SIMILAR PATTERNS OF AMINO ACIDS FOR 4APJ_A_ACTA1635_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aol GP70

(Murine leukemia
virus) 		PF00429
(TLV_coat) 		4 HIS A 125
ASP A 161
SER A 158
PRO A 127
 None
 1.33A 4apjA-1aolA:
undetectable
4apjP-1aolA:
undetectable		 4apjA-1aolA:
16.90
4apjP-1aolA:
4.98
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.
1be4 NUCLEOSIDE
DIPHOSPHATE
TRANSFERASE

(Bos taurus) 		PF00334
(NDK) 		4 HIS A 118
GLU A 129
ASP A 121
SER A 125
 PCG  A 160 ( 3.7A)
None
None
None
 1.23A 4apjA-1be4A:
undetectable
4apjP-1be4A:
undetectable		 4apjA-1be4A:
14.77
4apjP-1be4A:
12.16
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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 148
GLU A 168
ASP A 172
SER A 231
 ZN  A 350 (-3.3A)
ZN  A 350 (-2.2A)
None
None
 1.00A 4apjA-1bqbA:
5.1
4apjP-1bqbA:
undetectable		 4apjA-1bqbA:
19.76
4apjP-1bqbA:
17.07
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 HIS A 172
ASP A 171
SER A  45
PRO A 176
 None
 1.26A 4apjA-1fohA:
0.0
4apjP-1fohA:
undetectable		 4apjA-1fohA:
21.72
4apjP-1fohA:
6.54
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 HIS A 442
GLU A 485
ASP A 329
SER A 263
 None
CD  A 591 (-2.8A)
None
None
 1.00A 4apjA-1g01A:
undetectable
4apjP-1g01A:
undetectable		 4apjA-1g01A:
20.20
4apjP-1g01A:
4.85
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.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		4 HIS A 110
GLU A 147
ASP A 144
SER A 146
 CD  A 401 (-3.5A)
None
CD  A 402 (-2.3A)
CD  A 402 (-3.1A)
 1.42A 4apjA-1gynA:
undetectable
4apjP-1gynA:
undetectable		 4apjA-1gynA:
21.20
4apjP-1gynA:
3.42
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		4 HIS A 133
GLU A 248
ASP A 279
SER A 250
 None
 0.95A 4apjA-1k0fA:
undetectable
4apjP-1k0fA:
undetectable		 4apjA-1k0fA:
19.38
4apjP-1k0fA:
5.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1leo NUCLEOSIDE
DIPHOSPHATE KINASE

(Dictyostelium
discoideum) 		PF00334
(NDK) 		4 HIS A 122
GLU A 133
ASP A 125
SER A 129
 None
 1.25A 4apjA-1leoA:
undetectable
4apjP-1leoA:
undetectable		 4apjA-1leoA:
13.82
4apjP-1leoA:
5.59
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.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		4 HIS A2544
ASP A2644
SER A2591
PRO A2688
 None
 1.17A 4apjA-1miuA:
0.0
4apjP-1miuA:
undetectable		 4apjA-1miuA:
22.70
4apjP-1miuA:
1.81
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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		4 HIS A 116
GLU A 127
ASP A 119
SER A 123
 None
 1.39A 4apjA-1nb2A:
undetectable
4apjP-1nb2A:
undetectable		 4apjA-1nb2A:
15.11
4apjP-1nb2A:
10.81
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.
1ndl NUCLEOSIDE
DIPHOSPHATE KINASE

(Drosophila
melanogaster) 		PF00334
(NDK) 		4 HIS A 119
GLU A 130
ASP A 122
SER A 126
 None
 1.16A 4apjA-1ndlA:
undetectable
4apjP-1ndlA:
undetectable		 4apjA-1ndlA:
13.02
4apjP-1ndlA:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 147
GLU A 167
ASP A 171
SER A 235
 ZN  A 323 ( 3.2A)
ZN  A 323 ( 2.0A)
None
None
 0.87A 4apjA-1npcA:
4.6
4apjP-1npcA:
undetectable		 4apjA-1npcA:
18.88
4apjP-1npcA:
3.57
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 HIS A 198
ASP A  66
SER A  99
PRO A 209
 None
 1.25A 4apjA-1nylA:
undetectable
4apjP-1nylA:
undetectable		 4apjA-1nylA:
22.72
4apjP-1nylA:
3.80
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.
1psz PROTEIN (SURFACE
ANTIGEN PSAA)

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		4 HIS A 139
GLU A 254
ASP A 280
SER A 256
 ZN  A1000 ( 3.2A)
None
ZN  A1000 ( 2.2A)
None
 1.11A 4apjA-1pszA:
undetectable
4apjP-1pszA:
undetectable		 4apjA-1pszA:
19.52
4apjP-1pszA:
6.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		4 HIS A 451
HIS A 473
GLU A 455
SER A 493
 None
 1.06A 4apjA-1pz3A:
undetectable
4apjP-1pz3A:
undetectable		 4apjA-1pz3A:
20.20
4apjP-1pz3A:
3.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qju PROTEIN VP1

(Rhinovirus A) 		PF00073
(Rhv) 		4 HIS 1 271
GLU 1 269
ASP 1 273
SER 1 267
 None
 1.37A 4apjA-1qju1:
undetectable
4apjP-1qju1:
undetectable		 4apjA-1qju1:
18.23
4apjP-1qju1:
3.64
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.
1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)

(Treponema
pallidum) 		PF01297
(ZnuA) 		4 HIS A 133
GLU A 248
ASP A 279
SER A 250
 ZN  A 501 ( 3.5A)
None
ZN  A 501 ( 2.0A)
None
 1.11A 4apjA-1toaA:
undetectable
4apjP-1toaA:
undetectable		 4apjA-1toaA:
20.24
4apjP-1toaA:
3.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvp CELLULASE

(Pseudoalteromonas
haloplanktis) 		PF00150
(Cellulase) 		4 HIS A 194
GLU A 222
ASP A  98
SER A  25
 None
EPE  A 700 (-3.5A)
None
None
 1.10A 4apjA-1tvpA:
undetectable
4apjP-1tvpA:
undetectable		 4apjA-1tvpA:
20.47
4apjP-1tvpA:
8.33
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.
1u2v ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc) 		4 HIS D  44
GLU D  88
SER D  94
PRO D  48
 None
 1.39A 4apjA-1u2vD:
undetectable
4apjP-1u2vD:
undetectable		 4apjA-1u2vD:
20.91
4apjP-1u2vD:
6.54
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 HIS A  11
GLU A 184
ASP A 460
SER A 459
PRO A 183
 None
 1.32A 4apjA-1ufaA:
4.3
4apjP-1ufaA:
undetectable		 4apjA-1ufaA:
23.39
4apjP-1ufaA:
6.12
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.
1vya NUCLEOSIDE
DIPHOSPHATE KINASE

(Zea mays) 		PF00334
(NDK) 		4 HIS A 115
GLU A 126
ASP A 118
SER A 122
 None
 1.29A 4apjA-1vyaA:
undetectable
4apjP-1vyaA:
undetectable		 4apjA-1vyaA:
14.38
4apjP-1vyaA:
31.25
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.
1xiq NUCLEOSIDE
DIPHOSPHATE KINASE B

(Plasmodium
falciparum) 		PF00334
(NDK) 		4 HIS A 115
GLU A 126
ASP A 118
SER A 122
 None
 1.18A 4apjA-1xiqA:
undetectable
4apjP-1xiqA:
undetectable		 4apjA-1xiqA:
13.87
4apjP-1xiqA:
4.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqi NUCLEOSIDE
DIPHOSPHATE KINASE

(Pyrobaculum
aerophilum) 		PF00334
(NDK) 		4 HIS A 172
GLU A 183
ASP A 175
PRO A  64
 PGE  A 500 ( 3.7A)
PGE  A 500 (-3.7A)
PGE  A 500 (-2.9A)
PGE  A 500 (-4.4A)
 1.12A 4apjA-1xqiA:
undetectable
4apjP-1xqiA:
undetectable		 4apjA-1xqiA:
16.98
4apjP-1xqiA:
7.69
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 HIS A 689
GLU A 672
SER A 532
PRO A 468
 None
 1.38A 4apjA-1z8lA:
2.5
4apjP-1z8lA:
undetectable		 4apjA-1z8lA:
21.40
4apjP-1z8lA:
3.97
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.
1zs6 NUCLEOSIDE
DIPHOSPHATE KINASE 3

(Homo sapiens) 		PF00334
(NDK) 		4 HIS A 135
GLU A 146
ASP A 138
SER A 142
 None
 1.26A 4apjA-1zs6A:
undetectable
4apjP-1zs6A:
undetectable		 4apjA-1zs6A:
14.34
4apjP-1zs6A:
11.39
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 HIS A 458
GLU A 192
ASP A 205
SER A 191
 None
 1.27A 4apjA-2a9cA:
undetectable
4apjP-2a9cA:
undetectable		 4apjA-2a9cA:
19.40
4apjP-2a9cA:
3.48
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 HIS A  80
HIS A 272
ASP A 324
SER A 329
 ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
ACT  A1501 ( 3.9A)
 1.32A 4apjA-2bb0A:
undetectable
4apjP-2bb0A:
undetectable		 4apjA-2bb0A:
22.00
4apjP-2bb0A:
5.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dxf NUCLEOSIDE
DIPHOSPHATE KINASE

(Pyrococcus
horikoshii) 		PF00334
(NDK) 		4 HIS A 124
GLU A 135
ASP A 127
SER A 131
 None
 1.24A 4apjA-2dxfA:
undetectable
4apjP-2dxfA:
undetectable		 4apjA-2dxfA:
14.04
4apjP-2dxfA:
5.43
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.
2gam BETA-1,6-N-ACETYLGLU
COSAMINYLTRANSFERASE

(Mus musculus) 		PF02485
(Branch) 		4 HIS A 376
GLU A 360
ASP A 387
PRO A 371
 None
 1.38A 4apjA-2gamA:
undetectable
4apjP-2gamA:
undetectable		 4apjA-2gamA:
20.17
4apjP-2gamA:
4.74
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.
2gkd CALC

(Micromonospora
echinospora) 		no annotation 4 HIS A 117
HIS A 115
GLU A  96
SER A  94
 None
 1.36A 4apjA-2gkdA:
undetectable
4apjP-2gkdA:
undetectable		 4apjA-2gkdA:
15.63
4apjP-2gkdA:
13.43
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.
2hur NUCLEOSIDE
DIPHOSPHATE KINASE

(Escherichia
coli) 		PF00334
(NDK) 		4 HIS A 117
GLU A 128
ASP A 120
SER A 124
 SO4  A 200 (-3.8A)
None
None
None
 1.09A 4apjA-2hurA:
undetectable
4apjP-2hurA:
undetectable		 4apjA-2hurA:
13.23
4apjP-2hurA:
5.88
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.
2vqx METALLOPROTEINASE

(Serratia
proteamaculans) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
PF16485
(PLN_propep) 		4 HIS A 166
GLU A 186
ASP A 190
SER A 267
 ZN  A1342 (-3.3A)
ZN  A1342 (-2.4A)
None
None
 0.98A 4apjA-2vqxA:
5.9
4apjP-2vqxA:
undetectable		 4apjA-2vqxA:
19.35
4apjP-2vqxA:
4.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 HIS B 237
GLU B  83
ASP B  75
PRO B  78
 None
 1.39A 4apjA-2w55B:
undetectable
4apjP-2w55B:
undetectable		 4apjA-2w55B:
21.85
4apjP-2w55B:
1.66
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		4 HIS A 472
GLU A 301
ASP A 471
SER A 251
 MG  A1636 (-3.4A)
TPO  A 297 ( 4.7A)
MG  A1636 (-2.6A)
TPO  A 297 ( 4.3A)
 1.29A 4apjA-2w8dA:
undetectable
4apjP-2w8dA:
undetectable		 4apjA-2w8dA:
22.59
4apjP-2w8dA:
2.77
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 HIS A 542
HIS A 423
GLU A 424
ASP A 617
 None
 1.34A 4apjA-2wanA:
undetectable
4apjP-2wanA:
undetectable		 4apjA-2wanA:
21.53
4apjP-2wanA:
2.98
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 HIS A 126
HIS A 376
GLU A 423
ASP A  59
 None
 1.38A 4apjA-2xfgA:
undetectable
4apjP-2xfgA:
undetectable		 4apjA-2xfgA:
20.36
4apjP-2xfgA:
2.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 HIS A 387
GLU A 411
ASP A 415
SER A 526
 ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 ( 3.9A)
None
 0.27A 4apjA-2xy9A:
57.3
4apjP-2xy9A:
undetectable		 4apjA-2xy9A:
99.83
4apjP-2xy9A:
1.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 HIS A 365
GLU A 389
ASP A 393
SER A 504
 ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.4A)
None
 0.38A 4apjA-2xydA:
51.3
4apjP-2xydA:
undetectable		 4apjA-2xydA:
53.76
4apjP-2xydA:
3.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 HIS A 200
GLU A 228
ASP A  99
SER A  33
 None
CTR  A   1 ( 2.7A)
None
None
 1.08A 4apjA-3a3hA:
undetectable
4apjP-3a3hA:
undetectable		 4apjA-3a3hA:
19.90
4apjP-3a3hA:
4.28
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.
3b54 NUCLEOSIDE
DIPHOSPHATE KINASE

(Saccharomyces
cerevisiae) 		PF00334
(NDK) 		4 HIS A 119
GLU A 130
ASP A 122
SER A 126
 PO4  A 154 (-3.6A)
None
None
None
 1.18A 4apjA-3b54A:
undetectable
4apjP-3b54A:
undetectable		 4apjA-3b54A:
14.72
4apjP-3b54A:
4.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		4 HIS A 110
GLU A 357
ASP A 114
SER A 201
 EDO  A 494 (-4.0A)
MG  A 484 ( 2.0A)
None
None
 1.07A 4apjA-3b9tA:
undetectable
4apjP-3b9tA:
undetectable		 4apjA-3b9tA:
20.32
4apjP-3b9tA:
3.32
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.
3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN

(Mus musculus) 		PF13806
(Rieske_2) 		4 HIS A 120
ASP A 143
SER A 142
PRO A 137
 None
 1.36A 4apjA-3d89A:
undetectable
4apjP-3d89A:
undetectable		 4apjA-3d89A:
12.79
4apjP-3d89A:
43.75
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 144
GLU A 164
ASP A 168
SER A 226
 ZN  A 302 ( 3.2A)
ZN  A 302 ( 2.2A)
None
None
 0.72A 4apjA-3dbkA:
6.3
4apjP-3dbkA:
undetectable		 4apjA-3dbkA:
20.65
4apjP-3dbkA:
3.77
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 HIS A  79
HIS A 409
GLU A 393
SER A 386
 None
 1.33A 4apjA-3dduA:
undetectable
4apjP-3dduA:
undetectable		 4apjA-3dduA:
22.52
4apjP-3dduA:
1.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		4 HIS A 110
GLU A 107
ASP A 111
SER A 155
 None
 1.36A 4apjA-3dp7A:
2.1
4apjP-3dp7A:
undetectable		 4apjA-3dp7A:
21.37
4apjP-3dp7A:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gp9 NUCLEOSIDE
DIPHOSPHATE KINASE

(Acanthamoeba
polyphaga
mimivirus) 		PF00334
(NDK) 		4 HIS A 112
GLU A 123
ASP A 115
SER A 119
 GDP  A 138 ( 3.5A)
None
None
None
 1.28A 4apjA-3gp9A:
undetectable
4apjP-3gp9A:
undetectable		 4apjA-3gp9A:
11.19
4apjP-3gp9A:
7.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		4 HIS A 139
GLU A 254
ASP A 280
SER A 256
 FE  A 401 (-3.2A)
None
FE  A 401 (-2.1A)
None
 1.09A 4apjA-3hh8A:
undetectable
4apjP-3hh8A:
undetectable		 4apjA-3hh8A:
20.07
4apjP-3hh8A:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4)
PF11497
(NADH_Oxid_Nqo15) 		4 HIS 3 168
HIS 3 167
GLU 7  32
SER 7  60
 CA  3 790 (-4.3A)
MN  3 789 (-3.4A)
CA  3 790 ( 3.4A)
CA  3 790 ( 3.9A)
 1.09A 4apjA-3i9v3:
undetectable
4apjP-3i9v3:
undetectable		 4apjA-3i9v3:
20.85
4apjP-3i9v3:
4.53
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		4 HIS A 133
GLU A  66
SER A  64
PRO A 104
 None
 1.40A 4apjA-3ij6A:
undetectable
4apjP-3ij6A:
undetectable		 4apjA-3ij6A:
18.98
4apjP-3ij6A:
5.00
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 HIS A 233
HIS A 234
GLU A 228
SER A 230
 None
 1.03A 4apjA-3lggA:
undetectable
4apjP-3lggA:
undetectable		 4apjA-3lggA:
21.90
4apjP-3lggA:
2.61
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.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 HIS A  12
GLU A 183
ASP A 467
PRO A 182
 None
 1.07A 4apjA-3n92A:
undetectable
4apjP-3n92A:
undetectable		 4apjA-3n92A:
21.74
4apjP-3n92A:
2.10
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.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 HIS A  12
GLU A 183
ASP A 467
SER A 466
 None
 1.29A 4apjA-3n92A:
undetectable
4apjP-3n92A:
undetectable		 4apjA-3n92A:
21.74
4apjP-3n92A:
2.10
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 349
GLU A 369
ASP A 373
SER A 431
 ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
None
 0.91A 4apjA-3nqxA:
6.5
4apjP-3nqxA:
undetectable		 4apjA-3nqxA:
20.03
4apjP-3nqxA:
3.87
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		4 GLU B 188
ASP B 178
SER B 189
PRO B 233
 None
 1.29A 4apjA-3pz2B:
undetectable
4apjP-3pz2B:
undetectable		 4apjA-3pz2B:
19.43
4apjP-3pz2B:
3.36
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		4 HIS A 229
GLU A 257
ASP A 129
SER A  63
 None
 1.07A 4apjA-3pzuA:
undetectable
4apjP-3pzuA:
undetectable		 4apjA-3pzuA:
19.66
4apjP-3pzuA:
4.52
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.
3q8y NUCLEOSIDE
DIPHOSPHATE KINASE

(Staphylococcus
aureus) 		PF00334
(NDK) 		4 HIS A 115
GLU A 126
ASP A 118
SER A 122
 VO4  A 159 (-2.7A)
None
ADP  A 158 (-4.1A)
None
 1.19A 4apjA-3q8yA:
undetectable
4apjP-3q8yA:
undetectable		 4apjA-3q8yA:
15.17
4apjP-3q8yA:
9.28
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		4 HIS A 189
HIS A 284
ASP A 287
SER A 288
 None
 1.34A 4apjA-3qh4A:
undetectable
4apjP-3qh4A:
undetectable		 4apjA-3qh4A:
21.16
4apjP-3qh4A:
3.25
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.
3vgs NUCLEOSIDE
DIPHOSPHATE KINASE

(Halomonas sp.
#593) 		PF00334
(NDK) 		4 HIS A 117
GLU A 128
ASP A 120
SER A 124
 None
 1.10A 4apjA-3vgsA:
undetectable
4apjP-3vgsA:
undetectable		 4apjA-3vgsA:
14.26
4apjP-3vgsA:
36.36
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.
3vvt NUCLEOSIDE
DIPHOSPHATE KINASE

(-) 		PF00334
(NDK) 		4 HIS A 115
GLU A 126
ASP A 118
SER A 122
 None
 1.24A 4apjA-3vvtA:
undetectable
4apjP-3vvtA:
undetectable		 4apjA-3vvtA:
14.43
4apjP-3vvtA:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zto NUCLEOSIDE
DIPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00334
(NDK) 		4 HIS A 120
GLU A 131
ASP A 123
SER A 127
 SO4  A 200 (-3.9A)
None
None
None
 1.19A 4apjA-3ztoA:
undetectable
4apjP-3ztoA:
undetectable		 4apjA-3ztoA:
13.67
4apjP-3ztoA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 139
GLU A 159
ASP A 163
SER A 222
 ZN  A 401 ( 3.3A)
ZN  A 401 ( 1.9A)
None
None
 0.87A 4apjA-4b52A:
6.4
4apjP-4b52A:
undetectable		 4apjA-4b52A:
19.86
4apjP-4b52A:
3.47
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		4 HIS B 156
GLU B 178
ASP B 179
PRO B 205
 None
 1.37A 4apjA-4g56B:
undetectable
4apjP-4g56B:
undetectable		 4apjA-4g56B:
20.51
4apjP-4g56B:
6.33
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.
4iwm UPF0135 PROTEIN
MJ0927

(Methanocaldococcus
jannaschii) 		PF01784
(NIF3) 		4 HIS A  71
GLU A 225
ASP A 107
SER A 177
 None
 1.16A 4apjA-4iwmA:
undetectable
4apjP-4iwmA:
undetectable		 4apjA-4iwmA:
17.83
4apjP-4iwmA:
6.00
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 HIS A 238
ASP A 237
SER A  32
PRO A 188
 ZN  A 505 (-3.1A)
ZN  A 505 (-2.3A)
None
None
 1.31A 4apjA-4lr2A:
undetectable
4apjP-4lr2A:
undetectable		 4apjA-4lr2A:
20.40
4apjP-4lr2A:
4.30
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		4 HIS A 192
GLU A 220
ASP A  95
SER A  25
 None
TRS  A 301 (-2.7A)
None
None
 1.06A 4apjA-4m1rA:
undetectable
4apjP-4m1rA:
undetectable		 4apjA-4m1rA:
17.92
4apjP-4m1rA:
5.45
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.
4o6i NUCLEOPROTEIN

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF17290
(Arena_ncap_C) 		4 HIS A 517
HIS A 502
GLU A 392
ASP A 522
 None
ZN  A 601 (-3.2A)
ZN  A 601 (-2.4A)
MG  A 602 (-3.1A)
 1.25A 4apjA-4o6iA:
undetectable
4apjP-4o6iA:
undetectable		 4apjA-4o6iA:
16.33
4apjP-4o6iA:
4.94
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.
4oxr MANGANESE ABC
TRANSPORTER,
PERIPLASMIC-BINDING
PROTEIN SITA

(Staphylococcus
pseudintermedius) 		PF01297
(ZnuA) 		4 HIS A 137
GLU A 252
ASP A 278
SER A 254
 MN  A 401 (-3.4A)
None
MN  A 401 (-2.0A)
None
 1.04A 4apjA-4oxrA:
undetectable
4apjP-4oxrA:
undetectable		 4apjA-4oxrA:
19.73
4apjP-4oxrA:
4.59
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.
4uoh NUCLEOSIDE
DIPHOSPHATE KINASE

(Litopenaeus
vannamei) 		PF00334
(NDK) 		4 HIS A 117
GLU A 128
ASP A 120
SER A 124
 None
 1.19A 4apjA-4uohA:
undetectable
4apjP-4uohA:
undetectable		 4apjA-4uohA:
14.16
4apjP-4uohA:
6.08
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.
4v3q YIII_M4_AII

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		4 HIS A   8
HIS A   7
GLU A  12
SER A  11
 None
 1.32A 4apjA-4v3qA:
undetectable
4apjP-4v3qA:
undetectable		 4apjA-4v3qA:
19.12
4apjP-4v3qA:
3.51
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.
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020

(Homo sapiens) 		PF08144
(CPL) 		4 HIS A 538
HIS A 547
SER A 592
PRO A 539
 None
 1.30A 4apjA-4wzwA:
undetectable
4apjP-4wzwA:
undetectable		 4apjA-4wzwA:
22.50
4apjP-4wzwA:
2.60
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.
4xzb CELA

(Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 HIS A 203
GLU A 231
ASP A 102
SER A  33
 None
 1.09A 4apjA-4xzbA:
undetectable
4apjP-4xzbA:
undetectable		 4apjA-4xzbA:
20.30
4apjP-4xzbA:
4.06
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(uncultured
bacterium;
Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 HIS A 202
GLU A 230
ASP A 102
SER A  33
 None
EPE  A 404 (-4.3A)
None
None
 1.06A 4apjA-4xzwA:
undetectable
4apjP-4xzwA:
undetectable		 4apjA-4xzwA:
20.20
4apjP-4xzwA:
4.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		4 HIS A 371
GLU A 395
ASP A 399
SER A 510
 ZN  A1616 (-3.3A)
ZN  A1616 (-2.4A)
None
None
 0.30A 4apjA-5a2rA:
49.7
4apjP-5a2rA:
undetectable		 4apjA-5a2rA:
44.76
4apjP-5a2rA:
2.38
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 4 GLU A 311
ASP A 238
SER A 309
PRO A 374
 None
 1.39A 4apjA-5ah1A:
undetectable
4apjP-5ah1A:
undetectable		 4apjA-5ah1A:
21.24
4apjP-5ah1A:
4.52
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.
5b3v BILIVERDIN REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 HIS B 172
HIS B 171
GLU B 212
PRO B 211
 None
 1.39A 4apjA-5b3vB:
undetectable
4apjP-5b3vB:
undetectable		 4apjA-5b3vB:
19.19
4apjP-5b3vB:
1.84
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 HIS A 123
HIS A 149
ASP A 315
SER A 319
 CA  A1102 (-3.9A)
CA  A1101 (-3.8A)
CA  A1102 (-2.6A)
CA  A1102 ( 4.2A)
 1.39A 4apjA-5b7iA:
undetectable
4apjP-5b7iA:
undetectable		 4apjA-5b7iA:
18.92
4apjP-5b7iA:
3.35
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.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE

(Rhodopseudomonas
palustris) 		PF06130
(PTAC) 		4 HIS A 204
HIS A  48
GLU A 109
SER A 127
 ZN  A 502 ( 3.1A)
COA  A 501 ( 3.0A)
ZN  A 503 (-2.3A)
None
 1.41A 4apjA-5cuoA:
undetectable
4apjP-5cuoA:
undetectable		 4apjA-5cuoA:
16.13
4apjP-5cuoA:
8.79
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		4 HIS A 257
ASP A 282
SER A 276
PRO A 227
 CO  A 501 (-3.3A)
None
None
None
 0.98A 4apjA-5e3xA:
23.7
4apjP-5e3xA:
undetectable		 4apjA-5e3xA:
24.48
4apjP-5e3xA:
6.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 HIS A 255
GLU A 285
ASP A 147
SER A  81
 None
CA  A 643 ( 2.9A)
None
None
 1.06A 4apjA-5ecuA:
undetectable
4apjP-5ecuA:
undetectable		 4apjA-5ecuA:
20.57
4apjP-5ecuA:
2.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 HIS A 259
GLU A 294
ASP A 151
SER A  85
 None
 1.07A 4apjA-5fipA:
undetectable
4apjP-5fipA:
undetectable		 4apjA-5fipA:
20.00
4apjP-5fipA:
3.89
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 146
GLU A 166
ASP A 170
SER A 234
 ZN  A1317 (-3.3A)
ZN  A1317 (-2.2A)
None
None
 0.96A 4apjA-5fxnA:
5.6
4apjP-5fxnA:
undetectable		 4apjA-5fxnA:
19.90
4apjP-5fxnA:
4.23
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		4 HIS A 202
GLU A 230
ASP A 108
SER A  40
 None
GOL  A 402 (-2.6A)
None
None
 1.04A 4apjA-5i2uA:
undetectable
4apjP-5i2uA:
undetectable		 4apjA-5i2uA:
18.99
4apjP-5i2uA:
3.02
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.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		4 HIS A 140
GLU A 255
ASP A 281
SER A 257
 MN  A 501 (-3.3A)
None
MN  A 501 (-2.0A)
None
 1.10A 4apjA-5i4kA:
undetectable
4apjP-5i4kA:
undetectable		 4apjA-5i4kA:
18.49
4apjP-5i4kA:
7.50
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		4 HIS A 219
GLU A 247
ASP A 122
SER A  55
 None
 1.01A 4apjA-5ihsA:
undetectable
4apjP-5ihsA:
undetectable		 4apjA-5ihsA:
20.59
4apjP-5ihsA:
4.64
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.
5k59 UNCHARACTERIZED
LEUKOCIDIN-LIKE
PROTEIN 1

(Staphylococcus
aureus) 		no annotation 4 HIS B 276
GLU B 274
ASP B 261
SER B 272
 None
 1.06A 4apjA-5k59B:
undetectable
4apjP-5k59B:
undetectable		 4apjA-5k59B:
18.52
4apjP-5k59B:
3.56
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.
5kk8 NUCLEOSIDE
DIPHOSPHATE KINASE

(Schistosoma
mansoni) 		PF00334
(NDK) 		4 HIS A 115
GLU A 126
ASP A 118
SER A 122
 None
 1.22A 4apjA-5kk8A:
undetectable
4apjP-5kk8A:
undetectable		 4apjA-5kk8A:
13.32
4apjP-5kk8A:
5.41
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.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 HIS A  93
GLU A 330
SER A  95
PRO A 108
 None
 1.33A 4apjA-5l1bA:
2.8
4apjP-5l1bA:
undetectable		 4apjA-5l1bA:
21.31
4apjP-5l1bA:
2.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ls4 NUCLEOPROTEIN

(Mopeia
mammarenavirus) 		PF17290
(Arena_ncap_C) 		4 HIS A 529
HIS A 510
GLU A 400
ASP A 534
 None
ZN  A 602 (-3.2A)
ZN  A 602 (-2.4A)
CA  A 601 (-3.3A)
 1.28A 4apjA-5ls4A:
undetectable
4apjP-5ls4A:
undetectable		 4apjA-5ls4A:
15.40
4apjP-5ls4A:
5.14
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.
5nb9 RNA CHAPERONE PROQ

(Escherichia
coli) 		PF04352
(ProQ) 		4 HIS A 109
HIS A 112
GLU A 111
ASP A 106
 None
 1.41A 4apjA-5nb9A:
undetectable
4apjP-5nb9A:
undetectable		 4apjA-5nb9A:
12.03
4apjP-5nb9A:
8.91
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 4 HIS A  42
HIS A  44
ASP A  41
SER A  70
 None
 1.33A 4apjA-5vncA:
3.1
4apjP-5vncA:
undetectable		 4apjA-5vncA:
undetectable
4apjP-5vncA:
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 4 HIS A 161
GLU A  72
ASP A  41
SER A  70
 None
 0.98A 4apjA-5vncA:
3.1
4apjP-5vncA:
undetectable		 4apjA-5vncA:
undetectable
4apjP-5vncA:
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 4 HIS A 256
GLU A 284
ASP A 154
SER A  82
 None
EDO  A 411 (-3.3A)
None
None
 1.06A 4apjA-5wh8A:
undetectable
4apjP-5wh8A:
undetectable		 4apjA-5wh8A:
undetectable
4apjP-5wh8A:
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 HIS A  12
GLU A 185
ASP A 468
SER A 467
 None
 1.31A 4apjA-5wu7A:
2.6
4apjP-5wu7A:
undetectable		 4apjA-5wu7A:
22.91
4apjP-5wu7A:
2.47
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 HIS A  12
GLU A 185
SER A 467
PRO A 184
 None
 1.19A 4apjA-5wu7A:
2.6
4apjP-5wu7A:
undetectable		 4apjA-5wu7A:
22.91
4apjP-5wu7A:
2.47
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		4 HIS A 346
GLU A 273
ASP A 279
SER A 277
 None
 1.35A 4apjA-5y1iA:
2.1
4apjP-5y1iA:
undetectable		 4apjA-5y1iA:
19.83
4apjP-5y1iA:
2.63
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.
6csl HISTIDINE TRIAD
PROTEIN D

(Streptococcus
pneumoniae) 		no annotation 4 HIS A 314
GLU A 291
ASP A 293
SER A 292
 ZN  A 401 (-3.0A)
None
ZN  A 401 (-2.4A)
None
 1.40A 4apjA-6cslA:
undetectable
4apjP-6cslA:
undetectable		 4apjA-6cslA:
undetectable
4apjP-6cslA:
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.
6d72 SPERMIDINE
N1-ACETYLTRANSFERASE

(Yersinia pestis) 		no annotation 4 HIS A  51
GLU A  57
ASP A  54
SER A  56
 None
PEG  A 203 (-2.7A)
None
None
 1.18A 4apjA-6d72A:
undetectable
4apjP-6d72A:
undetectable		 4apjA-6d72A:
undetectable
4apjP-6d72A:
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.
6f6e RIBONUCLEOTIDE
REDUCTASE SMALL
SUBUNIT

(Geobacillus
kaustophilus) 		no annotation 4 HIS A 105
HIS A 100
ASP A 201
PRO A  35
 MN  A 403 (-3.2A)
None
None
None
 1.41A 4apjA-6f6eA:
2.1
4apjP-6f6eA:
undetectable		 4apjA-6f6eA:
undetectable
4apjP-6f6eA:
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.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 4 HIS C 304
GLU C 305
ASP C 275
SER C 272
 None
 1.41A 4apjA-6fkxC:
undetectable
4apjP-6fkxC:
undetectable		 4apjA-6fkxC:
undetectable
4apjP-6fkxC:
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 4 GLU A  57
ASP A  58
SER A  56
PRO A  28
 None
 1.36A 4apjA-6fthA:
undetectable
4apjP-6fthA:
undetectable		 4apjA-6fthA:
undetectable
4apjP-6fthA:
undetectable