SIMILAR PATTERNS OF AMINO ACIDS FOR 4KN2_C_LYAC304

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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		5 ASP A 114
THR A 111
HIS A  81
SER A  87
TYR A  76
 None
 1.47A 4kn2C-1pzsA:
undetectable		 4kn2C-1pzsA:
17.35
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASP A 155
THR A 193
TYR A 186
GLY A 251
TYR A 182
 CA  A1670 ( 3.6A)
None
None
None
None
 1.24A 4kn2C-1r9jA:
0.0		 4kn2C-1r9jA:
15.64
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ASP A 237
TYR A 161
SER A  42
HIS A  80
GLY A  84
 None
 1.17A 4kn2C-1y7iA:
0.0		 4kn2C-1y7iA:
19.63
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ASP A 237
TYR A 161
SER A 179
HIS A  80
GLY A  84
 None
 1.41A 4kn2C-1y7iA:
0.0		 4kn2C-1y7iA:
19.63
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ASP A 332
THR A 333
TRP A 447
ARG A 197
GLY A 201
 None
None
None
None
SO4  A7503 (-3.2A)
 1.48A 4kn2C-2a9cA:
0.0		 4kn2C-2a9cA:
18.90
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 ASP A 476
THR A 477
SER A 644
GLY A 390
TYR A 490
 None
 1.39A 4kn2C-2c11A:
0.0		 4kn2C-2c11A:
13.90
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.
2f9z CHEMOTAXIS PROTEIN
CHEC
PROTEIN (CHEMOTAXIS
METHYLATION PROTEIN)

(Thermotoga
maritima) 		PF03975
(CheD)
PF04509
(CheC) 		5 ASP C  62
THR C  63
TYR C  60
SER A 161
GLY C  25
 None
 1.39A 4kn2C-2f9zC:
undetectable		 4kn2C-2f9zC:
18.64
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ASP A  99
TRP A 234
HIS A 398
GLY A 216
TYR A  95
 None
FAD  A1000 ( 4.4A)
None
None
None
 1.48A 4kn2C-2fjaA:
0.0		 4kn2C-2fjaA:
14.26
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 ASP A 198
SER A 262
GLY A 238
SER A 121
TYR A 122
 LLP  A 232 ( 2.8A)
None
None
None
None
 1.40A 4kn2C-2o0rA:
0.0		 4kn2C-2o0rA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 SER A 128
HIS A 109
GLY A 187
SER A  68
TYR A  81
 None
 1.41A 4kn2C-2q3oA:
undetectable		 4kn2C-2q3oA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		5 SER A  56
HIS A  93
GLY A  95
TRP A 108
SER A  77
 None
 1.39A 4kn2C-2vptA:
undetectable		 4kn2C-2vptA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 ASP A 330
THR A 327
GLY A 110
SER A 153
TYR A 154
 None
 1.29A 4kn2C-3cdxA:
undetectable		 4kn2C-3cdxA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 173
SER A  58
ARG A  59
HIS A  33
GLY A  26
 TLA  A 502 (-3.6A)
None
TLA  A 502 (-2.6A)
TLA  A 502 (-3.8A)
None
 1.41A 4kn2C-3d46A:
undetectable		 4kn2C-3d46A:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 ASP A  96
THR A 333
TRP A 251
HIS A 418
GLY A 233
 None
None
FAD  A1000 (-3.7A)
FAD  A1000 (-4.5A)
None
 1.40A 4kn2C-3gyxA:
undetectable		 4kn2C-3gyxA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3stt METHYLKETONE
SYNTHASE I

(Solanum
habrochaites) 		PF12697
(Abhydrolase_6) 		5 ASP A 242
TYR A 165
SER A  48
HIS A  86
GLY A  90
 None
 1.21A 4kn2C-3sttA:
undetectable		 4kn2C-3sttA:
19.42
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ASP A 321
SER A 313
HIS A 194
GLY A 163
TRP A 352
 OAN  A2000 (-4.0A)
None
None
None
OAN  A2000 ( 3.9A)
 1.42A 4kn2C-3sutA:
undetectable		 4kn2C-3sutA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ASP A 514
THR A 513
SER A 700
SER A 595
TYR A 538
 None
 1.40A 4kn2C-3vthA:
undetectable		 4kn2C-3vthA:
12.74
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		5 THR A 223
SER A 130
GLY A  90
SER A 256
TYR A  41
 None
 1.32A 4kn2C-4e3eA:
undetectable		 4kn2C-4e3eA:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		5 ASP A  97
ARG A 122
HIS A 151
GLY A 153
TRP A 187
 FOL  A 301 (-2.8A)
FOL  A 301 ( 4.4A)
FOL  A 301 (-3.9A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.5A)
 1.08A 4kn2C-4kmzA:
37.4		 4kn2C-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		12 ASP A  97
THR A  98
TYR A 101
SER A 117
TRP A 118
ARG A 119
HIS A 151
GLY A 153
TRP A 156
TRP A 187
SER A 190
TYR A 191
 FOL  A 301 (-2.8A)
FOL  A 301 ( 4.6A)
FOL  A 301 (-3.8A)
FOL  A 301 (-3.5A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.0A)
FOL  A 301 (-3.9A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.7A)
FOL  A 301 (-3.5A)
FOL  A 301 (-2.6A)
FOL  A 301 (-4.1A)
 0.28A 4kn2C-4kmzA:
37.4		 4kn2C-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		5 ASP A  81
ARG A 106
HIS A 135
GLY A 137
TRP A 171
 FOL  A 301 (-2.7A)
FOL  A 301 (-3.8A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.7A)
 0.93A 4kn2C-4lrhA:
34.7		 4kn2C-4lrhA:
77.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		12 ASP A  81
THR A  82
TYR A  85
SER A 101
TRP A 102
ARG A 103
HIS A 135
GLY A 137
TRP A 140
TRP A 171
SER A 174
TYR A 175
 FOL  A 301 (-2.7A)
None
FOL  A 301 (-4.1A)
FOL  A 301 (-3.5A)
FOL  A 301 (-4.2A)
FOL  A 301 (-3.2A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.6A)
FOL  A 301 (-3.7A)
FOL  A 301 (-2.8A)
FOL  A 301 (-4.1A)
 0.44A 4kn2C-4lrhA:
34.7		 4kn2C-4lrhA:
77.36
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 159
SER A  97
HIS A 186
GLY A 322
TYR A 247
 2H3  A 402 (-2.8A)
None
2H3  A 402 ( 3.8A)
None
2H3  A 402 (-4.5A)
 1.22A 4kn2C-4n54A:
undetectable		 4kn2C-4n54A:
19.08
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 TYR A 489
TRP A 150
HIS A 388
GLY A 362
SER A  77
 None
 1.22A 4kn2C-5cslA:
undetectable		 4kn2C-5cslA:
6.18
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 380
TYR A 382
SER A 398
GLY A 162
SER A 173
 None
None
None
FAD  A 501 (-3.2A)
None
 1.02A 4kn2C-5l6fA:
undetectable		 4kn2C-5l6fA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ehl ANTI-(6-4)
PHOTOPRODUCT
ANTIBODY 64M-2 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR H  90
GLN H  43
TRP H  47
 None
 1.02A 4kn2C-1ehlH:
0.0		 4kn2C-1ehlH:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fi8 ECOTIN

(Escherichia
coli) 		PF03974
(Ecotin) 		3 TYR D 127
GLN C  30
TRP D 130
 None
 1.12A 4kn2C-1fi8D:
undetectable		 4kn2C-1fi8D:
14.50
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		3 TYR A 313
GLN A 257
TRP A 342
 None
 1.10A 4kn2C-1h3gA:
0.0		 4kn2C-1h3gA:
14.61
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.
1ifg ECOTIN

(Escherichia
coli) 		PF03974
(Ecotin) 		3 TYR A 127
GLN A  30
TRP A 130
 None
 1.09A 4kn2C-1ifgA:
undetectable		 4kn2C-1ifgA:
19.32
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		3 TYR A 240
GLN A 329
TRP A 309
 None
MG  A 901 ( 4.7A)
None
 1.11A 4kn2C-1kczA:
0.0		 4kn2C-1kczA:
17.26
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 TYR A 208
GLN A 261
TRP A 151
 None
 0.93A 4kn2C-1kwmA:
0.0		 4kn2C-1kwmA:
19.50
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 TYR A 208
GLN A 261
TRP A 151
 None
 0.60A 4kn2C-1nsaA:
undetectable		 4kn2C-1nsaA:
21.17
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.
1oa3 ENDO-BETA-1-4-GLUCAN
ASE

(Trichoderma
citrinoviride) 		PF01670
(Glyco_hydro_12) 		3 TYR A  98
GLN A 142
TRP A 120
 None
 1.03A 4kn2C-1oa3A:
0.0		 4kn2C-1oa3A:
19.75
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		3 TYR A 117
GLN A 307
TRP A 114
 None
None
MAB  A 401 (-3.6A)
 0.93A 4kn2C-1qnrA:
0.0		 4kn2C-1qnrA:
19.60
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.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		3 TYR A 128
GLN A 132
TRP A 324
 CAC  A2004 ( 4.3A)
None
None
 1.10A 4kn2C-1qqjA:
undetectable		 4kn2C-1qqjA:
17.58
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.
1t4w C.ELEGANS P53 TUMOR
SUPPRESSOR-LIKE
TRANSCRIPTION FACTOR

(Caenorhabditis
elegans) 		PF09287
(CEP1-DNA_bind) 		3 TYR A 402
GLN A 362
TRP A 254
 None
 1.00A 4kn2C-1t4wA:
undetectable		 4kn2C-1t4wA:
19.92
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.
1tie ERYTHRINA TRYPSIN
INHIBITOR

(Erythrina
caffra) 		PF00197
(Kunitz_legume) 		3 TYR A  17
GLN A  30
TRP A  23
 None
 1.00A 4kn2C-1tieA:
undetectable		 4kn2C-1tieA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uef DOCKING PROTEIN 1

(Mus musculus) 		PF02174
(IRS) 		3 TYR A  62
GLN A 105
TRP A  54
 None
 1.08A 4kn2C-1uefA:
undetectable		 4kn2C-1uefA:
17.70
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.
1ups GLCNAC-ALPHA-1,4-GAL
-RELEASING
ENDO-BETA-GALACTOSID
ASE

(Clostridium
perfringens) 		PF00722
(Glyco_hydro_16) 		3 TYR A  67
GLN A  82
TRP A 269
 None
 0.89A 4kn2C-1upsA:
undetectable		 4kn2C-1upsA:
15.87
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.
1x5i NEOGENIN

(Homo sapiens) 		PF00041
(fn3) 		3 TYR A  78
GLN A  53
TRP A  47
 None
 1.15A 4kn2C-1x5iA:
undetectable		 4kn2C-1x5iA:
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.
1yjd FAB FRAGMENT OF
5.11A1 ANTIBODY
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR H  94
GLN H  43
TRP H  47
 None
 1.03A 4kn2C-1yjdH:
undetectable		 4kn2C-1yjdH:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z14 VP2

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		3 TYR A 130
GLN A 548
TRP A 128
 None
 0.89A 4kn2C-1z14A:
undetectable		 4kn2C-1z14A:
16.94
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.
1z6m CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13462
(Thioredoxin_4) 		3 TYR A  38
GLN A 102
TRP A  42
 None
 0.90A 4kn2C-1z6mA:
undetectable		 4kn2C-1z6mA:
23.11
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		3 TYR A 208
GLN A 261
TRP A 151
 None
 0.95A 4kn2C-1zliA:
undetectable		 4kn2C-1zliA:
20.72
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.
2a90 DELTEX PROTEIN

(Drosophila
melanogaster) 		PF02825
(WWE) 		3 TYR A 121
GLN A 204
TRP A  49
 None
 1.11A 4kn2C-2a90A:
undetectable		 4kn2C-2a90A:
20.70
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.
2e80 CYTOCHROME C-552

(Wolinella
succinogenes) 		PF02335
(Cytochrom_C552) 		3 TYR A 169
GLN A 213
TRP A  64
 None
HEM  A1510 ( 4.7A)
HEM  A1509 (-3.9A)
 1.15A 4kn2C-2e80A:
undetectable		 4kn2C-2e80A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iqf CATALASE

(Helicobacter
pylori) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 TYR A 418
GLN A 333
TRP A 416
 None
 1.06A 4kn2C-2iqfA:
undetectable		 4kn2C-2iqfA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j0v RAC-LIKE GTP-BINDING
PROTEIN ARAC7

(Arabidopsis
thaliana) 		PF00071
(Ras) 		3 TYR A  75
GLN A  64
TRP A  59
 None
 1.14A 4kn2C-2j0vA:
undetectable		 4kn2C-2j0vA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7e COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		3 TYR B2256
GLN B2284
TRP B2313
 None
 0.81A 4kn2C-2r7eB:
undetectable		 4kn2C-2r7eB:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vq2 PUTATIVE FIMBRIAL
BIOGENESIS AND
TWITCHING MOTILITY
PROTEIN

(Neisseria
meningitidis) 		PF13429
(TPR_15) 		3 TYR A 127
GLN A  90
TRP A 112
 None
 0.91A 4kn2C-2vq2A:
undetectable		 4kn2C-2vq2A:
19.92
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		3 TYR A  80
GLN A 121
TRP A  49
 None
 1.13A 4kn2C-2vw8A:
undetectable		 4kn2C-2vw8A:
19.75
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 TYR A 285
GLN A 249
TRP A 254
 None
 1.14A 4kn2C-2wpgA:
undetectable		 4kn2C-2wpgA:
15.82
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.
2x26 PERIPLASMIC
ALIPHATIC
SULPHONATES-BINDING
PROTEIN

(Escherichia
coli) 		PF09084
(NMT1) 		3 TYR A 100
GLN A 306
TRP A 309
 None
 0.98A 4kn2C-2x26A:
undetectable		 4kn2C-2x26A:
18.04
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 TYR A 520
GLN A 493
TRP A 467
 3ES  A1635 (-4.7A)
None
None
 1.05A 4kn2C-2xy9A:
undetectable		 4kn2C-2xy9A:
15.74
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 TYR A 498
GLN A 471
TRP A 445
 3ES  A1611 (-4.7A)
None
None
 1.03A 4kn2C-2xydA:
undetectable		 4kn2C-2xydA:
15.91
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 TYR A 153
GLN A 126
TRP A 132
 None
None
CU  A 702 (-4.3A)
 0.77A 4kn2C-3abgA:
undetectable		 4kn2C-3abgA:
17.38
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		3 TYR A 284
GLN A 248
TRP A 253
 None
 1.14A 4kn2C-3czeA:
undetectable		 4kn2C-3czeA:
13.86
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		3 TYR A 110
GLN A 184
TRP A 112
 None
 0.91A 4kn2C-3eeiA:
undetectable		 4kn2C-3eeiA:
21.48
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.
3ehk PRUNIN

(Prunus dulcis) 		PF00190
(Cupin_1) 		3 TYR A 223
GLN A  70
TRP A 191
 None
 1.17A 4kn2C-3ehkA:
undetectable		 4kn2C-3ehkA:
14.12
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		3 TYR A  60
GLN A 247
TRP A 321
 None
None
EDO  A 361 (-4.5A)
 0.85A 4kn2C-3ianA:
undetectable		 4kn2C-3ianA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kst ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		3 TYR A 121
GLN A  90
TRP A 104
 None
 1.09A 4kn2C-3kstA:
undetectable		 4kn2C-3kstA:
19.48
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.
3ll3 GLUCONATE KINASE

(Lactobacillus
acidophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 TYR A 133
GLN A 107
TRP A 137
 None
 1.18A 4kn2C-3ll3A:
undetectable		 4kn2C-3ll3A:
16.07
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.
3mop INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE-LIKE 2

(Homo sapiens) 		PF00531
(Death) 		3 TYR K   6
GLN K  73
TRP K  63
 None
 1.00A 4kn2C-3mopK:
undetectable		 4kn2C-3mopK:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndy ENDOGLUCANASE D

(Clostridium
cellulovorans) 		PF00150
(Cellulase) 		3 TYR A 176
GLN A 122
TRP A 131
 None
 1.13A 4kn2C-3ndyA:
undetectable		 4kn2C-3ndyA:
19.13
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		3 TYR A 287
GLN A 351
TRP A 273
 None
 0.90A 4kn2C-3njxA:
undetectable		 4kn2C-3njxA:
16.77
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.
3p30 1281 FAB HEAVY CHAIN
1281 FAB LIGHT CHAIN
HIV-1 GP41

(Homo sapiens;
Human
immunodeficiency
virus 1) 		PF07654
(C1-set)
PF07686
(V-set)
no annotation 		3 TYR L  49
GLN A 650
TRP H 103
 None
 1.09A 4kn2C-3p30L:
undetectable		 4kn2C-3p30L:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qjh 5C.C7 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR B 103
GLN B  56
TRP B  34
 None
 1.16A 4kn2C-3qjhB:
undetectable		 4kn2C-3qjhB:
21.03
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.
3qk3 BETA-CRYSTALLIN B3

(Homo sapiens) 		PF00030
(Crystall) 		3 TYR A 178
GLN A  78
TRP A 181
 None
 0.96A 4kn2C-3qk3A:
undetectable		 4kn2C-3qk3A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sng NUCLEASE

(Solanum
lycopersicum) 		PF02265
(S1-P1_nuclease) 		3 TYR A 250
GLN A 154
TRP A 248
 None
 1.11A 4kn2C-3sngA:
undetectable		 4kn2C-3sngA:
20.92
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		3 TYR A 289
GLN A 177
TRP A 248
 EPE  A 804 (-3.9A)
None
None
 1.15A 4kn2C-3w5fA:
undetectable		 4kn2C-3w5fA:
14.12
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		3 TYR A 149
GLN A 340
TRP A 146
 None
 0.91A 4kn2C-3wflA:
undetectable		 4kn2C-3wflA:
20.51
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		3 TYR A 115
GLN A 307
TRP A 112
 None
 0.92A 4kn2C-3wh9A:
undetectable		 4kn2C-3wh9A:
18.07
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.
4a0k CULLIN-4A

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 TYR A 536
GLN A 673
TRP A 569
 None
 1.05A 4kn2C-4a0kA:
undetectable		 4kn2C-4a0kA:
15.58
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 TYR E 690
GLN E 827
TRP E 723
 None
 1.13A 4kn2C-4a0lE:
undetectable		 4kn2C-4a0lE:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		3 TYR A 128
GLN A 345
TRP A 125
 None
CL  A1394 (-3.7A)
TRS  A1391 ( 4.8A)
 0.98A 4kn2C-4aweA:
undetectable		 4kn2C-4aweA:
18.25
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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 TYR A 467
GLN A 490
TRP A 408
 None
 1.11A 4kn2C-4c7gA:
undetectable		 4kn2C-4c7gA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		3 TYR A 222
GLN A 127
TRP A 220
 None
 1.11A 4kn2C-4cxoA:
undetectable		 4kn2C-4cxoA:
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.
4cya DPSA15

(Streptomyces
coelicolor) 		PF00210
(Ferritin) 		3 TYR A 118
GLN A  65
TRP A 155
 None
 1.07A 4kn2C-4cyaA:
undetectable		 4kn2C-4cyaA:
20.19
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		3 TYR A 991
GLN A 219
TRP A 150
 None
 1.02A 4kn2C-4f4cA:
undetectable		 4kn2C-4f4cA:
8.60
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		3 TYR A 113
GLN A  65
TRP A 197
 None
 1.04A 4kn2C-4fnmA:
undetectable		 4kn2C-4fnmA:
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.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 TYR A 156
GLN A 151
TRP A 154
 None
 1.10A 4kn2C-4gi2A:
undetectable		 4kn2C-4gi2A:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		3 TYR A 175
GLN A 136
TRP A 189
 None
 1.16A 4kn2C-4hpeA:
undetectable		 4kn2C-4hpeA:
18.48
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.
4ig8 2'-5'-OLIGOADENYLATE
SYNTHASE 1

(Homo sapiens) 		PF01909
(NTP_transf_2)
PF10421
(OAS1_C) 		3 TYR A 216
GLN A 318
TRP A 326
 None
 1.11A 4kn2C-4ig8A:
undetectable		 4kn2C-4ig8A:
16.71
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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 TYR A 302
GLN A   9
TRP A 306
 None
 1.15A 4kn2C-4irnA:
undetectable		 4kn2C-4irnA:
18.85
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.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 TYR A 296
GLN A 299
TRP A 295
 None
 1.17A 4kn2C-4k3bA:
undetectable		 4kn2C-4k3bA:
13.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		3 TYR A  76
GLN A 116
TRP A 154
 FOL  A 301 (-3.8A)
FOL  A 301 ( 4.8A)
None
 0.20A 4kn2C-4kmzA:
37.4		 4kn2C-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		3 TYR A  60
GLN A 100
TRP A 138
 FOL  A 301 (-3.9A)
FOL  A 301 (-4.3A)
None
 0.45A 4kn2C-4lrhA:
34.7		 4kn2C-4lrhA:
77.36
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		3 TYR X  79
GLN X  50
TRP X  77
 None
 1.17A 4kn2C-4n5iX:
undetectable		 4kn2C-4n5iX:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4noo VGRG PROTEIN

(Vibrio cholerae) 		no annotation 3 TYR A 826
GLN A 972
TRP A 937
 None
 0.95A 4kn2C-4nooA:
undetectable		 4kn2C-4nooA:
18.70
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.
4nso EFFECTOR PROTEIN

(Vibrio cholerae) 		no annotation 3 TYR A 826
GLN A 972
TRP A 937
 None
 0.98A 4kn2C-4nsoA:
undetectable		 4kn2C-4nsoA:
19.27
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		3 TYR A 151
GLN A 146
TRP A  22
 None
 1.12A 4kn2C-4p68A:
undetectable		 4kn2C-4p68A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qp0 ENDO-BETA-MANNANASE

(Rhizomucor
miehei) 		PF00150
(Cellulase) 		3 TYR A 114
GLN A 325
TRP A 111
 None
 0.94A 4kn2C-4qp0A:
undetectable		 4kn2C-4qp0A:
19.07
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		3 TYR B 593
GLN B 376
TRP B 589
 CLA  B1234 (-3.4A)
CLA  B1222 (-3.4A)
CLA  B9010 ( 3.4A)
 1.18A 4kn2C-4rkuB:
undetectable		 4kn2C-4rkuB:
13.77
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.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 TYR A 275
GLN A 451
TRP A 533
 None
 1.07A 4kn2C-4up7A:
undetectable		 4kn2C-4up7A:
12.23
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.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		3 TYR A 245
GLN A 192
TRP A  46
 None
PLP  A1380 ( 4.9A)
None
 0.99A 4kn2C-4v15A:
undetectable		 4kn2C-4v15A:
16.89
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		3 TYR A 157
GLN C 256
TRP C 189
 None
None
DKA  C 601 (-3.8A)
 1.11A 4kn2C-4yfaA:
undetectable		 4kn2C-4yfaA:
17.92
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		3 TYR A 165
GLN C 256
TRP C 189
 None
None
DKA  C 601 (-3.8A)
 1.16A 4kn2C-4yfaA:
undetectable		 4kn2C-4yfaA:
17.92
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		3 TYR A 386
GLN A 318
TRP A 327
 None
 1.07A 4kn2C-5awfA:
undetectable		 4kn2C-5awfA:
16.67
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		3 TYR A 157
GLN A 458
TRP A 391
 None
 1.04A 4kn2C-5c9iA:
undetectable		 4kn2C-5c9iA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		3 TYR A 165
GLN A 458
TRP A 391
 None
 1.07A 4kn2C-5c9iA:
undetectable		 4kn2C-5c9iA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d1z IRON-REGULATED
SURFACE DETERMINANT
PROTEIN B
Y10 HEAVY CHAIN

(Homo sapiens;
Staphylococcus
aureus) 		PF05031
(NEAT)
PF07654
(C1-set)
PF07686
(V-set) 		3 TYR B 108
GLN I 127
TRP B  34
 None
 0.93A 4kn2C-5d1zB:
undetectable		 4kn2C-5d1zB:
19.70
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.
5d6s EPOXYQUEUOSINE
REDUCTASE

(Streptococcus
thermophilus) 		PF08331
(DUF1730)
PF13484
(Fer4_16) 		3 TYR A 101
GLN A 216
TRP A  97
 B12  A 403 ( 4.9A)
B12  A 403 ( 4.2A)
None
 0.95A 4kn2C-5d6sA:
undetectable		 4kn2C-5d6sA:
16.54
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		3 TYR A 150
GLN A 126
TRP A 123
 None
 1.09A 4kn2C-5dooA:
undetectable		 4kn2C-5dooA:
15.44
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.
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas sp.) 		PF16670
(PI-PLC-C1) 		3 TYR A 282
GLN A 275
TRP A 262
 None
None
INS  A 301 (-3.8A)
 1.02A 4kn2C-5fyrA:
undetectable		 4kn2C-5fyrA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyl LEGUMIN-LIKE PROTEIN

(Cicer arietinum) 		PF00190
(Cupin_1) 		3 TYR A 182
GLN A  89
TRP A 150
 None
 1.11A 4kn2C-5gylA:
undetectable		 4kn2C-5gylA:
15.83
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		3 TYR A 304
GLN A 253
TRP A 288
 None
 1.17A 4kn2C-5hy5A:
undetectable		 4kn2C-5hy5A:
15.94
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 TYR A 337
GLN A 296
TRP A 316
 None
 1.16A 4kn2C-5i2tA:
undetectable		 4kn2C-5i2tA:
14.44
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.
5i4q CONTACT-DEPENDENT
INHIBITOR I

(Escherichia
coli) 		no annotation 3 TYR B  89
GLN B  48
TRP B  94
 None
 1.17A 4kn2C-5i4qB:
undetectable		 4kn2C-5i4qB:
16.75
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.
5ikj CRYPTIC LOCI
REGULATOR 2
CRYPTIC LOCI
REGULATOR PROTEIN 1

(Schizosaccharomyces
pombe) 		PF10383
(Clr2)
PF16761
(Clr2_transil)
no annotation 		3 TYR A 180
GLN B1231
TRP A   8
 None
 1.02A 4kn2C-5ikjA:
undetectable		 4kn2C-5ikjA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		3 TYR A 208
GLN A 261
TRP A 151
 None
 0.96A 4kn2C-5j1qA:
undetectable		 4kn2C-5j1qA:
20.66
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.
5k04 N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3
UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF08445
(FR47)
PF09797
(NatB_MDM20) 		3 TYR A 404
GLN B  53
TRP A 551
 None
 1.12A 4kn2C-5k04A:
undetectable		 4kn2C-5k04A:
12.58
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		3 TYR A 300
GLN A 249
TRP A 284
 None
 1.14A 4kn2C-5lv9A:
undetectable		 4kn2C-5lv9A:
16.50
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		3 TYR A 558
GLN A 428
TRP A 560
 None
 1.16A 4kn2C-5n8oA:
undetectable		 4kn2C-5n8oA:
7.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN

(Chaetomium
thermophilum) 		PF12569
(NARP1)
PF13432
(TPR_16) 		3 TYR A 555
GLN A 666
TRP A 545
 None
GOL  A 811 (-4.2A)
None
 1.06A 4kn2C-5nnpA:
undetectable		 4kn2C-5nnpA:
13.14
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 3 TYR B 322
GLN B 234
TRP B 219
 None
 1.17A 4kn2C-5op0B:
undetectable		 4kn2C-5op0B:
19.69
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 3 TYR b 590
GLN b 374
TRP b 586
 CLA  b1838 (-3.8A)
CLA  b1828 (-3.2A)
CLA  b1806 ( 3.6A)
 1.13A 4kn2C-5oy0b:
undetectable		 4kn2C-5oy0b:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t8y EPOXYQUEUOSINE
REDUCTASE

(Bacillus
subtilis) 		PF08331
(DUF1730)
PF13484
(Fer4_16)
PF13646
(HEAT_2) 		3 TYR A 105
GLN A 220
TRP A 101
 B12  A 503 (-4.7A)
B12  A 503 ( 4.3A)
None
 0.92A 4kn2C-5t8yA:
undetectable		 4kn2C-5t8yA:
17.79
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.
5tqw INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A 204
GLN A 285
TRP A 205
 None
 1.04A 4kn2C-5tqwA:
undetectable		 4kn2C-5tqwA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tud ANTI-5-HT2B FAB
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR C  94
GLN C  43
TRP C  47
 None
 0.94A 4kn2C-5tudC:
undetectable		 4kn2C-5tudC:
23.30
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.
5uz5 PROTEIN NAM8
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 3 TYR D 241
GLN F 293
TRP D 186
 None
 0.88A 4kn2C-5uz5D:
undetectable		 4kn2C-5uz5D:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		3 TYR A 510
GLN A 458
TRP A 464
 GB0  A1001 ( 2.7A)
GB0  A1001 (-3.7A)
None
 1.12A 4kn2C-5v8kA:
undetectable		 4kn2C-5v8kA:
13.14
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-4

(Homo sapiens) 		no annotation 3 TYR I 156
GLN I 146
TRP I 159
 None
 1.17A 4kn2C-5vfrI:
undetectable		 4kn2C-5vfrI:
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.
5y9v RYANODINE RECEPTOR 1

(Plutella
xylostella) 		no annotation 3 TYR A 114
GLN A  69
TRP A 144
 None
 1.13A 4kn2C-5y9vA:
undetectable		 4kn2C-5y9vA:
15.31
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.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 3 TYR B 644
GLN B 652
TRP B 596
 None
 1.13A 4kn2C-6dcqB:
undetectable		 4kn2C-6dcqB:
14.58
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.
6fhe -

(-) 		no annotation 3 TYR A 197
GLN A  96
TRP A 302
 None
 1.14A 4kn2C-6fheA:
undetectable		 4kn2C-6fheA:
undetectable