0.98A 2w9gA-5xfaA:
undetectable		 2w9gA-5xfaA:
14.02
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.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR

(Staphylococcus
aureus) 		PF03466
(LysR_substrate) 		5 LEU A 188
LEU A  67
LEU A  15
VAL A  19
PHE A 185
 None
 0.78A 2w9gA-5y9qA:
2.7		 2w9gA-5y9qA:
23.26
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 5 LEU A 180
ALA A 165
LEU A 188
VAL A 186
ILE A  33
 None
 1.09A 2w9gA-5ywpA:
undetectable		 2w9gA-5ywpA:
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.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
aureus) 		no annotation 5 LEU A 278
LEU A 157
LEU A 105
VAL A 109
PHE A 275
 None
 0.77A 2w9gA-5z7hA:
undetectable		 2w9gA-5z7hA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azt ASPARAGINYL
ENDOPEPTIDASE 1

(Helianthus
annuus) 		no annotation 5 LEU A 149
LEU A 173
LEU A 197
VAL A 200
ILE A 236
 None
 1.09A 2w9gA-6aztA:
undetectable		 2w9gA-6aztA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4m YERSINOPINE
DEHYDROGENASE

(Yersinia pestis) 		no annotation 5 LEU C 119
LEU C 114
LEU C 134
VAL C 130
ILE C 106
 None
 1.16A 2w9gA-6c4mC:
undetectable		 2w9gA-6c4mC:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 9 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.34A 2w9gA-6e4eA:
30.8		 2w9gA-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.
6e4e -

(-) 		no annotation 9 LEU A   5
ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.51A 2w9gA-6e4eA:
30.8		 2w9gA-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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 ALA B 607
LEU B 644
LEU B 635
VAL B 572
PHE B 574
 None
 1.16A 2w9gA-6f0kB:
undetectable		 2w9gA-6f0kB:
19.75