SIMILAR PATTERNS OF AMINO ACIDS FOR 1LWF_A_NVPA999_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.
1f2p AMINOPEPTIDASE

(Streptomyces
griseus) 		PF04389
(Peptidase_M28) 		5 LEU A 153
VAL A 211
TYR A 156
GLY A 212
LEU A 145
 None
 1.16A 1lwfA-1f2pA:
0.0		 1lwfA-1f2pA:
20.78
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.
1fzt PHOSPHOGLYCERATE
MUTASE

(Schizosaccharomyces
pombe) 		PF00300
(His_Phos_1) 		5 LEU A 159
VAL A  78
TYR A  54
GLY A  46
LEU A  83
 None
 1.17A 1lwfA-1fztA:
undetectable		 1lwfA-1fztA:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		5 VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
 None
 0.54A 1lwfA-1harA:
13.1		 1lwfA-1harA:
42.28
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.
1i5l PUTATIVE SNRNP
SM-LIKE PROTEIN
AF-SM1

(Archaeoglobus
fulgidus) 		PF01423
(LSM) 		5 LEU A   9
VAL A  67
GLY A  64
LEU A   6
TYR A  34
 None
None
URI  A 201 (-3.6A)
None
None
 1.42A 1lwfA-1i5lA:
undetectable		 1lwfA-1i5lA:
10.55
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU F 118
VAL F 129
TYR F  99
GLY F 130
LEU F 103
 None
 1.20A 1lwfA-1j8mF:
0.0		 1lwfA-1j8mF:
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.
1jba PROTEIN (GUANYLATE
CYCLASE ACTIVATING
PROTEIN 2)

(Bos taurus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 VAL A 157
VAL A 171
GLY A 173
LEU A 117
TYR A 104
 None
 1.47A 1lwfA-1jbaA:
undetectable		 1lwfA-1jbaA:
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		5 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.23A 1lwfA-1k7yA:
0.3		 1lwfA-1k7yA:
21.77
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 0.96A 1lwfA-1oypA:
undetectable		 1lwfA-1oypA:
18.82
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.
1qhl PROTEIN (CELL
DIVISION PROTEIN
MUKB)

(Escherichia
coli) 		PF04310
(MukB) 		5 LEU A  51
VAL A 102
VAL A 104
GLY A 103
LEU A 221
 None
 1.37A 1lwfA-1qhlA:
undetectable		 1lwfA-1qhlA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 544
VAL A 499
VAL A 561
GLY A 498
LEU A 466
 None
 1.06A 1lwfA-1sb3A:
0.0		 1lwfA-1sb3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 LEU A 539
VAL A 440
VAL A 432
GLY A 439
LEU A 535
 None
 1.04A 1lwfA-1su7A:
undetectable		 1lwfA-1su7A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 LEU A  29
TYR A  83
TYR A  84
GLY A  80
LEU A  45
 None
 1.36A 1lwfA-1vbfA:
undetectable		 1lwfA-1vbfA:
18.73
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 LEU A 327
VAL A  63
TYR A 104
GLY A  99
LEU A 304
 None
 1.46A 1lwfA-1xa0A:
undetectable		 1lwfA-1xa0A:
22.12
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.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		5 LEU A 404
VAL A 455
VAL A 428
GLY A 426
LEU A 401
 None
 1.23A 1lwfA-1xa6A:
undetectable		 1lwfA-1xa6A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A  60
VAL A  87
GLY A  88
LEU A  12
TYR A  44
 GOL  A1272 (-4.0A)
None
GOL  A1271 (-3.8A)
None
None
 1.18A 1lwfA-1yq9A:
undetectable		 1lwfA-1yq9A:
19.25
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.
2c6r DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY

(Deinococcus
radiodurans) 		PF00210
(Ferritin) 		5 LEU A  59
VAL A 147
TYR A 179
TYR A 144
GLY A 148
 None
 1.38A 1lwfA-2c6rA:
undetectable		 1lwfA-2c6rA:
15.03
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 VAL A 517
TYR A 604
GLY A 601
TRP A 632
LEU A 659
 None
 1.30A 1lwfA-2d5lA:
undetectable		 1lwfA-2d5lA:
21.59
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.
2dsj PYRIMIDINE-NUCLEOSID
E (THYMIDINE)
PHOSPHORYLASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 396
VAL A 370
VAL A 368
GLY A 369
LEU A 400
 None
 1.29A 1lwfA-2dsjA:
undetectable		 1lwfA-2dsjA:
21.28
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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE

(Thermus
caldophilus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 LEU A 127
VAL A 108
VAL A 161
GLY A 109
LEU A 166
 None
None
FAD  A 601 (-3.9A)
FAD  A 601 (-3.5A)
None
 1.49A 1lwfA-2gqtA:
undetectable		 1lwfA-2gqtA:
20.50
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.
2hev TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER 4

(Homo sapiens) 		no annotation 5 LEU F 151
VAL F 135
VAL F 165
GLY F 107
LEU F 117
 None
 1.50A 1lwfA-2hevF:
undetectable		 1lwfA-2hevF:
13.57
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.
2hfd HYDROGENASE-1 OPERON
PROTEIN HYAE

(Escherichia
coli) 		PF07449
(HyaE) 		5 LEU A 123
VAL A  38
TYR A 103
GLY A  37
LEU A 107
 None
 1.47A 1lwfA-2hfdA:
undetectable		 1lwfA-2hfdA:
12.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.55A 1lwfA-2hnzA:
35.2		 1lwfA-2hnzA:
98.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
VAL A 179
TYR A 181
GLY A 190
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.3A)
 1.24A 1lwfA-2hnzA:
35.2		 1lwfA-2hnzA:
98.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		6 VAL A 106
VAL A 179
TYR A 181
GLY A 190
TRP A 229
LEU A 234
 PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
 1.49A 1lwfA-2hnzA:
35.2		 1lwfA-2hnzA:
98.32
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.
2i8l HYDROGENASE 3
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 LEU A   5
VAL A   8
GLY A  19
TRP A 142
LEU A 139
 None
 1.36A 1lwfA-2i8lA:
undetectable		 1lwfA-2i8lA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LEU A  66
VAL A 261
VAL A 305
GLY A 260
LEU A  15
 None
 1.48A 1lwfA-2ip4A:
undetectable		 1lwfA-2ip4A:
20.21
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.
2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima) 		PF01174
(SNO) 		5 LEU D  43
VAL D   8
VAL D  29
GLY D   7
LEU D  83
 None
 1.35A 1lwfA-2issD:
undetectable		 1lwfA-2issD:
15.51
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.
2jp2 SPROUTY-RELATED,
EVH1
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00568
(WH1) 		5 VAL A  45
VAL A  43
GLY A  44
LEU A  81
TYR A  83
 None
 1.15A 1lwfA-2jp2A:
undetectable		 1lwfA-2jp2A:
12.67
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.
2pk9 PHO85 CYCLIN PHO80

(Saccharomyces
cerevisiae) 		PF08613
(Cyclin) 		5 VAL B 147
VAL B 150
TYR B 144
GLY B 148
LEU B  90
 None
 1.42A 1lwfA-2pk9B:
undetectable		 1lwfA-2pk9B:
19.93
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 LEU A 141
VAL A 227
VAL A 217
GLY A 228
TYR A 166
 None
 1.36A 1lwfA-2pziA:
undetectable		 1lwfA-2pziA:
21.75
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.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 3

(Sulfolobus
solfataricus) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 LEU B 149
VAL B 164
VAL B 156
GLY B 161
LEU B 113
 None
 1.33A 1lwfA-2qbyB:
undetectable		 1lwfA-2qbyB:
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 140
VAL A   5
VAL A 104
GLY A 102
LEU A 124
 None
 1.44A 1lwfA-2qzxA:
undetectable		 1lwfA-2qzxA:
20.14
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.
2rin PUTATIVE GLYCINE
BETAINE-BINDING ABC
TRANSPORTER PROTEIN

(Sinorhizobium
meliloti) 		PF04069
(OpuAC) 		5 LEU A  57
VAL A 300
VAL A 312
GLY A 308
TYR A  62
 None
 1.47A 1lwfA-2rinA:
undetectable		 1lwfA-2rinA:
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		5 LEU A  61
VAL A  22
VAL A 105
GLY A 126
LEU A  54
 None
 1.42A 1lwfA-2vadA:
undetectable		 1lwfA-2vadA:
18.03
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.
2vkp BTB/POZ
DOMAIN-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00651
(BTB) 		5 LEU A  66
VAL A  93
TYR A  91
GLY A  33
TYR A  70
 None
 1.17A 1lwfA-2vkpA:
undetectable		 1lwfA-2vkpA:
11.61
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU D 733
VAL D 566
VAL D 626
GLY D 567
LEU D 684
 None
 1.30A 1lwfA-2vnuD:
undetectable		 1lwfA-2vnuD:
22.24
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 733
VAL J 566
VAL J 626
GLY J 567
LEU J 684
 None
 1.32A 1lwfA-2wp8J:
undetectable		 1lwfA-2wp8J:
20.06
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		5 LEU A 484
VAL A 443
VAL A 461
GLY A 460
LEU A 370
 None
 1.40A 1lwfA-2zj4A:
undetectable		 1lwfA-2zj4A:
20.80
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 216
VAL A 166
VAL A 187
GLY A 167
LEU A 220
 None
 0.91A 1lwfA-3b4tA:
undetectable		 1lwfA-3b4tA:
18.53
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.
3b7c UNCHARACTERIZED
PROTEIN

(Shewanella
oneidensis) 		PF14534
(DUF4440) 		5 LEU A  67
TYR A  54
TYR A  58
GLY A  20
LEU A  90
 None
None
None
EDO  A 124 (-4.2A)
None
 1.29A 1lwfA-3b7cA:
undetectable		 1lwfA-3b7cA:
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 335
VAL A 398
TYR A 375
GLY A 397
LEU A 337
 None
 1.43A 1lwfA-3cgdA:
undetectable		 1lwfA-3cgdA:
21.40
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.
3cxl N-CHIMERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		5 LEU A 397
VAL A 448
VAL A 421
GLY A 419
LEU A 394
 None
 1.41A 1lwfA-3cxlA:
undetectable		 1lwfA-3cxlA:
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 0.99A 1lwfA-3dd6A:
undetectable		 1lwfA-3dd6A:
20.71
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  91
VAL A 109
VAL A 191
GLY A 108
TYR A 157
 None
 1.31A 1lwfA-3e60A:
undetectable		 1lwfA-3e60A:
21.42
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.
3ejg NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
229E) 		PF01661
(Macro) 		5 LEU A  45
VAL A  22
VAL A 150
GLY A  17
LEU A  49
 None
 1.48A 1lwfA-3ejgA:
1.7		 1lwfA-3ejgA:
16.40
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.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 196
VAL A  24
VAL A  17
GLY A 189
LEU A  99
 None
 1.18A 1lwfA-3eoqA:
3.4		 1lwfA-3eoqA:
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 LEU L 273
VAL L 261
VAL L 328
TYR L 256
GLY L 254
 None
 1.19A 1lwfA-3g9kL:
undetectable		 1lwfA-3g9kL:
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.
3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 LEU A 323
VAL A 193
VAL A 349
GLY A 191
LEU A 312
 None
None
DTU  A 489 (-4.2A)
None
None
 1.42A 1lwfA-3gueA:
undetectable		 1lwfA-3gueA:
24.32
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.
3i7f ASPARTYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A  81
VAL A 140
VAL A  61
GLY A 119
LEU A  79
 None
 1.16A 1lwfA-3i7fA:
undetectable		 1lwfA-3i7fA:
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 LEU X 475
TYR X  30
TYR X  33
GLY X  35
LEU X 479
 None
 1.43A 1lwfA-3lxuX:
2.2		 1lwfA-3lxuX:
18.26
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.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 109
VAL A 122
VAL A  93
GLY A 121
LEU A 106
 None
 1.46A 1lwfA-3m2tA:
undetectable		 1lwfA-3m2tA:
17.96
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.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 283
VAL A 298
VAL A 383
GLY A 368
LEU A 317
 None
 1.39A 1lwfA-3ov3A:
undetectable		 1lwfA-3ov3A:
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.
3rao PUTATIVE
LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		5 LEU A  45
VAL A 202
VAL A 114
TYR A 182
GLY A 184
 None
 1.40A 1lwfA-3raoA:
undetectable		 1lwfA-3raoA:
21.65
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.
3uit INAD-LIKE PROTEIN,
MAGUK P55 SUBFAMILY
MEMBER 5, PROTEIN
LIN-7 HOMOLOG B

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF02828
(L27)
PF09045
(L27_2)
PF09060
(L27_N) 		5 LEU A 178
VAL A 185
VAL A 196
TYR A 253
GLY A 193
 None
 1.49A 1lwfA-3uitA:
undetectable		 1lwfA-3uitA:
21.36
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		5 LEU A 493
VAL A 500
GLY A 326
LEU A 477
TYR A 494
 CL  A 565 ( 4.4A)
None
None
None
CL  A 565 (-3.0A)
 1.46A 1lwfA-3ujhA:
undetectable		 1lwfA-3ujhA:
23.68
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.22A 1lwfA-3va6A:
undetectable		 1lwfA-3va6A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vkw REPLICASE LARGE
SUBUNIT

(Tobacco mosaic
virus) 		PF01443
(Viral_helicase1) 		5 LEU A1028
VAL A1000
GLY A1002
LEU A1013
TYR A1033
 None
 1.35A 1lwfA-3vkwA:
undetectable		 1lwfA-3vkwA:
21.88
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.
4b5m PUTATIVE
EXODEOXYRIBONUCLEASE

(Neisseria
meningitidis) 		PF03372
(Exo_endo_phos) 		5 LEU A   2
VAL A 225
VAL A 252
LEU A 103
TYR A 256
 None
 1.33A 1lwfA-4b5mA:
undetectable		 1lwfA-4b5mA:
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.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		5 LEU A 447
VAL A 391
TYR A 364
GLY A 390
LEU A 421
 None
ADP  A 501 (-4.8A)
ADP  A 501 (-3.8A)
ADP  A 501 ( 4.6A)
ADP  A 501 (-3.8A)
 1.34A 1lwfA-4bizA:
undetectable		 1lwfA-4bizA:
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 108
VAL A 154
VAL A 147
GLY A 151
LEU A  54
 None
 1.24A 1lwfA-4i9aA:
4.7		 1lwfA-4i9aA:
19.53
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.
4jxb INVASION-ASSOCIATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 LEU A  96
VAL A 108
GLY A 109
LEU A 167
TYR A  91
 None
 1.29A 1lwfA-4jxbA:
undetectable		 1lwfA-4jxbA:
14.51
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 LEU A 192
VAL A 168
VAL A 166
GLY A 167
TYR A 194
 None
 1.46A 1lwfA-4maeA:
undetectable		 1lwfA-4maeA:
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.
4mbr SERINE-RICH REPEAT
PROTEIN 2

(Streptococcus
agalactiae) 		PF10425
(SdrG_C_C) 		5 VAL A 301
VAL A 325
TYR A 317
GLY A 315
LEU A 346
 None
 1.34A 1lwfA-4mbrA:
undetectable		 1lwfA-4mbrA:
20.53
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.
4ntc GLIT

(Aspergillus
fumigatus) 		PF07992
(Pyr_redox_2) 		5 LEU A 146
VAL A 161
VAL A 159
TYR A 143
GLY A 160
 None
 1.43A 1lwfA-4ntcA:
2.0		 1lwfA-4ntcA:
20.63
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 LEU A 240
VAL A  39
VAL A  13
GLY A  38
TYR A 222
 None
 1.47A 1lwfA-4p6bA:
undetectable		 1lwfA-4p6bA:
20.28
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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		5 LEU A 495
VAL A 529
VAL A 549
GLY A 530
LEU A 491
 None
 1.28A 1lwfA-4qmkA:
undetectable		 1lwfA-4qmkA:
20.08
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.
4ro1 DIS3-LIKE
EXONUCLEASE 2

(Schizosaccharomyces
pombe) 		no annotation 5 LEU B 656
VAL B 476
VAL B 536
GLY B 477
LEU B 608
 None
 1.20A 1lwfA-4ro1B:
undetectable		 1lwfA-4ro1B:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 LEU A 443
VAL A 410
VAL A 396
GLY A 397
LEU A 445
 None
 1.46A 1lwfA-4uwqA:
undetectable		 1lwfA-4uwqA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xb0 SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00659
(POLO_box) 		5 VAL A 527
VAL A 508
TYR A 510
TYR A 514
GLY A 517
 None
 1.42A 1lwfA-4xb0A:
undetectable		 1lwfA-4xb0A:
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.37A 1lwfA-4xiiA:
undetectable		 1lwfA-4xiiA:
21.87
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.
4y9a TRIOSEPHOSPHATE
ISOMERASE

(Streptomyces
coelicolor) 		PF00121
(TIM) 		5 LEU A 247
VAL A  47
VAL A 242
GLY A  13
LEU A  19
 None
 1.47A 1lwfA-4y9aA:
undetectable		 1lwfA-4y9aA:
21.12
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.
4ygs HYDROLASE

(Thermococcus
onnurineus) 		PF13419
(HAD_2) 		5 LEU A  95
VAL A   4
GLY A 106
LEU A 124
TYR A 127
 None
 1.41A 1lwfA-4ygsA:
undetectable		 1lwfA-4ygsA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ap8 TSR3

(Sulfolobus
solfataricus) 		PF04034
(Ribo_biogen_C)
PF04068
(RLI) 		5 LEU A  38
VAL A  54
VAL A   3
GLY A  58
LEU A  46
 None
 1.19A 1lwfA-5ap8A:
undetectable		 1lwfA-5ap8A:
17.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 VAL B 106
VAL B 179
TYR B 181
TYR B 188
GLY B 190
 None
 0.47A 1lwfA-5c24B:
5.4		 1lwfA-5c24B:
95.75
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.
5kkr KINASE SUPPRESSOR OF
RAS 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU B 867
VAL B 750
VAL B 792
TYR B 794
LEU B 758
 None
 1.49A 1lwfA-5kkrB:
undetectable		 1lwfA-5kkrB:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3q SIGNAL RECOGNITION
PARTICLE RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU B 393
VAL B 354
VAL B 597
GLY B 598
LEU B 362
 None
 1.35A 1lwfA-5l3qB:
undetectable		 1lwfA-5l3qB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 LEU A 453
VAL A 442
VAL A 406
TYR A 425
GLY A 407
 None
 1.46A 1lwfA-5m11A:
undetectable		 1lwfA-5m11A:
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 LEU A 288
VAL A 240
TYR A 238
GLY A 283
TYR A  11
 None
 1.43A 1lwfA-5mg5A:
undetectable		 1lwfA-5mg5A:
10.28
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.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 5 LEU A  78
VAL A  24
GLY A  21
LEU A  81
TYR A  64
 None
 1.38A 1lwfA-5w1eA:
2.3		 1lwfA-5w1eA:
8.93
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 LEU A 164
VAL A 312
VAL A 153
GLY A 177
LEU A 331
 None
 1.36A 1lwfA-5w8oA:
1.0		 1lwfA-5w8oA:
22.05
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.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 5 LEU A 146
VAL A 273
VAL A 232
GLY A 230
LEU A 295
 None
 1.30A 1lwfA-5x1tA:
undetectable		 1lwfA-5x1tA:
10.22
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.
5zxd -

(-) 		no annotation 5 LEU A 228
VAL A  37
GLY A  35
LEU A  26
TYR A 230
 None
 1.31A 1lwfA-5zxdA:
undetectable		 1lwfA-5zxdA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 LEU A 669
VAL A 614
VAL A 588
GLY A 608
LEU A 675
 None
 1.48A 1lwfA-6en4A:
undetectable		 1lwfA-6en4A:
10.09
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 LEU I 284
VAL I 236
TYR I 234
GLY I 262
TYR I   9
 None
 1.30A 1lwfA-6esqI:
undetectable		 1lwfA-6esqI:
9.80
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 LEU I 284
VAL I 236
TYR I 234
GLY I 279
TYR I   9
 None
 1.45A 1lwfA-6esqI:
undetectable		 1lwfA-6esqI:
9.80
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.
6f9m SERINE PROTEASE

(Planococcus
plakortidis) 		no annotation 5 LEU A 304
VAL A 207
VAL A 210
GLY A 208
LEU A 285
 None
 1.42A 1lwfA-6f9mA:
1.0		 1lwfA-6f9mA:
9.72