SIMILAR PATTERNS OF AMINO ACIDS FOR 5NNW_D_GCSD302

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.
1eqc EXO-(B)-(1,3)-GLUCAN
ASE

(Candida
albicans) 		PF00150
(Cellulase) 		4 GLY A 359
ASP A 251
HIS A 254
ASN A 288
 None
 1.06A 5nnwD-1eqcA:
0.0		 5nnwD-1eqcA:
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		4 GLY A 381
ASP A 406
HIS A 192
ASP A 380
 None
 1.03A 5nnwD-1gjuA:
undetectable		 5nnwD-1gjuA:
9.77
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ASP A  37
GLY A 312
ASP A 356
HIS A 319
ASP A 315
 ZN  A 478 ( 2.1A)
ZN  A 479 ( 4.5A)
ZN  A 478 (-2.3A)
ZN  A 477 (-3.2A)
ZN  A 477 (-2.1A)
 1.46A 5nnwD-1k7hA:
0.0		 5nnwD-1k7hA:
10.02
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.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 330
HIS A 331
ASP A 262
HIS A 231
 None
ZN  A 480 ( 3.4A)
ZN  A 479 (-2.2A)
MED  A 601 (-4.2A)
 0.81A 5nnwD-1kq0A:
0.0		 5nnwD-1kq0A:
10.06
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.
1o0x METHIONINE
AMINOPEPTIDASE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24) 		4 GLY A 173
HIS A 174
ASP A 111
HIS A  82
 None
 0.80A 5nnwD-1o0xA:
0.5		 5nnwD-1o0xA:
14.89
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 GLY A 283
HIS A 284
ASP A 220
HIS A 192
 None
ZN  A 401 (-3.3A)
ZN  A 402 ( 2.4A)
None
 0.71A 5nnwD-1pv9A:
0.0		 5nnwD-1pv9A:
12.80
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.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		4 GLY A 167
HIS A 168
ASP A 104
HIS A  76
 None
CO  A1001 (-3.3A)
CO  A1002 (-2.4A)
M2C  A3001 ( 4.5A)
 0.86A 5nnwD-1qxyA:
0.0		 5nnwD-1qxyA:
15.52
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		4 GLY A 237
ASP A 232
HIS A 202
ASN A 411
 None
 1.01A 5nnwD-1sqgA:
0.0		 5nnwD-1sqgA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASP A 250
GLY A 247
ASP A 184
ASN A 252
 None
 0.97A 5nnwD-1uwyA:
0.0		 5nnwD-1uwyA:
11.17
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 229
GLY A 230
HIS A 399
ASN A 404
 None
None
CU  A1502 (-2.9A)
None
 1.00A 5nnwD-1v10A:
undetectable		 5nnwD-1v10A:
10.95
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 246
HIS A 453
ASP A 455
HIS A  64
 None
CU  A1500 (-3.4A)
None
CU  A1502 (-3.2A)
 1.04A 5nnwD-1v10A:
undetectable		 5nnwD-1v10A:
10.95
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		4 GLY A 152
HIS A 153
ASP A  93
HIS A  62
 None
MN  A 296 ( 3.3A)
MN  A 297 (-2.3A)
MET  A1298 (-3.8A)
 0.83A 5nnwD-1wkmA:
undetectable		 5nnwD-1wkmA:
13.53
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.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 GLY A 286
HIS A 287
ASP A 223
HIS A 195
 None
ZN  A 406 (-3.3A)
ZN  A 405 (-2.3A)
CAC  A 403 ( 4.4A)
 0.70A 5nnwD-1wy2A:
undetectable		 5nnwD-1wy2A:
11.80
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 ASP A  42
GLY A 313
ASP A 357
HIS A 320
ASP A 316
 ZN  A 902 ( 2.1A)
MG  A 903 ( 4.5A)
ZN  A 902 (-2.3A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 1.9A)
 1.47A 5nnwD-1zefA:
undetectable		 5nnwD-1zefA:
11.75
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.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 330
HIS A 331
ASP A 262
HIS A 231
 None
CO  A 502 ( 3.2A)
CO  A 501 (-2.2A)
R20  A 906 (-4.4A)
 0.77A 5nnwD-2aduA:
undetectable		 5nnwD-2aduA:
12.20
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A  16
GLY A  13
ASP A  20
ASN A  18
 None
 1.04A 5nnwD-2b24A:
undetectable		 5nnwD-2b24A:
9.82
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 4 ASP A 243
GLY A 114
ASP A 106
ASN A 112
 None
 0.96A 5nnwD-2cl2A:
undetectable		 5nnwD-2cl2A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f96 RIBONUCLEASE T

(Pseudomonas
aeruginosa) 		PF00929
(RNase_T) 		4 ASP A 137
GLY A 131
ASP A  35
ASN A 133
 MG  A2001 ( 4.1A)
None
MG  A2001 (-2.5A)
None
 0.79A 5nnwD-2f96A:
undetectable		 5nnwD-2f96A:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 GLY A 335
HIS A 336
HIS A  95
ASP A  94
 HEM  A 605 (-3.4A)
HEM  A 605 (-3.3A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-2.0A)
 1.07A 5nnwD-2gjmA:
undetectable		 5nnwD-2gjmA:
11.11
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.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		4 GLY A 170
HIS A 171
ASP A 108
HIS A  79
 None
MN  A   1 ( 3.8A)
MN  A   1 ( 2.8A)
NLP  A3808 (-3.8A)
 0.63A 5nnwD-2gtxA:
undetectable		 5nnwD-2gtxA:
16.23
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 ASP A  63
HIS A  23
ASP A  21
HIS A 140
 MN  A 555 (-2.6A)
FE  A 444 ( 3.4A)
FE  A 444 (-3.1A)
None
 1.01A 5nnwD-2hypA:
undetectable		 5nnwD-2hypA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 402
GLY A 445
HIS A 461
HIS A  65
ASP A  11
 MN  A 601 (-2.4A)
None
MN  A 601 (-3.4A)
None
MN  A 701 (-2.4A)
 1.46A 5nnwD-2ifyA:
undetectable		 5nnwD-2ifyA:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 GLY A 480
ASP A 491
HIS A 160
ASP A 482
 None
 0.88A 5nnwD-2inpA:
undetectable		 5nnwD-2inpA:
9.98
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.
2n51 ELONGATION FACTOR
1-DELTA

(Homo sapiens) 		PF00736
(EF1_GNE)
PF10587
(EF-1_beta_acid) 		4 ASP A 155
GLY A 149
ASP A 154
ASP A 156
 None
 1.06A 5nnwD-2n51A:
undetectable		 5nnwD-2n51A:
18.94
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASP A 274
GLY A 271
ASP A 207
ASN A 276
 None
 1.03A 5nnwD-2nsmA:
undetectable		 5nnwD-2nsmA:
10.11
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		4 GLY A 297
HIS A 273
ASP A 340
ASN A 333
 None
 0.82A 5nnwD-2vqaA:
undetectable		 5nnwD-2vqaA:
11.34
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 ASP A  56
GLY A 301
ASP A 346
HIS A 308
ASP A 304
 ZN  A1476 (-2.2A)
MG  A1477 ( 4.5A)
ZN  A1476 (-2.3A)
ZN  A1475 ( 3.2A)
ZN  A1475 ( 2.0A)
 1.45A 5nnwD-2x98A:
undetectable		 5nnwD-2x98A:
12.53
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 ASP A 662
GLY A  69
ASP A 355
ASP A 660
 CA  A1772 (-3.0A)
None
B3P  A1773 (-2.8A)
None
 0.97A 5nnwD-2xsgA:
undetectable		 5nnwD-2xsgA:
7.42
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.
2yrt CHORD CONTAINING
PROTEIN-1

(Homo sapiens) 		PF04968
(CHORD) 		4 ASP A  28
GLY A  69
ASP A  29
ASN A  26
 None
 0.89A 5nnwD-2yrtA:
undetectable		 5nnwD-2yrtA:
18.29
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 GLY A 195
ASP A 250
HIS A  89
ASP A 194
 None
 1.08A 5nnwD-2ze0A:
undetectable		 5nnwD-2ze0A:
8.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		4 GLY B 398
ASP B 115
HIS B 269
ASN B 108
 None
 0.91A 5nnwD-3adaB:
undetectable		 5nnwD-3adaB:
11.66
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		4 ASP A 173
GLY A 174
HIS A 176
ASP A 195
 None
None
None
ADA  A 903 (-3.0A)
 1.00A 5nnwD-3b8yA:
undetectable		 5nnwD-3b8yA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c60 TCR YAE62 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B  93
GLY B  92
HIS B  27
ASN B  25
 None
 1.05A 5nnwD-3c60B:
undetectable		 5nnwD-3c60B:
16.10
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 GLY A 144
ASP A 150
HIS A 262
ASP A  24
 PO4  A 305 ( 3.9A)
None
ZN  A 301 ( 3.5A)
ZN  A 301 ( 2.2A)
 0.98A 5nnwD-3e0fA:
undetectable		 5nnwD-3e0fA:
14.11
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 ASP A  12
GLY A 270
ASP A 315
HIS A 277
ASP A 273
 ZN  A 602 (-2.2A)
MG  A 603 ( 4.5A)
ZN  A 602 (-2.4A)
ZN  A 601 (-3.2A)
ZN  A 601 ( 2.1A)
 1.43A 5nnwD-3e2dA:
undetectable		 5nnwD-3e2dA:
10.34
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 GLY A 644
ASP A 970
HIS A 892
ASP A 608
 None
 0.93A 5nnwD-3ecqA:
undetectable		 5nnwD-3ecqA:
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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		4 GLY A 209
HIS A 210
ASP A 141
HIS A 109
 None
FE  A 451 (-3.4A)
FE  A 452 ( 2.2A)
FUG  A 481 (-2.7A)
 0.74A 5nnwD-3fmqA:
undetectable		 5nnwD-3fmqA:
13.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gnu 25 KDA PROTEIN
ELICITOR

(Pythium
aphanidermatum) 		PF05630
(NPP1) 		5 ASP P  93
GLY P 100
ASP P 104
HIS P 128
ASP P 158
 None
None
None
GAI  P 214 (-4.1A)
GAI  P 214 (-2.7A)
 1.37A 5nnwD-3gnuP:
38.6		 5nnwD-3gnuP:
100.00
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.
3hsk ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Candida
albicans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ASP A 317
GLY A 319
HIS A 342
ASP A 313
 None
 1.04A 5nnwD-3hskA:
undetectable		 5nnwD-3hskA:
11.85
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.
3mr1 METHIONINE
AMINOPEPTIDASE

(Rickettsia
prowazekii) 		PF00557
(Peptidase_M24) 		4 GLY A 167
HIS A 168
ASP A 105
HIS A  77
 None
MN  A 249 ( 3.4A)
MN  A 250 (-2.5A)
PO4  A 252 (-4.2A)
 0.69A 5nnwD-3mr1A:
undetectable		 5nnwD-3mr1A:
16.23
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.
3mtq PUTATIVE
PHOSPHOENOLPYRUVATE-
DEPENDENT SUGAR
PHOSPHOTRANSFERASE
SYSTEM (PTS)
PERMEASE

(Klebsiella
pneumoniae) 		PF03610
(EIIA-man) 		4 GLY A  90
HIS A  10
ASP A  66
ASN A  73
 None
 1.07A 5nnwD-3mtqA:
undetectable		 5nnwD-3mtqA:
20.41
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.
3ovg AMIDOHYDROLASE

(Mycoplasma
synoviae) 		PF02126
(PTE) 		4 ASP A 272
GLY A 274
ASP A 238
HIS A 186
 ZN  A 362 (-2.7A)
None
None
ZN  A 363 (-3.5A)
 1.07A 5nnwD-3ovgA:
undetectable		 5nnwD-3ovgA:
16.91
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.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		4 ASP A  53
GLY A  54
HIS A  55
HIS A 105
 ZN  A 184 (-2.6A)
None
ZN  A 184 (-3.3A)
None
 1.07A 5nnwD-3s2sA:
undetectable		 5nnwD-3s2sA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6b METHIONINE
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24) 		4 GLY A 269
HIS A 270
ASP A 204
HIS A 176
 None
FE  A 370 (-3.7A)
FE  A 370 (-3.0A)
None
 0.69A 5nnwD-3s6bA:
undetectable		 5nnwD-3s6bA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sng NUCLEASE

(Solanum
lycopersicum) 		PF02265
(S1-P1_nuclease) 		4 GLY A  30
HIS A  31
ASP A  70
ASP A 185
 None
ZN  A 401 (-3.2A)
ZN  A 402 (-2.9A)
ZN  A 403 (-2.1A)
 0.97A 5nnwD-3sngA:
undetectable		 5nnwD-3sngA:
16.46
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		4 GLY A 183
HIS A 184
ASP A 115
HIS A  86
 None
MG  A 266 (-3.4A)
MG  A 269 ( 2.1A)
LMR  A 271 (-3.9A)
 0.78A 5nnwD-3tavA:
undetectable		 5nnwD-3tavA:
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.
3tb5 METHIONINE
AMINOPEPTIDASE

(Enterococcus
faecalis) 		PF00557
(Peptidase_M24) 		4 GLY A 167
HIS A 168
ASP A 105
HIS A  77
 None
CIT  A 265 (-3.8A)
CIT  A 265 (-4.2A)
CIT  A 265 (-3.4A)
 1.00A 5nnwD-3tb5A:
undetectable		 5nnwD-3tb5A:
16.34
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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		4 ASP A 233
GLY A 232
HIS A 196
ASP A  20
 None
None
PO4  A 442 ( 4.9A)
None
 1.05A 5nnwD-3tr1A:
undetectable		 5nnwD-3tr1A:
12.63
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.
3u07 UNCHARACTERIZED
PROTEIN VPA0106

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		4 GLY A 226
ASP A 232
ASP A 158
ASN A 230
 None
 0.98A 5nnwD-3u07A:
undetectable		 5nnwD-3u07A:
11.70
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.
3ved DYPB

(Rhodococcus
jostii) 		PF04261
(Dyp_perox) 		4 GLY A 154
ASP A 147
HIS A 226
ASN A 246
 HEM  A 401 (-3.1A)
HEM  A 401 (-4.3A)
HEM  A 401 (-3.2A)
CL  A 404 (-3.2A)
 0.93A 5nnwD-3vedA:
undetectable		 5nnwD-3vedA:
13.51
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.
3vyl L-RIBULOSE
3-EPIMERASE

(Mesorhizobium
loti) 		PF01261
(AP_endonuc_2) 		4 GLY A 105
HIS A 178
ASP A 180
HIS A   7
 None
None
MN  A1001 (-3.1A)
None
 0.88A 5nnwD-3vylA:
undetectable		 5nnwD-3vylA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 ASP A  12
GLY A 266
ASP A 311
HIS A 273
ASP A 269
 ZN  A 505 ( 2.1A)
MG  A 501 ( 4.4A)
ZN  A 505 (-2.5A)
ZN  A 504 (-3.4A)
ZN  A 504 ( 2.1A)
 1.47A 5nnwD-3wbhA:
undetectable		 5nnwD-3wbhA:
11.28
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 262
HIS A 476
ASP A 478
HIS A  85
 None
CU  A 615 (-3.2A)
None
CU  A 614 (-3.1A)
 1.05A 5nnwD-3x1bA:
undetectable		 5nnwD-3x1bA:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 249
ASP A 183
HIS A 127
ASP A  94
 None
None
PO4  A1597 ( 4.0A)
ZN  A1595 (-2.4A)
 0.87A 5nnwD-3zu0A:
undetectable		 5nnwD-3zu0A:
9.11
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ASP A 500
GLY A 563
ASP A 501
ASN A 561
 PGE  A1684 ( 3.8A)
None
None
None
 0.96A 5nnwD-3zukA:
undetectable		 5nnwD-3zukA:
8.09
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.
4avc LYSINE
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		4 ASP A 217
GLY A 172
HIS A 173
ASP A 214
 None
 0.83A 5nnwD-4avcA:
undetectable		 5nnwD-4avcA:
13.98
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.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ASP A 129
GLY A 128
ASP A 131
ASP A 179
 CA  A 402 (-2.0A)
None
CA  A 402 (-2.9A)
CA  A 402 (-3.7A)
 1.06A 5nnwD-4b52A:
undetectable		 5nnwD-4b52A:
12.91
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		4 ASP A 581
GLY A 579
HIS A 540
ASN A 575
 None
 0.91A 5nnwD-4b8bA:
undetectable		 5nnwD-4b8bA:
9.17
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.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		4 GLY A 169
HIS A 170
ASP A 107
HIS A  79
 None
MN  A 301 (-3.5A)
MN  A 302 ( 2.7A)
None
 0.70A 5nnwD-4fo7A:
undetectable		 5nnwD-4fo7A:
15.86
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.
4fuk METHIONINE
AMINOPEPTIDASE

(Trypanosoma
brucei) 		PF00557
(Peptidase_M24) 		4 GLY A 284
HIS A 285
ASP A 222
HIS A 194
 None
ZN  A 401 (-3.2A)
ZN  A 402 ( 2.3A)
None
 0.67A 5nnwD-4fukA:
undetectable		 5nnwD-4fukA:
12.08
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.
4gpg PROTEASE 1

(Achromobacter
lyticus) 		PF00089
(Trypsin) 		4 GLY A 228
HIS A 177
HIS A  57
ASP A 113
 None
 0.80A 5nnwD-4gpgA:
undetectable		 5nnwD-4gpgA:
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 270
HIS A 274
HIS A 108
ASP A 104
 None
 0.98A 5nnwD-4h2hA:
undetectable		 5nnwD-4h2hA:
13.75
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 302
HIS A 303
ASP A 240
HIS A 212
 None
CO  A 401 (-3.3A)
CO  A 402 ( 2.3A)
CO  A 403 ( 3.3A)
 0.67A 5nnwD-4hxxA:
undetectable		 5nnwD-4hxxA:
12.83
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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 4 ASP A  92
GLY A  47
ASP A 110
ASP A 327
 None
None
MG  A 401 ( 2.8A)
None
 0.93A 5nnwD-4iikA:
undetectable		 5nnwD-4iikA:
13.87
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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 302
HIS A 303
ASP A 240
HIS A 212
 None
CO  A 401 (-3.1A)
CO  A 402 ( 2.2A)
CO  A 403 ( 3.1A)
 0.76A 5nnwD-4iu6A:
undetectable		 5nnwD-4iu6A:
11.52
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 374
HIS A 373
HIS A  31
ASP A 376
 None
 1.03A 5nnwD-4kwsA:
undetectable		 5nnwD-4kwsA:
13.02
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.
4l7m PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF13646
(HEAT_2) 		4 GLY A 185
HIS A 186
ASP A 147
ASP A 183
 None
 0.87A 5nnwD-4l7mA:
undetectable		 5nnwD-4l7mA:
13.38
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ASP A 519
GLY A 539
HIS A 538
ASP A 511
 CA  A1113 (-2.0A)
None
None
CA  A1113 (-3.2A)
 1.05A 5nnwD-4nenA:
undetectable		 5nnwD-4nenA:
5.76
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.
4nsy LYSYL ENDOPEPTIDASE

(Lysobacter
enzymogenes) 		PF13365
(Trypsin_2) 		4 GLY A 228
HIS A 177
HIS A  57
ASP A 113
 None
None
2OY  A 301 (-2.7A)
None
 0.84A 5nnwD-4nsyA:
undetectable		 5nnwD-4nsyA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		4 GLY A 204
HIS A 205
ASP A 142
HIS A 114
 None
CO  A 302 (-3.2A)
CO  A 301 ( 2.5A)
CO  A 303 (-3.4A)
 0.69A 5nnwD-4ookA:
undetectable		 5nnwD-4ookA:
20.57
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 ASP A 310
GLY A 334
HIS A 264
ASP A 311
 MN  A 702 (-4.2A)
MN  A 702 ( 4.3A)
MN  A 701 (-3.4A)
MN  A 701 (-2.5A)
 0.98A 5nnwD-4ox2A:
undetectable		 5nnwD-4ox2A:
9.52
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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ASP A 350
GLY A 209
HIS A 352
HIS A 242
 LLP  A 353 ( 3.8A)
LLP  A 353 ( 4.2A)
LLP  A 353 ( 4.0A)
LLP  A 353 (-3.6A)
 1.04A 5nnwD-4q6rA:
undetectable		 5nnwD-4q6rA:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rg8 EXONUCLEASE I

(Methylocaldum
szegediense) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		4 ASP A 104
GLY A  97
ASP A  11
ASN A  99
 MG  A 501 ( 4.1A)
None
MG  A 501 (-2.4A)
None
 1.07A 5nnwD-4rg8A:
undetectable		 5nnwD-4rg8A:
12.31
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		4 ASP A 149
HIS A 147
ASP A 224
ASP A 153
 MN  A 402 (-2.5A)
None
MN  A 402 (-3.0A)
None
 0.92A 5nnwD-4rhmA:
undetectable		 5nnwD-4rhmA:
10.95
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.
4rx4 HIV-1 CLADE A
Q842.D12 GP120

(Human
immunodeficiency
virus 1) 		no annotation 5 ASP G 477
GLY G 472
HIS G 105
ASP G 474
ASN G 478
 EDO  G 509 (-2.1A)
None
None
EDO  G 509 (-3.4A)
None
 1.32A 5nnwD-4rx4G:
undetectable		 5nnwD-4rx4G:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 GLY P 486
HIS P 487
ASP P 424
HIS P 392
 None
ZN  P 702 ( 3.7A)
ZN  P 701 (-2.4A)
None
 0.75A 5nnwD-4s2tP:
undetectable		 5nnwD-4s2tP:
8.10
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 ASP A 416
HIS A 400
ASP A 419
ASN A 440
 None
 0.99A 5nnwD-4txgA:
undetectable		 5nnwD-4txgA:
8.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 GLY A 437
ASP A 416
HIS A 400
ASP A 419
 None
 0.86A 5nnwD-4txgA:
undetectable		 5nnwD-4txgA:
8.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u49 PECTATE LYASE

(Pectobacterium
carotovorum) 		PF03211
(Pectate_lyase) 		4 ASP A 176
GLY A 177
HIS A 179
ASP A 198
 None
 1.06A 5nnwD-4u49A:
undetectable		 5nnwD-4u49A:
12.54
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.
4unw H3 HAEMAGGLUTININ
HA1 CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASP A  73
HIS A  75
ASP A  68
ASN A  63
 None
None
None
NAG  A 421 (-1.9A)
 1.06A 5nnwD-4unwA:
undetectable		 5nnwD-4unwA:
14.18
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.
4utt PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Clostridium
perfringens) 		PF04131
(NanE) 		4 ASP A  49
GLY A  46
HIS A  22
ASN A  48
 None
 1.00A 5nnwD-4uttA:
undetectable		 5nnwD-4uttA:
13.97
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		4 ASP A  47
HIS A 299
HIS A 174
ASP A 143
 MN  A 580 (-3.2A)
MN  A 580 (-3.6A)
MN  A 581 (-3.3A)
MN  A 581 ( 2.9A)
 1.07A 5nnwD-4uwqA:
undetectable		 5nnwD-4uwqA:
8.56
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.
4yh8 SPLICING FACTOR U2AF
23 KDA SUBUNIT

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1)
PF00642
(zf-CCCH) 		4 GLY A 161
ASP A 101
HIS A  57
ASN A  98
 None
 1.00A 5nnwD-4yh8A:
undetectable		 5nnwD-4yh8A:
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 GLY A 269
HIS A 173
ASP A 251
HIS A 244
 None
None
None
ZN  A 402 (-3.5A)
 1.07A 5nnwD-4zr1A:
undetectable		 5nnwD-4zr1A:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		4 GLY A 209
ASP A 236
HIS A 126
ASP A 208
 None
 1.03A 5nnwD-5a2aA:
undetectable		 5nnwD-5a2aA:
10.07
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 GLY A 644
ASP A 970
HIS A 892
ASP A 608
 None
 0.95A 5nnwD-5a55A:
undetectable		 5nnwD-5a55A:
5.91
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 GLY A 330
HIS A 331
ASP A 262
HIS A 234
 None
ZN  A 403 ( 3.2A)
ZN  A 402 ( 2.3A)
ZN  A 404 ( 3.1A)
 0.75A 5nnwD-5cdeA:
undetectable		 5nnwD-5cdeA:
12.53
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.
5cnx AMINOPEPTIDASE YPDF

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 GLY A 291
HIS A 292
ASP A 223
HIS A 195
 None
ZN  A 401 (-3.3A)
ZN  A 402 (-2.5A)
CAC  A 403 (-4.1A)
 0.88A 5nnwD-5cnxA:
undetectable		 5nnwD-5cnxA:
15.19
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 225
GLY A 226
HIS A 398
ASN A 403
 None
None
CU  A 509 ( 3.1A)
None
 1.06A 5nnwD-5ehfA:
undetectable		 5nnwD-5ehfA:
9.66
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 242
HIS A 452
ASP A 454
HIS A  64
 None
CU  A 508 (-3.2A)
None
CU  A 509 (-3.2A)
 1.07A 5nnwD-5ehfA:
undetectable		 5nnwD-5ehfA:
9.66
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.
5fbb NUCLEASE S1

(Aspergillus
oryzae) 		PF02265
(S1-P1_nuclease) 		4 GLY A  25
HIS A  26
ASP A  65
ASP A 172
 None
ZN  A 401 ( 3.2A)
PO4  A 601 ( 2.7A)
ZN  A 403 ( 2.1A)
 0.91A 5nnwD-5fbbA:
undetectable		 5nnwD-5fbbA:
15.48
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 4 GLY A 162
ASP A 274
ASP A 143
ASN A 146
 None
 0.94A 5nnwD-5mg5A:
undetectable		 5nnwD-5mg5A:
21.84
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.
5tqj RESPONSE REGULATOR
RECEIVER PROTEIN

(Paraburkholderia
phymatum) 		PF00072
(Response_reg) 		4 ASP A  12
GLY A  18
ASP A  59
ASP A  14
 None
EDO  A 204 ( 4.4A)
None
None
 0.93A 5nnwD-5tqjA:
undetectable		 5nnwD-5tqjA:
19.85
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 4 GLY A 369
ASP A 394
HIS A 293
ASP A 368
 None
 1.02A 5nnwD-5ww1A:
undetectable		 5nnwD-5ww1A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		4 ASP A 325
HIS A 326
HIS A  67
ASP A  91
 None
 1.08A 5nnwD-5xoyA:
undetectable		 5nnwD-5xoyA:
12.63
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.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 4 ASP A 340
GLY A 339
HIS A 338
ASP A 358
 None
None
None
DL1  A 601 (-3.1A)
 1.06A 5nnwD-6bfnA:
undetectable		 5nnwD-6bfnA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 425
GLY A 427
HIS A 428
ASP A 481
 None
 1.07A 5nnwD-6c6lA:
undetectable		 5nnwD-6c6lA:
16.28
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 GLY A 706
HIS A 795
ASP A 792
ASN A 961
 None
 1.02A 5nnwD-6cg0A:
undetectable		 5nnwD-6cg0A:
21.11
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.
6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ASP G 477
GLY G 472
HIS G 105
ASP G 474
ASN G 478
 None
 1.35A 5nnwD-6ck9G:
undetectable		 5nnwD-6ck9G:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 4 ASP A 462
GLY A  94
HIS A  93
ASP A 249
 None
 1.07A 5nnwD-6evgA:
undetectable		 5nnwD-6evgA:
19.77