SIMILAR PATTERNS OF AMINO ACIDS FOR 4D1Y_A_RBFA1176

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.
1bt4 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF00266
(Aminotran_5) 		4 GLN A 138
GLN A 140
LYS A 112
THR A 117
 None
 1.06A 4d1yA-1bt4A:
undetectable
4d1yB-1bt4A:
undetectable		 4d1yA-1bt4A:
17.55
4d1yB-1bt4A:
17.55
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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		4 GLN B 195
ASN B   5
GLN B 243
THR B   9
 None
 1.08A 4d1yA-1ccwB:
undetectable
4d1yB-1ccwB:
undetectable		 4d1yA-1ccwB:
16.53
4d1yB-1ccwB:
16.53
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.
1fs0 ATP SYNTHASE GAMMA
SUBUNIT

(Escherichia
coli) 		PF00231
(ATP-synt) 		4 ASN G 235
GLN G 181
ASN G 177
THR G 178
 None
 1.28A 4d1yA-1fs0G:
2.4
4d1yB-1fs0G:
2.5		 4d1yA-1fs0G:
19.31
4d1yB-1fs0G:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gm1 PROTEIN TYROSINE
PHOSPHATASE

(Mus musculus) 		PF00595
(PDZ) 		4 GLN A  80
ASN A  34
LYS A  45
THR A  30
 None
 1.45A 4d1yA-1gm1A:
undetectable
4d1yB-1gm1A:
undetectable		 4d1yA-1gm1A:
18.18
4d1yB-1gm1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hpl LIPASE

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 GLN A 306
ASN A 425
TRP A 338
THR A 329
 None
 1.39A 4d1yA-1hplA:
2.4
4d1yB-1hplA:
2.4		 4d1yA-1hplA:
19.81
4d1yB-1hplA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iqq S3-RNASE

(Pyrus pyrifolia) 		PF00445
(Ribonuclease_T2) 		4 GLN A   9
ASN A  70
TRP A  68
GLN A  11
 None
 1.33A 4d1yA-1iqqA:
undetectable
4d1yB-1iqqA:
undetectable		 4d1yA-1iqqA:
19.38
4d1yB-1iqqA:
19.38
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.
1iqq S3-RNASE

(Pyrus pyrifolia) 		PF00445
(Ribonuclease_T2) 		4 GLN A  11
GLN A   9
ASN A  70
TRP A  68
 None
 1.31A 4d1yA-1iqqA:
undetectable
4d1yB-1iqqA:
undetectable		 4d1yA-1iqqA:
19.38
4d1yB-1iqqA:
19.38
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 ASN L 451
ASN L 379
THR L 380
TRP L 382
 None
 1.01A 4d1yA-1kfuL:
undetectable
4d1yB-1kfuL:
undetectable		 4d1yA-1kfuL:
12.66
4d1yB-1kfuL:
12.66
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.
1kw2 VITAMIN D-BINDING
PROTEIN

(Homo sapiens) 		PF00273
(Serum_albumin)
PF09164
(VitD-bind_III) 		4 GLN A 222
ASN A 456
ASN A 217
THR A 214
 None
 1.31A 4d1yA-1kw2A:
undetectable
4d1yB-1kw2A:
undetectable		 4d1yA-1kw2A:
18.52
4d1yB-1kw2A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 GLN B 306
ASN B 425
TRP B 338
THR B 329
 None
 1.44A 4d1yA-1lpbB:
2.7
4d1yB-1lpbB:
3.1		 4d1yA-1lpbB:
18.02
4d1yB-1lpbB:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		4 ASN A 266
TRP A 309
THR A 240
TRP A 261
 None
 1.44A 4d1yA-1ni5A:
undetectable
4d1yB-1ni5A:
2.6		 4d1yA-1ni5A:
17.69
4d1yB-1ni5A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p4p OUTER SURFACE
PROTEIN B

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		4 ASN A 233
LYS A 206
ASN A 227
THR A 211
 None
 1.31A 4d1yA-1p4pA:
undetectable
4d1yB-1p4pA:
undetectable		 4d1yA-1p4pA:
25.57
4d1yB-1p4pA:
25.57
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		4 ASN A 203
GLN A 141
LYS A 116
THR A 118
 None
 1.43A 4d1yA-1sfrA:
2.4
4d1yB-1sfrA:
2.9		 4d1yA-1sfrA:
23.24
4d1yB-1sfrA:
23.24
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.
1tot CREB-BINDING PROTEIN

(Mus musculus) 		PF00569
(ZZ) 		4 ASN A  33
LYS A   1
ASN A  10
THR A   8
 None
 1.44A 4d1yA-1totA:
undetectable
4d1yB-1totA:
undetectable		 4d1yA-1totA:
12.56
4d1yB-1totA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1twy ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Vibrio cholerae) 		PF12727
(PBP_like) 		4 GLN A 142
ASN A 197
ASN A 133
THR A 132
 None
 1.36A 4d1yA-1twyA:
undetectable
4d1yB-1twyA:
undetectable		 4d1yA-1twyA:
22.30
4d1yB-1twyA:
22.30
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		4 GLN A 113
GLN A 235
ASN A 206
THR A 207
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 4.9A)
None
None
 1.33A 4d1yA-1ua4A:
5.0
4d1yB-1ua4A:
4.7		 4d1yA-1ua4A:
19.35
4d1yB-1ua4A:
19.35
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.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		4 GLN A  68
ASN A  55
GLN A  22
THR A  62
 None
 1.00A 4d1yA-1vkhA:
undetectable
4d1yB-1vkhA:
3.2		 4d1yA-1vkhA:
23.84
4d1yB-1vkhA:
23.84
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.
1w99 PESTICIDIAL CRYSTAL
PROTEIN CRY4BA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLN A 140
ASN A 139
TRP A 133
THR A 148
 None
None
None
BR  A1665 ( 4.0A)
 1.42A 4d1yA-1w99A:
undetectable
4d1yB-1w99A:
undetectable		 4d1yA-1w99A:
16.98
4d1yB-1w99A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLN A1001
ASN A 962
THR A 961
TRP A 963
 None
None
IOD  A9037 ( 4.3A)
IOD  A9037 (-4.5A)
 1.13A 4d1yA-1xc6A:
undetectable
4d1yB-1xc6A:
undetectable		 4d1yA-1xc6A:
11.35
4d1yB-1xc6A:
11.35
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.
2aje TELOMERE
REPEAT-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00249
(Myb_DNA-binding) 		4 GLN A  95
ASN A  88
THR A  33
TRP A  93
 None
 1.23A 4d1yA-2ajeA:
undetectable
4d1yB-2ajeA:
undetectable		 4d1yA-2ajeA:
18.78
4d1yB-2ajeA:
18.78
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.
2c4i AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		4 ASN A 121
ASN A  14
THR A  21
TRP A  15
 None
None
None
BTN  A1274 (-3.6A)
 1.26A 4d1yA-2c4iA:
undetectable
4d1yB-2c4iA:
undetectable		 4d1yA-2c4iA:
19.34
4d1yB-2c4iA:
19.34
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.
2c4i AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		4 ASN A 242
ASN A 269
THR A 142
TRP A 270
 None
None
None
BTN  A1275 (-3.6A)
 1.34A 4d1yA-2c4iA:
undetectable
4d1yB-2c4iA:
undetectable		 4d1yA-2c4iA:
19.34
4d1yB-2c4iA:
19.34
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF13247
(Fer4_11) 		4 ASN B 224
TRP B  42
GLN B 229
ASN B  40
 SF4  B1359 (-4.1A)
SF4  B1359 (-4.5A)
None
None
 1.31A 4d1yA-2ivfB:
undetectable
4d1yB-2ivfB:
undetectable		 4d1yA-2ivfB:
21.15
4d1yB-2ivfB:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		4 ASN A 448
LYS A 528
ASN A 390
THR A 392
 None
GOL  A 604 (-2.9A)
None
None
 1.20A 4d1yA-2iwbA:
undetectable
4d1yB-2iwbA:
undetectable		 4d1yA-2iwbA:
23.19
4d1yB-2iwbA:
23.19
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.
2mvo PUTATIVE LIPOPROTEIN

(Microbispora
sp. ATCC
PTA-5024) 		PF10709
(DUF2511) 		4 ASN A  66
GLN A  60
ASN A 136
THR A 134
 None
 1.44A 4d1yA-2mvoA:
undetectable
4d1yB-2mvoA:
undetectable		 4d1yA-2mvoA:
22.51
4d1yB-2mvoA:
22.51
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.
2rkj TYROSYL-TRNA
SYNTHETASE

(Neurospora
crassa) 		PF00579
(tRNA-synt_1b) 		4 ASN A  51
GLN A  53
THR A  93
TRP A  52
 None
 1.18A 4d1yA-2rkjA:
2.0
4d1yB-2rkjA:
2.1		 4d1yA-2rkjA:
18.66
4d1yB-2rkjA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT

(Rattus
norvegicus) 		PF01602
(Adaptin_N) 		4 GLN A 333
ASN A 307
ASN A 289
THR A 286
 None
 1.45A 4d1yA-2xa7A:
undetectable
4d1yB-2xa7A:
undetectable		 4d1yA-2xa7A:
13.94
4d1yB-2xa7A:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 GLN A 187
ASN A 206
LYS A 323
TRP A 350
 None
 1.33A 4d1yA-2xvgA:
undetectable
4d1yB-2xvgA:
undetectable		 4d1yA-2xvgA:
11.60
4d1yB-2xvgA:
11.60
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.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		4 ASN A 174
LYS A  61
ASN A  86
THR A  60
 PCA  A  18 ( 3.6A)
None
None
None
 1.41A 4d1yA-2yokA:
undetectable
4d1yB-2yokA:
undetectable		 4d1yA-2yokA:
18.38
4d1yB-2yokA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASN A 926
LYS A 955
ASN A 603
THR A 922
 None
None
MN  A   1 (-3.0A)
None
 1.45A 4d1yA-2zxqA:
undetectable
4d1yB-2zxqA:
undetectable		 4d1yA-2zxqA:
9.74
4d1yB-2zxqA:
9.74
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 GLN A 611
LYS A 955
ASN A 603
THR A 922
 None
None
MN  A   1 (-3.0A)
None
 1.34A 4d1yA-2zxqA:
undetectable
4d1yB-2zxqA:
undetectable		 4d1yA-2zxqA:
9.74
4d1yB-2zxqA:
9.74
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 ASN A  66
GLN A 106
ASN A 104
THR A 103
 None
 1.32A 4d1yA-3abzA:
3.5
4d1yB-3abzA:
3.5		 4d1yA-3abzA:
12.34
4d1yB-3abzA:
12.34
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.
3b4y PROBABLE
F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE FGD1

(Mycobacterium
tuberculosis) 		PF00296
(Bac_luciferase) 		4 GLN A 317
GLN A  14
ASN A 245
THR A 246
 None
 1.06A 4d1yA-3b4yA:
undetectable
4d1yB-3b4yA:
undetectable		 4d1yA-3b4yA:
22.74
4d1yB-3b4yA:
22.74
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.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv) 		4 GLN C 120
GLN C 118
ASN C  25
THR C  16
 None
 1.03A 4d1yA-3cjiC:
undetectable
4d1yB-3cjiC:
undetectable		 4d1yA-3cjiC:
22.01
4d1yB-3cjiC:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cne PUTATIVE PROTEASE I

(Bacteroides
thetaiotaomicron) 		PF01965
(DJ-1_PfpI) 		5 GLN A  20
LYS A 147
ASN A 161
THR A 162
TRP A 164
 None
 0.68A 4d1yA-3cneA:
35.9
4d1yB-3cneA:
35.5		 4d1yA-3cneA:
87.50
4d1yB-3cneA:
87.50
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 GLN A 572
ASN A 546
THR A 601
TRP A 550
 None
 1.38A 4d1yA-3d3aA:
2.8
4d1yB-3d3aA:
undetectable		 4d1yA-3d3aA:
15.61
4d1yB-3d3aA:
15.61
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.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		4 GLN A 431
LYS A 307
ASN A 429
THR A 428
 None
 1.27A 4d1yA-3djdA:
undetectable
4d1yB-3djdA:
undetectable		 4d1yA-3djdA:
17.69
4d1yB-3djdA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		4 GLN A 247
GLN A 246
ASN A 208
THR A 210
 None
 1.36A 4d1yA-3fxbA:
undetectable
4d1yB-3fxbA:
undetectable		 4d1yA-3fxbA:
20.69
4d1yB-3fxbA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h41 NLP/P60 FAMILY
PROTEIN

(Bacillus cereus) 		PF00877
(NLPC_P60) 		4 GLN A 109
GLN A  90
ASN A 167
THR A 168
 None
 1.19A 4d1yA-3h41A:
undetectable
4d1yB-3h41A:
undetectable		 4d1yA-3h41A:
21.66
4d1yB-3h41A:
21.66
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.
3i1l HEMAGGLUTININ-ESTERA
SE PROTEIN

(Porcine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 ASN A 177
TRP A  83
GLN A 179
THR A 164
 None
None
NAG  A5155 (-4.0A)
SIO  A1001 (-4.3A)
 1.36A 4d1yA-3i1lA:
undetectable
4d1yB-3i1lA:
undetectable		 4d1yA-3i1lA:
16.93
4d1yB-3i1lA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipl 2-SUCCINYLBENZOATE--
COA LIGASE

(Staphylococcus
aureus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 176
ASN A  87
ASN A  77
THR A  78
 None
 1.23A 4d1yA-3iplA:
undetectable
4d1yB-3iplA:
2.1		 4d1yA-3iplA:
18.28
4d1yB-3iplA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mnz ANTI-HIV-1 ANTIBODY
13H11 LIGHT CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN A  90
ASN A  93
THR A  94
TRP A  96
 None
 1.18A 4d1yA-3mnzA:
undetectable
4d1yB-3mnzA:
undetectable		 4d1yA-3mnzA:
21.63
4d1yB-3mnzA:
21.63
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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis) 		PF03051
(Peptidase_C1_2) 		4 ASN A 354
GLN A 317
ASN A 313
THR A 314
 None
 1.17A 4d1yA-3pw3A:
undetectable
4d1yB-3pw3A:
undetectable		 4d1yA-3pw3A:
18.86
4d1yB-3pw3A:
18.86
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.
3rgq PROTEIN-TYROSINE
PHOSPHATASE
MITOCHONDRIAL 1

(Mus musculus) 		PF00782
(DSPc) 		4 ASN A 140
GLN A 162
ASN A 150
THR A 151
 None
 1.45A 4d1yA-3rgqA:
undetectable
4d1yB-3rgqA:
undetectable		 4d1yA-3rgqA:
21.57
4d1yB-3rgqA:
21.57
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 ASN A 259
ASN A 253
THR A 252
TRP A 258
 IOD  A 935 ( 4.7A)
None
None
None
 1.15A 4d1yA-3s1sA:
2.6
4d1yB-3s1sA:
2.8		 4d1yA-3s1sA:
12.76
4d1yB-3s1sA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttl POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		4 ASN A  84
ASN A 135
THR A 134
TRP A 271
 None
 1.18A 4d1yA-3ttlA:
undetectable
4d1yB-3ttlA:
undetectable		 4d1yA-3ttlA:
20.88
4d1yB-3ttlA:
20.88
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 GLN A 538
ASN A 320
TRP A 321
THR A 300
 None
 1.39A 4d1yA-3w6qA:
undetectable
4d1yB-3w6qA:
undetectable		 4d1yA-3w6qA:
15.09
4d1yB-3w6qA:
15.09
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.
3wla OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Sphingopyxis
sp. 113P3) 		no annotation 4 ASN A 295
TRP A 292
ASN A 285
THR A 286
 None
 0.95A 4d1yA-3wlaA:
undetectable
4d1yB-3wlaA:
3.0		 4d1yA-3wlaA:
19.94
4d1yB-3wlaA:
19.94
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.
3zlc ER-DERIVED VESICLES
PROTEIN ERV41

(Saccharomyces
cerevisiae) 		PF07970
(COPIIcoated_ERV)
PF13850
(ERGIC_N) 		4 GLN A  87
ASN A 284
ASN A 171
THR A  64
 None
 1.26A 4d1yA-3zlcA:
undetectable
4d1yB-3zlcA:
undetectable		 4d1yA-3zlcA:
19.84
4d1yB-3zlcA:
19.84
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.
4bct THAUMATIN-LIKE
PROTEIN

(Actinidia
deliciosa) 		PF00314
(Thaumatin) 		4 ASN A  90
GLN A 100
ASN A 103
THR A  86
 None
 1.40A 4d1yA-4bctA:
undetectable
4d1yB-4bctA:
undetectable		 4d1yA-4bctA:
21.85
4d1yB-4bctA:
21.85
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.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		4 ASN A 165
ASN A 114
THR A 115
TRP A 117
 None
PGE  A1508 (-4.0A)
None
None
 0.78A 4d1yA-4ci7A:
undetectable
4d1yB-4ci7A:
undetectable		 4d1yA-4ci7A:
17.83
4d1yB-4ci7A:
17.83
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		4 GLN A 313
ASN A 306
ASN A 316
THR A 286
 None
 1.18A 4d1yA-4conA:
undetectable
4d1yB-4conA:
undetectable		 4d1yA-4conA:
14.66
4d1yB-4conA:
14.66
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.
4h8a UREIDOGLYCOLATE
DEHYDROGENASE

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 ASN A 271
GLN A 102
ASN A 104
THR A 100
 None
 1.35A 4d1yA-4h8aA:
undetectable
4d1yB-4h8aA:
undetectable		 4d1yA-4h8aA:
21.10
4d1yB-4h8aA:
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.
4hjj ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN L 202
TRP L 207
GLN L 203
ASN L 145
 None
 1.44A 4d1yA-4hjjL:
undetectable
4d1yB-4hjjL:
undetectable		 4d1yA-4hjjL:
21.09
4d1yB-4hjjL:
21.09
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.
4hjj ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN L 203
ASN L 145
GLN L 202
TRP L 207
 None
 1.42A 4d1yA-4hjjL:
undetectable
4d1yB-4hjjL:
undetectable		 4d1yA-4hjjL:
21.09
4d1yB-4hjjL:
21.09
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.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		4 GLN A 186
ASN A 299
GLN A 182
THR A   9
 None
None
LLP  A 205 ( 3.9A)
None
 0.95A 4d1yA-4isyA:
2.4
4d1yB-4isyA:
2.4		 4d1yA-4isyA:
21.14
4d1yB-4isyA:
21.14
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ASN A 255
GLN A  77
ASN A 365
THR A 364
 None
 1.42A 4d1yA-4oqjA:
undetectable
4d1yB-4oqjA:
undetectable		 4d1yA-4oqjA:
12.05
4d1yB-4oqjA:
12.05
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.
4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Chitinophaga
pinensis) 		PF13472
(Lipase_GDSL_2) 		4 ASN A  97
TRP A 100
ASN A 169
TRP A  99
 PG4  A 301 ( 4.3A)
None
None
None
 1.26A 4d1yA-4q7qA:
4.1
4d1yB-4q7qA:
3.7		 4d1yA-4q7qA:
21.30
4d1yB-4q7qA:
21.30
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.
4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Chitinophaga
pinensis) 		PF13472
(Lipase_GDSL_2) 		4 ASN A 169
TRP A  99
ASN A  97
TRP A 100
 None
None
PG4  A 301 ( 4.3A)
None
 1.27A 4d1yA-4q7qA:
4.1
4d1yB-4q7qA:
3.7		 4d1yA-4q7qA:
21.30
4d1yB-4q7qA:
21.30
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.
4r3f SPLICEOSOMAL PROTEIN
CWC27

(Chaetomium
thermophilum) 		PF00160
(Pro_isomerase) 		4 GLN A  42
ASN A 197
ASN A  39
THR A  36
 EDO  A 308 (-2.8A)
EDO  A 308 (-2.6A)
None
None
 1.22A 4d1yA-4r3fA:
undetectable
4d1yB-4r3fA:
undetectable		 4d1yA-4r3fA:
23.79
4d1yB-4r3fA:
23.79
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.
4r4h HIV-1 ENV GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 LYS A 404
ASN A 395
THR A 393
TRP A 394
 None
 1.25A 4d1yA-4r4hA:
undetectable
4d1yB-4r4hA:
undetectable		 4d1yA-4r4hA:
19.31
4d1yB-4r4hA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		4 ASN A 514
LYS A 472
ASN A 654
THR A 653
 None
 1.17A 4d1yA-4rulA:
undetectable
4d1yB-4rulA:
undetectable		 4d1yA-4rulA:
12.00
4d1yB-4rulA:
12.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		4 GLN A 454
ASN A 585
GLN A 450
THR A 523
 None
 1.23A 4d1yA-4ufcA:
undetectable
4d1yB-4ufcA:
undetectable		 4d1yA-4ufcA:
13.30
4d1yB-4ufcA:
13.30
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 GLN A 377
ASN A 479
ASN A 437
THR A 436
 None
 1.42A 4d1yA-4v2xA:
2.2
4d1yB-4v2xA:
undetectable		 4d1yA-4v2xA:
16.14
4d1yB-4v2xA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLN A 341
TRP A 367
ASN A 342
THR A 363
 None
None
NAG  A 807 (-1.8A)
NAG  A 807 ( 4.9A)
 1.09A 4d1yA-4wjlA:
undetectable
4d1yB-4wjlA:
undetectable		 4d1yA-4wjlA:
14.06
4d1yB-4wjlA:
14.06
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16
HT593.1 GP120
LIGHT CHAIN OF HJ16

(Homo sapiens;
Human
immunodeficiency
virus) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		4 GLN L  97
ASN G 460
GLN L  96
TRP H  47
 None
 1.39A 4d1yA-4ye4L:
undetectable
4d1yB-4ye4L:
undetectable		 4d1yA-4ye4L:
21.49
4d1yB-4ye4L:
21.49
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 ASN A 364
ASN A 599
THR A 368
TRP A 600
 None
 1.41A 4d1yA-4ye5A:
undetectable
4d1yB-4ye5A:
undetectable		 4d1yA-4ye5A:
14.99
4d1yB-4ye5A:
14.99
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLN A 177
ASN A 213
GLN A 334
ASN A 336
 None
None
GOL  A 504 (-3.8A)
GOL  A 503 (-3.3A)
 1.42A 4d1yA-4ywoA:
undetectable
4d1yB-4ywoA:
3.2		 4d1yA-4ywoA:
20.48
4d1yB-4ywoA:
20.48
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLN A 334
ASN A 336
GLN A 177
ASN A 213
 GOL  A 504 (-3.8A)
GOL  A 503 (-3.3A)
None
None
 1.43A 4d1yA-4ywoA:
undetectable
4d1yB-4ywoA:
3.2		 4d1yA-4ywoA:
20.48
4d1yB-4ywoA:
20.48
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.
5c6k INTEGRASE

(Escherichia
virus P2) 		PF00589
(Phage_integrase) 		4 GLN A 290
GLN A 300
ASN A 219
THR A 218
 None
 1.08A 4d1yA-5c6kA:
undetectable
4d1yB-5c6kA:
undetectable		 4d1yA-5c6kA:
20.34
4d1yB-5c6kA:
20.34
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.
5d6b FUMARATE HYDRATASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 GLN A  71
ASN A 178
ASN A 152
THR A 149
 None
 1.44A 4d1yA-5d6bA:
undetectable
4d1yB-5d6bA:
undetectable		 4d1yA-5d6bA:
17.20
4d1yB-5d6bA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		4 GLN A 481
ASN A 409
ASN A 483
THR A 502
 None
 1.39A 4d1yA-5dsyA:
undetectable
4d1yB-5dsyA:
undetectable		 4d1yA-5dsyA:
23.78
4d1yB-5dsyA:
23.78
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.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		4 ASN A  81
GLN A  74
ASN A  95
THR A  72
 None
 1.40A 4d1yA-5dteA:
4.8
4d1yB-5dteA:
4.7		 4d1yA-5dteA:
27.39
4d1yB-5dteA:
27.39
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 GLN A 265
TRP A 277
ASN A 100
THR A  99
 None
None
NAG  A 501 (-1.9A)
None
 1.21A 4d1yA-5egeA:
undetectable
4d1yB-5egeA:
undetectable		 4d1yA-5egeA:
18.62
4d1yB-5egeA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASN G 392
TRP G 338
ASN G 334
THR G 413
 NAG  G 511 (-1.9A)
None
NAG  G 508 (-1.8A)
None
 1.25A 4d1yA-5f9oG:
undetectable
4d1yB-5f9oG:
undetectable		 4d1yA-5f9oG:
19.43
4d1yB-5f9oG:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3l METHYLGLYOXAL
SYNTHASE

(synthetic
construct) 		PF02142
(MGS) 		4 ASN A  28
TRP A  29
ASN A 119
THR A 118
 None
 1.31A 4d1yA-5h3lA:
2.3
4d1yB-5h3lA:
2.5		 4d1yA-5h3lA:
17.59
4d1yB-5h3lA:
17.59
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.
5h6n PIERISIN-1

(Pieris rapae) 		no annotation 4 GLN A 163
ASN A 107
TRP A 160
GLN A 165
 None
 1.35A 4d1yA-5h6nA:
undetectable
4d1yB-5h6nA:
undetectable		 4d1yA-5h6nA:
20.49
4d1yB-5h6nA:
20.49
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.
5h6n PIERISIN-1

(Pieris rapae) 		no annotation 4 GLN A 165
GLN A 163
ASN A 107
TRP A 160
 None
 1.38A 4d1yA-5h6nA:
undetectable
4d1yB-5h6nA:
undetectable		 4d1yA-5h6nA:
20.49
4d1yB-5h6nA:
20.49
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLN A 997
ASN A 958
THR A 957
TRP A 959
 None
 1.14A 4d1yA-5ihrA:
undetectable
4d1yB-5ihrA:
undetectable		 4d1yA-5ihrA:
12.32
4d1yB-5ihrA:
12.32
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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 GLN A 254
GLN A 204
LYS A 133
ASN A 201
 None
 1.41A 4d1yA-5jmdA:
undetectable
4d1yB-5jmdA:
undetectable		 4d1yA-5jmdA:
15.01
4d1yB-5jmdA:
15.01
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 376
ASN A 374
GLN A 351
LYS A 307
 None
 1.31A 4d1yA-5keiA:
3.0
4d1yB-5keiA:
2.8		 4d1yA-5keiA:
15.17
4d1yB-5keiA:
15.17
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 GLN A1293
ASN A1289
GLN A1292
THR A1580
 None
 1.36A 4d1yA-5lkiA:
undetectable
4d1yB-5lkiA:
undetectable		 4d1yA-5lkiA:
5.68
4d1yB-5lkiA:
5.68
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1

(Rhodococcus
jostii) 		PF00296
(Bac_luciferase) 		4 GLN A 316
GLN A  13
ASN A 244
THR A 245
 None
 1.04A 4d1yA-5lxeA:
undetectable
4d1yB-5lxeA:
undetectable		 4d1yA-5lxeA:
19.77
4d1yB-5lxeA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 ASN A 658
ASN A1055
THR A1056
TRP A 656
 None
 1.26A 4d1yA-5mqmA:
4.2
4d1yB-5mqmA:
3.9		 4d1yA-5mqmA:
12.24
4d1yB-5mqmA:
12.24
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 GLN W 424
ASN W 353
GLN W 508
ASN W 536
 None
 1.37A 4d1yA-5o9gW:
undetectable
4d1yB-5o9gW:
undetectable		 4d1yA-5o9gW:
9.07
4d1yB-5o9gW:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		4 ASN A 510
LYS A 532
ASN A 506
THR A 490
 NAG  A1434 ( 3.1A)
None
NAG  A1437 ( 1.8A)
NAG  A1437 ( 4.0A)
 1.33A 4d1yA-5szsA:
undetectable
4d1yB-5szsA:
undetectable		 4d1yA-5szsA:
8.68
4d1yB-5szsA:
8.68
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 GLN A 179
ASN A  93
GLN A 139
ASN A 150
 None
 1.37A 4d1yA-5td7A:
3.6
4d1yB-5td7A:
3.7		 4d1yA-5td7A:
13.09
4d1yB-5td7A:
13.09
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.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 ASN B2635
GLN B2358
THR B2680
TRP B2365
 None
None
SO4  B2802 (-4.0A)
IMD  B2810 ( 4.2A)
 1.13A 4d1yA-5v4bB:
undetectable
4d1yB-5v4bB:
undetectable		 4d1yA-5v4bB:
18.59
4d1yB-5v4bB:
18.59
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 4 TRP A 515
GLN A 510
ASN A 506
THR A 507
 None
 0.96A 4d1yA-5vaeA:
8.2
4d1yB-5vaeA:
8.2		 4d1yA-5vaeA:
16.22
4d1yB-5vaeA:
16.22
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.
5vfd BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		4 GLN A 178
LYS A 150
ASN A 156
THR A 157
 None
 1.31A 4d1yA-5vfdA:
undetectable
4d1yB-5vfdA:
undetectable		 4d1yA-5vfdA:
22.18
4d1yB-5vfdA:
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.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 4 ASN A 380
GLN A 280
LYS A 261
THR A 265
 None
 1.13A 4d1yA-5wa0A:
undetectable
4d1yB-5wa0A:
undetectable		 4d1yA-5wa0A:
20.60
4d1yB-5wa0A:
20.60
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.
5wah IGA FC RECEPTOR

(Streptococcus
agalactiae) 		no annotation 4 GLN A  22
ASN A  26
ASN A  53
THR A  52
 None
 1.40A 4d1yA-5wahA:
undetectable
4d1yB-5wahA:
undetectable		 4d1yA-5wahA:
14.87
4d1yB-5wahA:
14.87
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.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 4 GLN A  81
TRP A  97
GLN A  85
THR A  99
 None
 1.38A 4d1yA-5wxvA:
4.2
4d1yB-5wxvA:
4.0		 4d1yA-5wxvA:
17.00
4d1yB-5wxvA:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bi4 DTDP-GLUCOSE
4,6-DEHYDRATASE

(Bacillus
anthracis) 		no annotation 4 GLN A 185
ASN A 179
ASN A  15
THR A 220
 None
SO4  A 404 (-3.3A)
None
None
 1.37A 4d1yA-6bi4A:
5.9
4d1yB-6bi4A:
5.5		 4d1yA-6bi4A:
23.25
4d1yB-6bi4A:
23.25
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 4 ASN A 129
GLN A 127
THR A 154
TRP A  92
 None
 1.34A 4d1yA-6cv0A:
undetectable
4d1yB-6cv0A:
undetectable		 4d1yA-6cv0A:
16.00
4d1yB-6cv0A:
16.00
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 GLN A 572
ASN A 546
THR A 601
TRP A 550
 None
 1.41A 4d1yA-6eonA:
undetectable
4d1yB-6eonA:
undetectable		 4d1yA-6eonA:
15.50
4d1yB-6eonA:
15.50
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.
6f5o POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 4 GLN C  29
ASN B 156
ASN B 144
THR B 145
 None
 1.40A 4d1yA-6f5oC:
undetectable
4d1yB-6f5oC:
undetectable		 4d1yA-6f5oC:
16.00
4d1yB-6f5oC:
16.00
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.
6fhs INO80
RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 4 GLN A 263
LYS A 202
ASN G1539
THR G1538
 None
 1.13A 4d1yA-6fhsA:
undetectable
4d1yB-6fhsA:
undetectable		 4d1yA-6fhsA:
19.10
4d1yB-6fhsA:
19.10
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.
6h20 -

(-) 		no annotation 4 GLN A 184
GLN A 274
LYS A 161
THR A 162
 None
ASN  A 401 ( 4.8A)
None
ASN  A 401 (-3.8A)
 1.20A 4d1yA-6h20A:
undetectable
4d1yB-6h20A:
undetectable		 4d1yA-6h20A:
undetectable
4d1yB-6h20A:
undetectable