SIMILAR PATTERNS OF AMINO ACIDS FOR 1Y4L_B_SVRB301

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aok VIPOXIN COMPLEX

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		5 LEU B   2
GLY B  30
TYR B  52
PRO B  68
LYS B  69
 None
ACT  B 134 (-3.7A)
None
None
None
 0.75A 1y4lA-1aokB:
19.8		 1y4lA-1aokB:
49.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aol GP70

(Murine leukemia
virus) 		PF00429
(TLV_coat) 		5 GLY A  20
GLY A  52
LEU A  58
GLY A  57
PRO A 218
 None
 1.23A 1y4lA-1aolA:
undetectable		 1y4lA-1aolA:
19.74
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.
1aur CARBOXYLESTERASE

(Pseudomonas
fluorescens) 		PF02230
(Abhydrolase_2) 		5 GLY A  24
GLY A  22
LEU A  20
GLY A 112
PRO A 143
 None
PMS  A 801 ( 3.9A)
None
None
None
 1.22A 1y4lA-1aurA:
undetectable		 1y4lA-1aurA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bpq PHOSPHOLIPASE A2

(Bos taurus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
TYR A  52
LYS A  53
PRO A  68
 None
CA  A 124 (-4.2A)
None
None
None
 0.99A 1y4lA-1bpqA:
17.8		 1y4lA-1bpqA:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  20
GLY E 119
LEU E  71
GLY E  82
PRO E  58
 None
 1.09A 1y4lA-1cziE:
undetectable		 1y4lA-1cziE:
16.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g0z PHOSPHOLIPASE A2

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
GLY A  32
TYR A  52
PRO A  63
 None
 1.02A 1y4lA-1g0zA:
16.7		 1y4lA-1g0zA:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1god PROTEIN
(PHOSPHOLIPASE A2)

(Cerrophidion
godmani) 		PF00068
(Phospholip_A2_1) 		5 GLY A  23
LYS A  49
TYR A  52
PRO A  68
LYS A  69
 None
 0.70A 1y4lA-1godA:
21.8		 1y4lA-1godA:
80.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyq PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Leishmania
mexicana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A  97
GLY A 122
LEU A 113
GLY A 112
LYS A  89
 None
None
NBD  A 361 (-4.7A)
NBD  A 361 (-3.6A)
None
 1.17A 1y4lA-1gyqA:
undetectable		 1y4lA-1gyqA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		5 LEU A 183
GLY A  23
GLY A  21
LEU A  19
GLY A  80
 3OH  A 300 (-4.3A)
None
3OH  A 300 (-3.6A)
None
None
 1.08A 1y4lA-1m33A:
undetectable		 1y4lA-1m33A:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m8r PHOSPHOLIPASE A2

(Gloydius halys) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
GLY A  32
TYR A  52
PRO A  68
 None
BU1  A1002 (-4.3A)
CD  A1001 (-3.9A)
None
None
 1.25A 1y4lA-1m8rA:
19.8		 1y4lA-1m8rA:
50.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		5 LEU A1002
GLY A1023
ARG A1034
TYR A1052
LYS A1069
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
None
None
None
 0.83A 1y4lA-1mc2A:
23.8		 1y4lA-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		8 LEU A1002
GLY A1023
GLY A1030
GLY A1033
ARG A1034
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
None
None
 0.62A 1y4lA-1mc2A:
23.8		 1y4lA-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n28 PHOSPHOLIPASE A2,
MEMBRANE ASSOCIATED

(Homo sapiens) 		no annotation 5 LEU B   2
GLY B  22
GLY B  29
GLY B  32
TYR B  51
 None
None
CA  B 125 (-4.4A)
CA  B 125 ( 4.7A)
None
 1.02A 1y4lA-1n28B:
21.1		 1y4lA-1n28B:
50.00
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.
1nyt SHIKIMATE
5-DEHYDROGENASE

(Escherichia
coli) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 103
GLY A 105
LEU A 241
GLY A 239
ARG A 112
 None
None
NAP  A1401 (-4.0A)
None
None
 1.10A 1y4lA-1nytA:
undetectable		 1y4lA-1nytA:
19.65
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.
1o5z FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Thermotoga
maritima) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  23
GLY A 187
GLY A 148
LEU A 146
GLY A 145
 None
None
None
SO4  A 501 (-4.2A)
UNL  A 701 ( 3.6A)
 0.88A 1y4lA-1o5zA:
undetectable		 1y4lA-1o5zA:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1po8 PHOSPHOLIPASE A2

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
GLY A  32
TYR A  52
PRO A  63
 None
SHV  A 122 ( 3.7A)
NA  A 121 (-3.3A)
None
None
 1.08A 1y4lA-1po8A:
16.8		 1y4lA-1po8A:
39.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pp2 CALCIUM-FREE
PHOSPHOLIPASE A2

(Crotalus atrox) 		no annotation 5 LEU R   2
GLY R  18
TYR R  52
PRO R  68
LYS R  69
 None
 1.09A 1y4lA-1pp2R:
19.9		 1y4lA-1pp2R:
45.08
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 LEU A 155
GLY A 151
LEU A  79
GLY A  78
PRO A 219
 None
 1.20A 1y4lA-1rf5A:
undetectable		 1y4lA-1rf5A:
16.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vpi PHOSPHOLIPASE A2
INHIBITOR

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
TYR A  52
PRO A  68
LYS A  69
 None
 0.84A 1y4lA-1vpiA:
20.7		 1y4lA-1vpiA:
51.64
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  32
GLY A 190
GLY A 151
LEU A 149
GLY A 148
 None
KCX  A 188 ( 4.1A)
KCX  A 188 ( 4.1A)
PD8  A1421 ( 4.4A)
PD8  A1421 (-4.0A)
 0.93A 1y4lA-1w78A:
undetectable		 1y4lA-1w78A:
14.03
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.
1yck PEPTIDOGLYCAN
RECOGNITION PROTEIN

(Homo sapiens) 		PF01510
(Amidase_2) 		5 GLY A 138
GLY A 134
LEU A 130
GLY A 129
PRO A 170
 None
 1.13A 1y4lA-1yckA:
undetectable		 1y4lA-1yckA:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zl7 HYPOTENSIVE
PHOSPHOLIPASE A2

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		5 GLY A  29
GLY A  32
TYR A  51
PRO A  59
LYS A  60
 None
CA  A1001 (-3.4A)
None
None
None
 1.13A 1y4lA-1zl7A:
20.3		 1y4lA-1zl7A:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zl7 HYPOTENSIVE
PHOSPHOLIPASE A2

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  29
GLY A  32
PRO A  59
LYS A  60
 None
None
CA  A1001 (-3.4A)
None
None
 1.14A 1y4lA-1zl7A:
20.3		 1y4lA-1zl7A:
50.00
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 LEU A  63
GLY A  66
GLY A 197
ARG A 203
PRO A  42
 None
 0.98A 1y4lA-2fafA:
undetectable		 1y4lA-2fafA:
10.61
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.
2fp7 GENOME POLYPROTEIN

(West Nile virus) 		PF00949
(Peptidase_S7) 		5 GLY B 153
GLY B 151
LEU B 149
GLY B 136
TYR B 130
 None
 1.25A 1y4lA-2fp7B:
undetectable		 1y4lA-2fp7B:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnl GLUTATHIONE
S-TRANSFERASE 1

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A  48
GLY A 100
LEU A 102
GLY A 103
LYS A 173
 None
 1.25A 1y4lA-2hnlA:
undetectable		 1y4lA-2hnlA:
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.
2ij9 URIDYLATE KINASE

(Archaeoglobus
fulgidus) 		PF00696
(AA_kinase) 		5 LEU A  12
GLY A   9
GLY A  40
GLY A 108
ARG A  71
 None
SO4  A 301 (-3.3A)
SO4  A 301 (-3.4A)
None
None
 1.17A 1y4lA-2ij9A:
undetectable		 1y4lA-2ij9A:
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 LEU A 585
GLY A 686
GLY A 683
GLY A 680
ARG A 679
 None
 1.23A 1y4lA-2ipcA:
undetectable		 1y4lA-2ipcA:
7.86
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 LEU A 223
GLY A 328
GLY A 330
LEU A 332
GLY A 343
 None
None
ACJ  A1465 (-3.9A)
ACJ  A1465 (-4.2A)
ACJ  A1465 ( 4.6A)
 1.21A 1y4lA-2ivdA:
undetectable		 1y4lA-2ivdA:
12.42
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.
2j76 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4B

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLY E  43
LEU E   5
GLY E  45
ARG E  30
PRO E  35
 None
 1.26A 1y4lA-2j76E:
undetectable		 1y4lA-2j76E:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLY A 198
GLY A 197
LEU A 195
GLY A  72
ARG A  73
 None
 1.22A 1y4lA-2nsmA:
undetectable		 1y4lA-2nsmA:
12.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 GLY A  30
TYR A  52
PRO A  68
LYS A  69
LYS A  70
 PEG  A 401 ( 4.5A)
None
None
None
None
 1.09A 1y4lA-2ph4A:
22.4		 1y4lA-2ph4A:
74.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
TYR A  52
PRO A  68
LYS A  70
 None
PEG  A 401 ( 4.5A)
None
None
None
 0.60A 1y4lA-2ph4A:
22.4		 1y4lA-2ph4A:
74.38
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		5 GLY A 206
GLY A 119
LEU A 108
GLY A 106
PRO A 112
 None
None
GOL  A 400 (-4.0A)
GOL  A 400 (-3.3A)
None
 1.23A 1y4lA-2pl5A:
undetectable		 1y4lA-2pl5A:
16.20
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 LEU A 782
GLY A 687
LEU A 193
GLY A 192
TYR A 698
 None
 0.88A 1y4lA-2po4A:
undetectable		 1y4lA-2po4A:
7.45
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 GLY A 516
LEU A 547
ARG A 542
TYR A 541
PRO A 456
 None
 1.23A 1y4lA-2pziA:
undetectable		 1y4lA-2pziA:
9.44
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.
2v1c RECOMBINATION
PROTEIN RECR

(Deinococcus
radiodurans) 		PF02132
(RecR)
PF13662
(Toprim_4) 		5 LEU A 107
GLY A 142
GLY A 147
LEU A 152
PRO A 119
 None
 1.15A 1y4lA-2v1cA:
undetectable		 1y4lA-2v1cA:
17.54
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.
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 GLY A  84
GLY A  82
ARG A 170
PRO A  57
LYS A  56
 None
 0.97A 1y4lA-2wfiA:
undetectable		 1y4lA-2wfiA:
17.78
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.
2wj3 1-H-3-HYDROXY-4-OXOQ
UINALDINE
2,4-DIOXYGENASE

(Paenarthrobacter
nitroguajacolicus) 		PF00561
(Abhydrolase_1) 		5 GLY A  35
LEU A 143
GLY A 189
TYR A 196
PRO A 132
 None
 1.21A 1y4lA-2wj3A:
undetectable		 1y4lA-2wj3A:
16.30
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.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		5 LEU A 222
GLY A 214
GLY A 216
GLY A 250
PRO A 445
 ZKD  A1569 (-4.4A)
None
None
None
None
 1.17A 1y4lA-2xgoA:
undetectable		 1y4lA-2xgoA:
11.32
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.
2zec TRYPTASE BETA 2

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  45
GLY A 211
LEU A 213
GLY A 225
LYS A  26
 None
 1.19A 1y4lA-2zecA:
undetectable		 1y4lA-2zecA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cn7 CARBOXYLESTERASE

(Pseudomonas
aeruginosa) 		PF02230
(Abhydrolase_2) 		6 GLY A  23
GLY A  21
LEU A  19
GLY A 111
TYR A 140
PRO A 142
 None
 1.19A 1y4lA-3cn7A:
undetectable		 1y4lA-3cn7A:
17.68
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.
3f8u TAPASIN

(Homo sapiens) 		PF07654
(C1-set) 		5 GLY B 317
GLY B 315
GLY B 357
TYR B 360
PRO B 348
 None
 1.11A 1y4lA-3f8uB:
undetectable		 1y4lA-3f8uB:
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		5 LEU A 343
GLY A 289
GLY A 264
LEU A 268
GLY A 273
 None
LLP  A 288 ( 2.4A)
None
None
None
 1.25A 1y4lA-3fcrA:
undetectable		 1y4lA-3fcrA:
12.30
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.
3g8y SUSD/RAGB-ASSOCIATED
ESTERASE-LIKE
PROTEIN

(Bacteroides
vulgatus) 		PF12715
(Abhydrolase_7) 		5 LEU A 141
GLY A 254
LEU A 257
GLY A 145
ARG A 148
 None
None
None
EDO  A   4 (-3.5A)
PEG  A  13 ( 3.5A)
 1.17A 1y4lA-3g8yA:
undetectable		 1y4lA-3g8yA:
16.84
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 LEU L 210
GLY L  84
GLY L  92
GLY L 131
LYS L 212
 None
 1.19A 1y4lA-3g9kL:
undetectable		 1y4lA-3g9kL:
16.61
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 LEU A 335
GLY A 122
GLY A  58
LEU A 380
GLY A 381
 None
 1.20A 1y4lA-3lscA:
undetectable		 1y4lA-3lscA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwj ATSK2

(Arabidopsis
thaliana) 		PF01202
(SKI) 		5 LEU A 256
GLY A 108
GLY A 110
LEU A 103
GLY A 115
 None
 1.21A 1y4lA-3nwjA:
undetectable		 1y4lA-3nwjA:
19.20
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.
3pvd CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 LEU A 415
GLY A 321
LEU A 323
GLY A 324
PRO A 261
 None
 1.21A 1y4lA-3pvdA:
undetectable		 1y4lA-3pvdA:
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.
3pyz BIFUNCTIONAL
FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Yersinia pestis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  32
GLY A 190
GLY A 151
LEU A 149
GLY A 148
 None
 1.01A 1y4lA-3pyzA:
undetectable		 1y4lA-3pyzA:
12.97
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.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		5 GLY A 249
GLY A 248
LEU A 246
GLY A 281
LYS A 263
 None
 1.23A 1y4lA-3r8eA:
undetectable		 1y4lA-3r8eA:
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 GLY A 534
GLY A 526
ARG A 566
LYS A 472
LYS A 488
 None
 1.14A 1y4lA-3uk8A:
undetectable		 1y4lA-3uk8A:
17.54
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.
3wcs ERYTHROAGGLUTININ

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 GLY A 235
GLY A 124
LEU A 126
GLY A 128
ARG A  69
 NAG  A1005 ( 3.8A)
MAN  A1004 (-3.5A)
MAN  A1004 (-4.2A)
None
None
 1.23A 1y4lA-3wcsA:
undetectable		 1y4lA-3wcsA:
19.01
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.
3zf8 MANNAN POLYMERASE
COMPLEXES SUBUNIT
MNN9

(Saccharomyces
cerevisiae) 		PF03452
(Anp1) 		5 GLY A 339
GLY A 337
LEU A 333
GLY A 335
LYS A 344
 None
 1.20A 1y4lA-3zf8A:
undetectable		 1y4lA-3zf8A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		5 LEU A 328
GLY A 306
LEU A  43
GLY A  44
PRO A  23
 None
NAP  A1403 (-3.0A)
None
None
None
 0.99A 1y4lA-4aovA:
undetectable		 1y4lA-4aovA:
15.75
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.
4ayn FACTOR H-BINDING
PROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 LEU A 291
GLY A 242
LEU A 258
GLY A 244
TYR A 217
 None
 1.23A 1y4lA-4aynA:
undetectable		 1y4lA-4aynA:
19.49
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.
4cr4 26S PROTEASE SUBUNIT
RPT4

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 LEU L 231
GLY L 182
GLY L 184
GLY L 356
ARG L 357
 None
 1.24A 1y4lA-4cr4L:
undetectable		 1y4lA-4cr4L:
14.25
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 LEU A 387
GLY A 152
GLY A 374
GLY A 352
LYS A 206
 None
 1.03A 1y4lA-4dg5A:
undetectable		 1y4lA-4dg5A:
14.43
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		5 LEU A 882
GLY A 862
LEU A 359
GLY A 356
TYR A 597
 None
 1.24A 1y4lA-4ft2A:
undetectable		 1y4lA-4ft2A:
9.65
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		5 LEU A 882
GLY A 866
GLY A 862
LEU A 359
GLY A 356
 None
 1.16A 1y4lA-4ft2A:
undetectable		 1y4lA-4ft2A:
9.65
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.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 LEU A  74
GLY A   9
GLY A  56
LEU A  54
GLY A  89
 None
 1.19A 1y4lA-4heqA:
undetectable		 1y4lA-4heqA:
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		5 LEU A  37
GLY A  51
GLY A  12
GLY A  98
LYS A  39
 None
 1.10A 1y4lA-4hxqA:
undetectable		 1y4lA-4hxqA:
17.67
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 LEU A  39
GLY A  19
LEU A 137
GLY A 136
TYR A 155
 None
FAD  A 601 (-3.4A)
None
None
None
 1.04A 1y4lA-4k5rA:
undetectable		 1y4lA-4k5rA:
13.19
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		5 LEU A 579
GLY A 276
LEU A 533
GLY A 534
ARG A 535
 None
 1.02A 1y4lA-4madA:
undetectable		 1y4lA-4madA:
10.08
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.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		5 LEU A  10
GLY A  59
GLY A  56
LEU A  53
GLY A  96
 PG4  A 211 (-4.4A)
None
None
None
None
 1.03A 1y4lA-4mesA:
undetectable		 1y4lA-4mesA:
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 LEU A 183
GLY A  23
GLY A  21
LEU A  19
GLY A  80
 None
None
CL  A 301 ( 4.0A)
None
None
 1.16A 1y4lA-4nmwA:
undetectable		 1y4lA-4nmwA:
17.53
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 257
GLY A 252
LEU A 249
ARG A 384
PRO A 396
 None
 1.15A 1y4lA-4oqrA:
undetectable		 1y4lA-4oqrA:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		5 LEU A 208
GLY A  61
GLY A  89
LEU A 142
ARG A  84
 None
 1.00A 1y4lA-4p0vA:
undetectable		 1y4lA-4p0vA:
14.96
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 LEU A 517
LEU A 559
GLY A 525
ARG A 497
LYS A 480
 None
 1.15A 1y4lA-4ru5A:
undetectable		 1y4lA-4ru5A:
10.41
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 LEU P 452
GLY P 484
GLY P 486
GLY P 488
TYR P 539
 None
 1.11A 1y4lA-4s2tP:
undetectable		 1y4lA-4s2tP:
12.18
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.
4uoo LIPOTEICHOIC ACID
SYNTHASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		5 LEU A 558
GLY A 524
GLY A 523
GLY A 520
LYS A 255
 None
 1.13A 1y4lA-4uooA:
undetectable		 1y4lA-4uooA:
13.10
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 307
GLY A 115
GLY A 299
GLY A  19
LYS A 268
 None
ANP  A 399 ( 3.0A)
ANP  A 399 (-3.7A)
CL  A 401 (-3.5A)
CL  A 402 ( 4.0A)
 1.10A 1y4lA-4utgA:
undetectable		 1y4lA-4utgA:
13.01
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 GLY A 264
GLY A 372
LEU A 352
GLY A 375
ARG A 369
 None
 1.20A 1y4lA-4w1wA:
undetectable		 1y4lA-4w1wA:
12.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wtb BASIC PHOSPHOLIPASE
A2 HOMOLOG
BOTHROPSTOXIN-1

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		9 LEU A   2
GLY A  22
GLY A  29
GLY A  32
ARG A  33
LYS A  48
TYR A  51
PRO A  59
LYS A  61
 None
None
None
None
None
ZN  A 201 ( 4.2A)
None
None
None
 0.83A 1y4lA-4wtbA:
24.0		 1y4lA-4wtbA:
94.21
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.
4x3f SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		6 LEU A 237
GLY A 204
GLY A 207
LEU A 113
ARG A 275
PRO A 242
 None
 1.39A 1y4lA-4x3fA:
undetectable		 1y4lA-4x3fA:
15.93
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 GLY A 351
GLY A 349
LEU A 202
GLY A 201
TYR A  53
 None
 1.08A 1y4lA-5aexA:
undetectable		 1y4lA-5aexA:
13.36
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 GLY A 352
GLY A 349
LEU A 202
GLY A 201
TYR A  53
 None
 0.93A 1y4lA-5aexA:
undetectable		 1y4lA-5aexA:
13.36
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 GLY A 304
GLY A 302
ARG A 221
TYR A 222
PRO A  84
 EDO  A 807 ( 3.8A)
None
EDO  A 808 ( 4.8A)
None
None
 1.24A 1y4lA-5bv9A:
undetectable		 1y4lA-5bv9A:
13.55
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.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 5 LEU A 164
GLY A 123
GLY A 119
LEU A 116
GLY A 114
 None
None
None
SAM  A 301 (-4.0A)
SAM  A 301 ( 4.6A)
 1.20A 1y4lA-5bw4A:
undetectable		 1y4lA-5bw4A:
15.88
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.
5fsh CSM6

(Thermus
thermophilus) 		PF09670
(Cas_Cas02710) 		5 LEU A 367
GLY A 407
GLY A 410
GLY A 414
ARG A 415
 None
 1.06A 1y4lA-5fshA:
undetectable		 1y4lA-5fshA:
12.77
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 LEU A 346
GLY A 307
GLY A 305
LEU A 146
GLY A 147
 None
 1.18A 1y4lA-5glgA:
undetectable		 1y4lA-5glgA:
14.10
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.
5hsz NUCLEOID OCCLUSION
FACTOR SLMA

(Klebsiella
pneumoniae) 		PF00440
(TetR_N) 		5 GLY A  97
GLY A  99
LEU A 105
GLY A 104
ARG A 107
 None
 1.18A 1y4lA-5hszA:
undetectable		 1y4lA-5hszA:
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.
5iv8 LPS BIOSYNTHESIS
PROTEIN

(Klebsiella
pneumoniae) 		PF04453
(OstA_C) 		5 GLY A 442
GLY A 444
LEU A 446
GLY A 488
ARG A 507
 None
 1.07A 1y4lA-5iv8A:
undetectable		 1y4lA-5iv8A:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD

(Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C) 		5 GLY A 419
GLY A 421
LEU A 423
GLY A 465
ARG A 484
 None
 1.05A 1y4lA-5iv9A:
undetectable		 1y4lA-5iv9A:
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 LEU L 412
GLY L 250
GLY L 248
GLY L 443
ARG L 447
 None
None
FAD  L 503 (-3.1A)
FAD  L 503 (-3.3A)
None
 1.20A 1y4lA-5jfcL:
undetectable		 1y4lA-5jfcL:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 GLY A 627
LEU A 535
GLY A 534
ARG A 398
PRO A 622
 None
 1.25A 1y4lA-5m60A:
undetectable		 1y4lA-5m60A:
9.65
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 GLY A 548
LEU A 546
GLY A 543
TYR A 532
PRO A 517
 None
 1.16A 1y4lA-5mogA:
undetectable		 1y4lA-5mogA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 GLY N 372
GLY N 407
LEU N 448
GLY N 449
PRO N 391
 None
 0.81A 1y4lA-5mpdN:
undetectable		 1y4lA-5mpdN:
7.78
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.
5no4 30S RIBOSOMAL
PROTEIN S3

(Escherichia
coli) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		5 LEU C 111
GLY C 148
ARG C 136
PRO C 109
LYS C 108
 None
 1.24A 1y4lA-5no4C:
undetectable		 1y4lA-5no4C:
21.39
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.
5syn ACYL-PROTEIN
THIOESTERASE 2

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 LEU A  78
GLY A  34
GLY A  32
LEU A  30
GLY A 120
 71T  A 301 ( 3.7A)
None
None
None
None
 0.87A 1y4lA-5synA:
undetectable		 1y4lA-5synA:
16.81
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.
5v3e TRANSCRIPTIONAL
REGULATOR

(Porphyromonas
gingivalis) 		no annotation 5 LEU A  80
GLY A  59
GLY A  83
LEU A  16
GLY A  15
 None
 1.24A 1y4lA-5v3eA:
undetectable		 1y4lA-5v3eA:
20.16
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 GLY A 407
GLY A 445
LEU A 422
GLY A 423
ARG A 427
 None
CL  A 505 ( 3.7A)
None
None
None
 1.21A 1y4lA-5x4jA:
undetectable		 1y4lA-5x4jA:
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 5 LEU A 273
GLY A 268
LEU A 265
ARG A 402
PRO A 414
 None
 1.11A 1y4lA-5ysmA:
undetectable		 1y4lA-5ysmA:
15.93
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.
5zal RISC-LOADING COMPLEX
SUBUNIT TARBP2

(Homo sapiens) 		no annotation 5 LEU B 298
GLY B 291
GLY B 349
ARG B 344
TYR B 311
 None
 1.08A 1y4lA-5zalB:
undetectable		 1y4lA-5zalB:
18.49
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 LEU A  16
GLY A 150
GLY A 146
GLY A 142
PRO A 246
 None
 1.24A 1y4lA-6bvgA:
undetectable		 1y4lA-6bvgA:
23.39
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.
6ce2 -

(-) 		no annotation 7 LEU A   2
GLY A  23
GLY A  30
GLY A  33
ARG A  34
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
None
 1.14A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
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.
6ce2 -

(-) 		no annotation 7 LEU A   2
GLY A  23
GLY A  30
GLY A  33
LYS A  49
TYR A  52
PRO A  68
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
None
 0.65A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
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.
6ce2 -

(-) 		no annotation 7 LEU A   2
GLY A  23
GLY A  30
LEU A  32
GLY A  33
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
None
 1.12A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
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.
6ce2 -

(-) 		no annotation 6 LEU A   5
GLY A  23
GLY A  30
LEU A  32
GLY A  33
LYS A  49
 PE4  A 201 ( 4.7A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
 1.38A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LEU A 106
GLY A  13
GLY A  17
GLY A 325
LYS A 108
 None
FAD  A 502 ( 4.8A)
None
None
None
 0.98A 1y4lA-6cmzA:
undetectable		 1y4lA-6cmzA:
17.24
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.
1a9n U2A'

(Homo sapiens) 		PF14580
(LRR_9) 		5 LEU A 118
LEU A 145
GLY A 104
TYR A 131
LYS A 128
 None
 1.28A 1y4lB-1a9nA:
undetectable		 1y4lB-1a9nA:
22.03
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A  72
LEU A 212
VAL A  51
GLY A  54
LYS A  61
 None
 1.47A 1y4lB-1g7rA:
undetectable		 1y4lB-1g7rA:
12.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1god PROTEIN
(PHOSPHOLIPASE A2)

(Cerrophidion
godmani) 		PF00068
(Phospholip_A2_1) 		5 LEU A   5
VAL A  31
HIS A  48
TYR A  52
LYS A  53
 None
 0.91A 1y4lB-1godA:
21.8		 1y4lB-1godA:
80.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1god PROTEIN
(PHOSPHOLIPASE A2)

(Cerrophidion
godmani) 		PF00068
(Phospholip_A2_1) 		5 VAL A  31
HIS A  48
LYS A  49
TYR A  52
LYS A  53
 None
 1.07A 1y4lB-1godA:
21.8		 1y4lB-1godA:
80.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 LEU A 569
LEU A 505
TYR A 462
LYS A 463
LYS A 524
 None
 1.46A 1y4lB-1hcyA:
undetectable		 1y4lB-1hcyA:
11.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		6 LEU A1002
LEU A1005
GLY A1032
HIS A1048
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.82A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		9 LEU A1002
LEU A1005
VAL A1031
GLY A1033
ARG A1034
HIS A1048
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
None
None
None
 0.57A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		5 LEU A1005
ARG A1034
HIS A1048
TYR A1052
LYS A1053
 IPA  A1135 ( 4.2A)
None
None
None
None
 1.29A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1po8 PHOSPHOLIPASE A2

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
LEU A   5
GLY A  32
HIS A  48
TYR A  52
 None
None
NA  A 121 (-3.3A)
SHV  A 122 (-4.1A)
None
 0.51A 1y4lB-1po8A:
17.5		 1y4lB-1po8A:
39.84
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 LEU A 143
LEU A 142
VAL A 342
GLY A   5
ARG A   9
 None
 1.44A 1y4lB-1umfA:
undetectable		 1y4lB-1umfA:
15.45
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.
1xfs CONSERVED
HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF08327
(AHSA1) 		5 LEU A  29
VAL A  20
ARG A 128
TYR A 129
LYS A  15
 None
 1.43A 1y4lB-1xfsA:
undetectable		 1y4lB-1xfsA:
17.51
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.
1z6n HYPOTHETICAL PROTEIN
PA1234

(Pseudomonas
aeruginosa) 		PF14595
(Thioredoxin_9) 		5 LEU A 100
LEU A 104
VAL A  60
ARG A  57
TYR A   4
 None
 1.44A 1y4lB-1z6nA:
undetectable		 1y4lB-1z6nA:
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.
1zmo HALOHYDRIN
DEHALOGENASE

(Arthrobacter
sp. AD2) 		PF13561
(adh_short_C2) 		5 LEU A 113
LEU A  62
VAL A  77
GLY A  14
HIS A  31
 None
 1.42A 1y4lB-1zmoA:
undetectable		 1y4lB-1zmoA:
15.42
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 LEU A 474
LEU A1024
VAL A 484
GLY A 491
TYR A 493
 None
 1.35A 1y4lB-2eyqA:
undetectable		 1y4lB-2eyqA:
6.34
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.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		5 LEU A  87
LEU A 245
VAL A 104
GLY A 153
ARG A 154
 None
 1.33A 1y4lB-2g9iA:
undetectable		 1y4lB-2g9iA:
17.43
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.
2gzo UPF0301 PROTEIN
SO3346

(Shewanella
oneidensis) 		PF02622
(DUF179) 		5 LEU A 103
LEU A 157
VAL A  85
GLY A  83
TYR A  26
 None
 1.32A 1y4lB-2gzoA:
undetectable		 1y4lB-2gzoA:
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.
2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP

(Homo sapiens) 		PF01853
(MOZ_SAS) 		5 LEU A 210
LEU A 267
VAL A 207
TYR A 198
LYS A 216
 None
 1.41A 1y4lB-2ou2A:
undetectable		 1y4lB-2ou2A:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
LEU A   5
VAL A  31
HIS A  48
TYR A  52
 None
PEG  A 401 ( 4.3A)
SO4  A 301 ( 3.6A)
PEG  A 401 ( 4.9A)
None
 1.05A 1y4lB-2ph4A:
23.1		 1y4lB-2ph4A:
74.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   5
VAL A  31
HIS A  48
TYR A  52
LYS A  70
 PEG  A 401 ( 4.3A)
SO4  A 301 ( 3.6A)
PEG  A 401 ( 4.9A)
None
None
 0.70A 1y4lB-2ph4A:
23.1		 1y4lB-2ph4A:
74.38
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.
2pju PROPIONATE
CATABOLISM OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF06506
(PrpR_N) 		5 LEU A 161
VAL A 157
GLY A 108
ARG A 133
TYR A 135
 None
 1.36A 1y4lB-2pjuA:
undetectable		 1y4lB-2pjuA:
18.75
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		5 LEU A 579
LEU A 576
VAL A 588
GLY A 591
ARG A 599
 None
 1.13A 1y4lB-2rfoA:
undetectable		 1y4lB-2rfoA:
10.66
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE

(Nipah
henipavirus) 		PF00423
(HN) 		5 LEU A 592
LEU A 577
VAL A 255
GLY A 253
TYR A 231
 None
 1.48A 1y4lB-2vsmA:
undetectable		 1y4lB-2vsmA:
14.39
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 196
LEU A 188
VAL A 158
GLY A 174
ARG A 173
 None
 1.49A 1y4lB-2wskA:
undetectable		 1y4lB-2wskA:
10.57
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.
2x1g CADMUS

(Drosophila
melanogaster) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		6 LEU F 149
LEU F 145
VAL F 182
ARG F 188
TYR F 189
LYS F 191
 None
 1.28A 1y4lB-2x1gF:
undetectable		 1y4lB-2x1gF:
8.24
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 369
LEU B 384
VAL B 374
GLY B 376
ARG B 377
 None
 0.99A 1y4lB-3hkzB:
undetectable		 1y4lB-3hkzB:
7.53
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 LEU A1471
LEU A1472
VAL A 875
GLY A 877
ARG A 878
 None
 1.29A 1y4lB-3jb9A:
undetectable		 1y4lB-3jb9A:
3.52
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 LEU A4140
LEU A4112
VAL A4187
GLY A4121
ARG A4122
 None
 1.34A 1y4lB-3kciA:
undetectable		 1y4lB-3kciA:
15.14
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.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		5 LEU A 426
LEU A 493
VAL A 452
GLY A 450
ARG A 448
 None
None
GOL  A 653 (-4.3A)
GOL  A 653 (-3.5A)
GOL  A 652 (-3.8A)
 1.46A 1y4lB-3nsjA:
undetectable		 1y4lB-3nsjA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v9m PHOSPHOLIPASE A2
ISOZYME PA-11

(Pseudechis
australis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
HIS A  48
TYR A  52
LYS A  63
 EDO  A 201 ( 4.7A)
CA  A 205 (-4.4A)
EDO  A 201 ( 4.0A)
EDO  A 201 ( 4.8A)
PEG  A 206 (-2.2A)
 0.76A 1y4lB-3v9mA:
18.3		 1y4lB-3v9mA:
39.53
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.
3wxm PROTEIN PELOTA
HOMOLOG

(Aeropyrum
pernix) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 LEU B 141
LEU B 152
VAL B 183
ARG B 190
HIS B 189
 None
 1.03A 1y4lB-3wxmB:
undetectable		 1y4lB-3wxmB:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e14 KYNURENINE
FORMAMIDASE

(Drosophila
melanogaster) 		PF07859
(Abhydrolase_3) 		5 LEU A 196
LEU A 193
GLY A  87
HIS A 161
LYS A 158
 None
None
EDO  A 404 (-3.6A)
None
SEB  A 157 ( 2.8A)
 1.24A 1y4lB-4e14A:
undetectable		 1y4lB-4e14A:
16.78
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 LEU A1157
LEU A1161
VAL A1153
GLY A1070
HIS A1241
 None
 1.42A 1y4lB-4guaA:
undetectable		 1y4lB-4guaA:
11.65
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.
4ixa RESPONSE REGULATOR
SAER

(Staphylococcus
epidermidis) 		PF00486
(Trans_reg_C) 		5 LEU A 178
LEU A 161
VAL A 172
GLY A 170
LYS A 181
 None
 1.05A 1y4lB-4ixaA:
undetectable		 1y4lB-4ixaA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kps HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 106
LEU A 100
VAL A 178
GLY A 257
ARG A 118
 None
 1.48A 1y4lB-4kpsA:
undetectable		 1y4lB-4kpsA:
18.47
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.
4mb2 PHOSPHOPANTOTHENATE
SYNTHETASE

(Thermococcus
onnurineus) 		PF02006
(PPS_PS) 		5 LEU A  99
LEU A 127
VAL A  80
GLY A  78
ARG A 110
 None
 1.43A 1y4lB-4mb2A:
undetectable		 1y4lB-4mb2A:
18.47
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.
4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE

(Alicyclobacillus
acidocaldarius) 		PF00016
(RuBisCO_large) 		5 LEU A  94
LEU A  93
VAL A 286
GLY A 288
ARG A 292
 None
 1.13A 1y4lB-4nasA:
undetectable		 1y4lB-4nasA:
14.10
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A  94
LEU A 102
VAL A  27
GLY A  31
ARG A  30
 None
 1.03A 1y4lB-4nreA:
undetectable		 1y4lB-4nreA:
9.51
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.
4p5t PROTEIN OF 3K
PEPTIDE
(FEAQKAKANKAVD),LINK
ER REGION -
GGGGSLVPRGSGGGG,H-2
CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A BETA
CHAIN,H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A BETA
CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		5 LEU D 116
LEU D 104
VAL D 171
GLY D 169
ARG D 168
 None
 1.19A 1y4lB-4p5tD:
undetectable		 1y4lB-4p5tD:
16.51
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.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 379
LEU A 361
VAL A 514
GLY A 519
ARG A 520
 None
 1.50A 1y4lB-4r70A:
undetectable		 1y4lB-4r70A:
10.19
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.
4rcw SLIT AND NTRK-LIKE
PROTEIN 1

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 476
LEU A 452
VAL A 490
GLY A 465
ARG A 440
 None
 1.50A 1y4lB-4rcwA:
undetectable		 1y4lB-4rcwA:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rfp ACIDIC PHOSPHOLIPASE
A2 5

(Trimeresurus
stejnegeri) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
HIS A  47
TYR A  51
LYS A  60
 None
 1.31A 1y4lB-4rfpA:
20.7		 1y4lB-4rfpA:
49.59
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.
4rh0 SPORE PHOTOPRODUCT
LYASE

(Geobacillus
thermodenitrificans) 		no annotation 5 LEU A 154
LEU A 181
VAL A 172
GLY A 230
TYR A 227
 None
None
EEM  A 401 (-3.9A)
None
None
 1.25A 1y4lB-4rh0A:
undetectable		 1y4lB-4rh0A:
15.54
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.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL

(Candida
tropicalis) 		no annotation 5 LEU A 327
LEU A 333
GLY A 320
HIS A 182
LYS A 328
 None
 1.44A 1y4lB-4w99A:
undetectable		 1y4lB-4w99A:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wtb BASIC PHOSPHOLIPASE
A2 HOMOLOG
BOTHROPSTOXIN-1

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		10 LEU A   2
LEU A   5
VAL A  30
GLY A  32
ARG A  33
HIS A  47
LYS A  48
TYR A  51
LYS A  60
LYS A  61
 None
None
None
None
None
ZN  A 201 (-3.1A)
ZN  A 201 ( 4.2A)
None
None
None
 0.95A 1y4lB-4wtbA:
24.1		 1y4lB-4wtbA:
94.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wtb BASIC PHOSPHOLIPASE
A2 HOMOLOG
BOTHROPSTOXIN-1

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		7 LEU A   5
VAL A  30
ARG A  33
HIS A  47
LYS A  48
TYR A  51
LYS A  52
 None
None
None
ZN  A 201 (-3.1A)
ZN  A 201 ( 4.2A)
None
None
 0.82A 1y4lB-4wtbA:
24.1		 1y4lB-4wtbA:
94.21
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 LEU A 183
LEU A 180
VAL A 202
GLY A  38
ARG A  37
 None
 1.31A 1y4lB-4yweA:
undetectable		 1y4lB-4yweA:
16.16
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.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		5 LEU A 153
LEU A 149
VAL A 113
GLY A 222
TYR A  58
 None
 1.45A 1y4lB-5a2oA:
undetectable		 1y4lB-5a2oA:
11.86
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 LEU B1296
LEU B1295
VAL B1247
ARG B1527
LYS B1520
 None
 1.29A 1y4lB-5hzkB:
undetectable		 1y4lB-5hzkB:
12.55
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF02322
(Cyt_bd_oxida_II) 		5 LEU B 157
VAL B 143
GLY B 149
HIS B 223
LYS B 156
 None
 1.29A 1y4lB-5ir6B:
1.2		 1y4lB-5ir6B:
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 LEU A 472
LEU A 469
VAL A 437
GLY A 406
ARG A 389
 None
 1.33A 1y4lB-5l44A:
undetectable		 1y4lB-5l44A:
10.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ouo PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 LEU A 987
VAL A 931
GLY A 937
ARG A1060
HIS A 990
 None
None
None
CL  A1103 (-3.6A)
None
 1.33A 1y4lB-5ouoA:
undetectable		 1y4lB-5ouoA:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
HIS A  48
TYR A  52
LYS A  69
 None
 1.09A 1y4lB-5tfvA:
20.7		 1y4lB-5tfvA:
59.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  33
HIS A  48
TYR A  52
LYS A  69
 None
 1.00A 1y4lB-5tfvA:
20.7		 1y4lB-5tfvA:
59.84
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 268
LEU A 272
GLY A 160
HIS A 292
TYR A 383
 None
 1.20A 1y4lB-5um6A:
undetectable		 1y4lB-5um6A:
7.89
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 5 LEU A 158
LEU A 236
VAL A 142
GLY A 154
ARG A 153
 None
None
None
None
SO4  A 806 (-3.3A)
 1.48A 1y4lB-5x3jA:
undetectable		 1y4lB-5x3jA:
18.97
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.
6ce2 -

(-) 		no annotation 6 LEU A   2
LEU A   5
ARG A  34
HIS A  48
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 4.7A)
None
None
None
None
 1.09A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
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.
6ce2 -

(-) 		no annotation 7 LEU A   2
LEU A   5
VAL A  31
GLY A  33
HIS A  48
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 4.7A)
None
None
None
None
None
 0.76A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
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.
6ce2 -

(-) 		no annotation 5 LEU A   5
ARG A  34
HIS A  48
TYR A  52
LYS A  53
 PE4  A 201 ( 4.7A)
None
None
None
None
 1.19A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 LEU A 216
LEU A  92
GLY A 371
HIS A 386
LYS A 237
 None
 1.37A 1y4lB-6et9A:
undetectable		 1y4lB-6et9A:
16.10