SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z0F_B_DAHB98

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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 240
HIS A 244
HIS A  88
HIS A 109
ASP A  17
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
None
 1.21A 5z0fA-1bt2A:
20.9
5z0fB-1bt2A:
0.0		 5z0fA-1bt2A:
13.04
5z0fB-1bt2A:
12.75
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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 240
HIS A 244
HIS A  88
HIS A 109
PRO A  19
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
None
 1.22A 5z0fA-1bt2A:
20.9
5z0fB-1bt2A:
0.0		 5z0fA-1bt2A:
13.04
5z0fB-1bt2A:
12.75
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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 240
ILE A 241
HIS A 244
HIS A  88
HIS A 109
 C2O  A 500 ( 3.2A)
None
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
 1.14A 5z0fA-1bt2A:
20.9
5z0fB-1bt2A:
0.0		 5z0fA-1bt2A:
13.04
5z0fB-1bt2A:
12.75
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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 244
HIS A 240
HIS A 109
HIS A  88
VAL A  87
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
C2O  A 500 ( 3.2A)
None
 1.18A 5z0fA-1bt2A:
20.9
5z0fB-1bt2A:
0.0		 5z0fA-1bt2A:
13.04
5z0fB-1bt2A:
12.75
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		5 HIS A 128
HIS A  80
HIS A 325
ASN A 273
VAL A 283
 CUZ  A4801 (-3.2A)
CUZ  A4801 (-3.3A)
CUZ  A4801 ( 3.3A)
CL  A4901 (-3.5A)
None
 1.18A 5z0fA-1fwxA:
undetectable
5z0fB-1fwxA:
0.8		 5z0fA-1fwxA:
9.59
5z0fB-1fwxA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS A 194
HIS A 198
HIS A 344
ASN A 345
HIS A 348
VAL A 349
 CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
CU  A 666 (-3.1A)
None
CU  A 666 (-3.8A)
None
 0.78A 5z0fA-1hcyA:
0.0
5z0fB-1hcyA:
0.0		 5z0fA-1hcyA:
9.38
5z0fB-1hcyA:
8.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 5 HIS A  25
HIS A  54
HIS A  73
HIS A 101
ASP A  79
 FEO  A 115 (-3.3A)
FEO  A 115 (-3.5A)
FEO  A 115 (-3.4A)
FEO  A 115 (-3.4A)
None
 1.36A 5z0fA-1hmdA:
undetectable
5z0fB-1hmdA:
undetectable		 5z0fA-1hmdA:
20.69
5z0fB-1hmdA:
15.04
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.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 5 HIS A  54
ILE A  21
HIS A  25
HIS A 101
HIS A  73
 FEO  A 115 (-3.5A)
None
FEO  A 115 (-3.3A)
FEO  A 115 (-3.4A)
FEO  A 115 (-3.4A)
 1.34A 5z0fA-1hmdA:
undetectable
5z0fB-1hmdA:
undetectable		 5z0fA-1hmdA:
20.69
5z0fB-1hmdA:
15.04
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.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 5 HIS A  54
ILE A  21
HIS A  25
HIS A 101
HIS A  77
 FEO  A 115 (-3.5A)
None
FEO  A 115 (-3.3A)
FEO  A 115 (-3.4A)
FEO  A 115 (-3.4A)
 1.38A 5z0fA-1hmdA:
undetectable
5z0fB-1hmdA:
undetectable		 5z0fA-1hmdA:
20.69
5z0fB-1hmdA:
15.04
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A2543
HIS A2562
HIS A2671
ASN A2672
HIS A2675
 CUO  A 888 (-3.4A)
CUO  A 888 (-3.4A)
CUO  A 888 (-3.4A)
None
CUO  A 888 (-3.3A)
 0.60A 5z0fA-1js8A:
23.5
5z0fB-1js8A:
0.0		 5z0fA-1js8A:
9.57
5z0fB-1js8A:
11.89
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A2543
HIS A2571
HIS A2671
ASN A2672
HIS A2675
 CUO  A 888 (-3.4A)
CUO  A 888 (-3.3A)
CUO  A 888 (-3.4A)
None
CUO  A 888 (-3.3A)
 1.48A 5z0fA-1js8A:
23.5
5z0fB-1js8A:
0.0		 5z0fA-1js8A:
9.57
5z0fB-1js8A:
11.89
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 161
HIS A1020
HIS A 980
ASP A 118
PRO A 117
 CU  A1051 (-3.3A)
CU  A1050 (-3.2A)
CU  A1050 (-3.0A)
None
None
 1.24A 5z0fA-1kcwA:
undetectable
5z0fB-1kcwA:
0.0		 5z0fA-1kcwA:
6.24
5z0fB-1kcwA:
5.58
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		7 HIS A 173
HIS A 177
HIS A 324
HIS A 328
VAL A 329
SER A 354
PRO A  51
 CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
CU  A 630 (-3.3A)
CU  A 630 (-3.2A)
CL  A 632 ( 3.7A)
None
None
 1.06A 5z0fA-1llaA:
9.0
5z0fB-1llaA:
0.0		 5z0fA-1llaA:
10.39
5z0fB-1llaA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		7 HIS A 173
HIS A 324
ASN A 325
HIS A 328
VAL A 329
SER A 354
PRO A  51
 CU  A 629 (-3.2A)
CU  A 630 (-3.3A)
None
CU  A 630 (-3.2A)
CL  A 632 ( 3.7A)
None
None
 0.95A 5z0fA-1llaA:
9.0
5z0fB-1llaA:
0.0		 5z0fA-1llaA:
10.39
5z0fB-1llaA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 328
HIS A 324
HIS A 177
HIS A 173
SER A 354
 CU  A 630 (-3.2A)
CU  A 630 (-3.3A)
CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
None
 1.02A 5z0fA-1llaA:
9.0
5z0fB-1llaA:
0.0		 5z0fA-1llaA:
10.39
5z0fB-1llaA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A  41
HIS A  61
ASN A 182
HIS A 185
ASP A 341
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
None
CU  A5012 (-3.2A)
None
 1.22A 5z0fA-1lnlA:
20.2
5z0fB-1lnlA:
undetectable		 5z0fA-1lnlA:
13.20
5z0fB-1lnlA:
12.29
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A  41
HIS A  61
HIS A 181
ASN A 182
HIS A 185
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
CU  A5012 (-3.4A)
None
CU  A5012 (-3.2A)
 0.63A 5z0fA-1lnlA:
20.2
5z0fB-1lnlA:
undetectable		 5z0fA-1lnlA:
13.20
5z0fB-1lnlA:
12.29
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.
1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 HIS A 586
ILE A 602
HIS A 190
HIS A 562
ASP A 580
 None
 1.21A 5z0fA-1n7dA:
undetectable
5z0fB-1n7dA:
1.1		 5z0fA-1n7dA:
8.32
5z0fB-1n7dA:
6.29
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 HIS A 211
HIS A 215
VAL A 216
ASP A 276
PRO A 277
 None
 0.89A 5z0fA-1o4zA:
undetectable
5z0fB-1o4zA:
0.0		 5z0fA-1o4zA:
12.14
5z0fB-1o4zA:
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 HIS A 211
HIS A 215
VAL A 216
SER A 213
ASP A 276
 None
 1.30A 5z0fA-1o4zA:
undetectable
5z0fB-1o4zA:
0.0		 5z0fA-1o4zA:
12.14
5z0fB-1o4zA:
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 HIS A  82
ILE A  81
HIS A 239
ASN A 193
VAL A 196
 GOL  A3005 (-3.9A)
GOL  A3005 ( 4.2A)
GOL  A3001 ( 3.9A)
None
None
 1.10A 5z0fA-1q8fA:
undetectable
5z0fB-1q8fA:
undetectable		 5z0fA-1q8fA:
12.78
5z0fB-1q8fA:
15.30
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.
1vk1 CONSERVED
HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		PF02195
(ParBc) 		5 HIS A  29
ILE A  67
HIS A  71
HIS A 225
PRO A  53
 None
MLY  A  27 ( 3.8A)
PO4  A 301 (-3.9A)
None
None
 1.48A 5z0fA-1vk1A:
undetectable
5z0fB-1vk1A:
undetectable		 5z0fA-1vk1A:
14.46
5z0fB-1vk1A:
16.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		8 HIS A  38
ILE A  42
HIS A  54
HIS A 190
ASN A 191
HIS A 194
VAL A 195
SER A 206
 CU  A 400 ( 3.3A)
None
CU  A 400 ( 3.3A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
None
PER  A 409 ( 4.1A)
 0.31A 5z0fA-1wx4A:
49.3
5z0fB-1wx4A:
undetectable		 5z0fA-1wx4A:
100.00
5z0fB-1wx4A:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 HIS A 194
HIS A 190
HIS A  54
HIS A  38
SER A 206
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 400 ( 3.3A)
CU  A 400 ( 3.3A)
PER  A 409 ( 4.1A)
 0.97A 5z0fA-1wx4A:
49.3
5z0fB-1wx4A:
undetectable		 5z0fA-1wx4A:
100.00
5z0fB-1wx4A:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 HIS A 194
HIS A 190
HIS A  63
HIS A  38
SER A 206
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 400 ( 3.5A)
CU  A 400 ( 3.3A)
PER  A 409 ( 4.1A)
 1.46A 5z0fA-1wx4A:
49.3
5z0fB-1wx4A:
undetectable		 5z0fA-1wx4A:
100.00
5z0fB-1wx4A:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 HIS A 194
HIS A 216
HIS A  54
HIS A  38
SER A 206
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.4A)
CU  A 400 ( 3.3A)
CU  A 400 ( 3.3A)
PER  A 409 ( 4.1A)
 1.40A 5z0fA-1wx4A:
49.3
5z0fB-1wx4A:
undetectable		 5z0fA-1wx4A:
100.00
5z0fB-1wx4A:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 ILE A  42
HIS A  54
HIS A 216
HIS A 194
SER A 206
 None
CU  A 400 ( 3.3A)
CU  A 401 ( 3.4A)
CU  A 401 ( 3.2A)
PER  A 409 ( 4.1A)
 1.48A 5z0fA-1wx4A:
49.3
5z0fB-1wx4A:
undetectable		 5z0fA-1wx4A:
100.00
5z0fB-1wx4A:
15.12
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 HIS A 111
HIS A 230
ASN A 217
HIS A 183
HIS A 215
 ZN  A 301 ( 3.4A)
SO4  A 304 (-3.3A)
None
ZN  A 302 (-3.2A)
ZN  A 303 (-3.5A)
 1.09A 5z0fA-1xp3A:
undetectable
5z0fB-1xp3A:
undetectable		 5z0fA-1xp3A:
12.42
5z0fB-1xp3A:
13.76
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 HIS A  25
ILE A 199
HIS A 148
HIS A  86
HIS A 228
 EDO  A 602 ( 2.9A)
EDO  A 602 ( 4.6A)
FEO  A 501 (-2.8A)
FEO  A 501 (-3.1A)
FEO  A 501 ( 3.1A)
 1.01A 5z0fA-1ycgA:
undetectable
5z0fB-1ycgA:
undetectable		 5z0fA-1ycgA:
13.66
5z0fB-1ycgA:
13.64
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.
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A 335
VAL A 313
HIS A 332
ASP A 303
PRO A 300
 None
 1.33A 5z0fA-1ys4A:
undetectable
5z0fB-1ys4A:
undetectable		 5z0fA-1ys4A:
11.85
5z0fB-1ys4A:
13.28
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 HIS A 215
ILE A 154
HIS A 152
ASN A 249
HIS A 247
 FE2  A 399 ( 3.3A)
BP7  A 401 (-4.3A)
FE2  A 399 ( 3.4A)
BP7  A 400 (-3.3A)
BP7  A 400 (-3.2A)
 1.41A 5z0fA-2ei0A:
undetectable
5z0fB-2ei0A:
undetectable		 5z0fA-2ei0A:
15.23
5z0fB-2ei0A:
11.68
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 HIS A 215
ILE A 154
HIS A 152
HIS A 247
ASN A 249
 FE2  A 399 ( 3.3A)
BP7  A 401 (-4.3A)
FE2  A 399 ( 3.4A)
BP7  A 400 (-3.2A)
BP7  A 400 (-3.3A)
 1.35A 5z0fA-2ei0A:
undetectable
5z0fB-2ei0A:
undetectable		 5z0fA-2ei0A:
15.23
5z0fB-2ei0A:
11.68
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		5 HIS A  25
HIS A  54
HIS A  73
HIS A 106
ASP A  79
 FEO  A 119 ( 3.4A)
FEO  A 119 ( 3.3A)
FEO  A 119 (-3.5A)
FEO  A 119 ( 3.3A)
None
 1.43A 5z0fA-2mhrA:
undetectable
5z0fB-2mhrA:
undetectable		 5z0fA-2mhrA:
16.80
5z0fB-2mhrA:
17.80
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A  87
HIS A 108
HIS A 239
ASN A 240
HIS A 243
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
None
C2O  A 340 (-3.3A)
 0.38A 5z0fA-2p3xA:
21.1
5z0fB-2p3xA:
undetectable		 5z0fA-2p3xA:
14.51
5z0fB-2p3xA:
14.20
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A  87
HIS A 117
HIS A 239
ASN A 240
HIS A 243
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.5A)
C2O  A 340 (-3.2A)
None
C2O  A 340 (-3.3A)
 1.49A 5z0fA-2p3xA:
21.1
5z0fB-2p3xA:
undetectable		 5z0fA-2p3xA:
14.51
5z0fB-2p3xA:
14.20
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 239
HIS A 243
HIS A  87
HIS A 108
PRO A  17
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
None
 1.18A 5z0fA-2p3xA:
21.1
5z0fB-2p3xA:
undetectable		 5z0fA-2p3xA:
14.51
5z0fB-2p3xA:
14.20
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 243
HIS A 239
HIS A 108
HIS A  87
VAL A  86
 C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
None
 1.11A 5z0fA-2p3xA:
21.1
5z0fB-2p3xA:
undetectable		 5z0fA-2p3xA:
14.51
5z0fB-2p3xA:
14.20
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.
2uzx HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 HIS B 144
ILE B  70
VAL B 136
SER B 132
PRO B  88
 None
 1.45A 5z0fA-2uzxB:
undetectable
5z0fB-2uzxB:
undetectable		 5z0fA-2uzxB:
8.48
5z0fB-2uzxB:
6.62
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A  61
HIS A  85
HIS A 259
ASN A 260
HIS A 263
 CU  A 400 (-3.2A)
CU  A 400 (-3.3A)
CU  A 401 (-3.2A)
0TR  A 410 (-4.1A)
0TR  A 410 ( 3.1A)
 0.40A 5z0fA-2y9xA:
21.0
5z0fB-2y9xA:
undetectable		 5z0fA-2y9xA:
9.92
5z0fB-2y9xA:
12.86
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 HIS A  61
HIS A  94
HIS A 259
ASN A 260
HIS A 263
 CU  A 400 (-3.2A)
CU  A 400 (-3.2A)
CU  A 401 (-3.2A)
0TR  A 410 (-4.1A)
0TR  A 410 ( 3.1A)
 1.48A 5z0fA-2y9xA:
21.0
5z0fB-2y9xA:
undetectable		 5z0fA-2y9xA:
9.92
5z0fB-2y9xA:
12.86
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 HIS A 191
HIS A   7
HIS A 250
SER A 223
ASP A 258
 None
 1.27A 5z0fA-2yb4A:
undetectable
5z0fB-2yb4A:
undetectable		 5z0fA-2yb4A:
16.73
5z0fB-2yb4A:
16.44
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 HIS A 110
HIS A 229
ASN A 216
HIS A 182
HIS A 214
 FE  A 301 ( 3.2A)
ZN  A 303 ( 3.3A)
CAC  A 300 ( 4.8A)
ZN  A 303 ( 3.2A)
FE  A 302 (-3.4A)
 1.03A 5z0fA-3aalA:
undetectable
5z0fB-3aalA:
undetectable		 5z0fA-3aalA:
15.22
5z0fB-3aalA:
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 5 HIS A 681
SER A 678
HIS A 670
ASP A 686
PRO A 687
 None
 1.44A 5z0fA-3afbA:
undetectable
5z0fB-3afbA:
undetectable		 5z0fA-3afbA:
12.93
5z0fB-3afbA:
14.52
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 HIS A 217
HIS A 249
HIS A 251
HIS A 115
PRO A 409
 ZN  A 601 (-3.5A)
ZN  A 601 ( 3.4A)
None
FMT  A 607 (-4.0A)
None
 1.48A 5z0fA-3c9fA:
undetectable
5z0fB-3c9fA:
undetectable		 5z0fA-3c9fA:
10.22
5z0fB-3c9fA:
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.
3d19 CONSERVED
METALLOPROTEIN

(Bacillus cereus) 		PF11155
(DUF2935) 		5 HIS A 124
ILE A 161
HIS A 165
HIS A 255
HIS A  37
 MG  A 301 (-3.5A)
MG  A 301 ( 4.6A)
MG  A 301 (-3.4A)
FE  A 302 (-3.5A)
FE  A 302 (-3.4A)
 1.32A 5z0fA-3d19A:
undetectable
5z0fB-3d19A:
undetectable		 5z0fA-3d19A:
15.94
5z0fB-3d19A:
12.92
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.
3d19 CONSERVED
METALLOPROTEIN

(Bacillus cereus) 		PF11155
(DUF2935) 		5 HIS A 255
ILE A  33
HIS A  37
HIS A 124
HIS A 165
 FE  A 302 (-3.5A)
FE  A 302 (-4.3A)
FE  A 302 (-3.4A)
MG  A 301 (-3.5A)
MG  A 301 (-3.4A)
 1.33A 5z0fA-3d19A:
undetectable
5z0fB-3d19A:
undetectable		 5z0fA-3d19A:
15.94
5z0fB-3d19A:
12.92
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS B 209
HIS B 213
HIS B 366
ASN B 367
HIS B 370
VAL B 371
 CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
CU  B   1 (-3.3A)
None
CU  B   1 (-3.2A)
None
 0.71A 5z0fA-3hhsB:
10.0
5z0fB-3hhsB:
undetectable		 5z0fA-3hhsB:
10.02
5z0fB-3hhsB:
8.64
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS B 209
HIS B 366
ASN B 367
HIS B 370
PRO B  87
 CU  B 686 (-3.1A)
CU  B   1 (-3.3A)
None
CU  B   1 (-3.2A)
None
 1.13A 5z0fA-3hhsB:
10.0
5z0fB-3hhsB:
undetectable		 5z0fA-3hhsB:
10.02
5z0fB-3hhsB:
8.64
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 215
HIS A 219
HIS A 368
ASN A 369
HIS A 372
 CU  A 696 (-3.2A)
CU  A 696 (-3.3A)
CU  A 697 (-3.2A)
None
CU  A 697 (-3.2A)
 0.72A 5z0fA-3hhsA:
7.8
5z0fB-3hhsA:
undetectable		 5z0fA-3hhsA:
10.09
5z0fB-3hhsA:
8.97
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.
3jzv UNCHARACTERIZED
PROTEIN RRU_A2000

(Rhodospirillum
rubrum) 		PF07883
(Cupin_2) 		5 HIS A 107
ILE A 101
HIS A  73
VAL A  93
ASP A  97
 MN  A 200 (-3.6A)
None
MN  A 200 (-3.6A)
None
None
 1.43A 5z0fA-3jzvA:
undetectable
5z0fB-3jzvA:
undetectable		 5z0fA-3jzvA:
19.88
5z0fB-3jzvA:
18.67
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 506
VAL A 416
HIS A 381
ASP A 347
PRO A 346
 None
 1.34A 5z0fA-3ljpA:
undetectable
5z0fB-3ljpA:
undetectable		 5z0fA-3ljpA:
9.23
5z0fB-3ljpA:
9.94
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 HIS A 249
HIS A 217
ASN A 157
HIS A 155
VAL A 202
 HPX  A 406 (-3.4A)
FE  A 400 ( 3.4A)
PEO  A 401 ( 4.1A)
FE  A 400 ( 3.5A)
None
 1.20A 5z0fA-3lm4A:
undetectable
5z0fB-3lm4A:
undetectable		 5z0fA-3lm4A:
12.06
5z0fB-3lm4A:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 505
HIS A  94
VAL A 112
HIS A 503
ASP A 517
 CU  A 603 ( 3.3A)
CU  A 604 ( 3.1A)
None
CU  A 602 ( 3.3A)
None
 1.47A 5z0fA-3ppsA:
undetectable
5z0fB-3ppsA:
undetectable		 5z0fA-3ppsA:
9.30
5z0fB-3ppsA:
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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		5 HIS A 129
HIS A 223
ASN A   9
HIS A  74
PRO A  47
 ZN  A 301 (-3.3A)
ZN  A 302 (-3.5A)
None
ZN  A 302 (-3.4A)
None
 1.43A 5z0fA-3rpcA:
undetectable
5z0fB-3rpcA:
undetectable		 5z0fA-3rpcA:
13.30
5z0fB-3rpcA:
15.89
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		5 HIS A  10
HIS A 149
HIS A 147
HIS A 114
VAL A 113
 ZN  A 301 (-3.4A)
ZN  A 301 (-3.5A)
ZN  A 302 (-3.3A)
ZN  A 302 (-4.2A)
None
 1.21A 5z0fA-3rqzA:
undetectable
5z0fB-3rqzA:
undetectable		 5z0fA-3rqzA:
21.35
5z0fB-3rqzA:
16.80
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 1.04A 5z0fA-3ulkA:
undetectable
5z0fB-3ulkA:
undetectable		 5z0fA-3ulkA:
10.71
5z0fB-3ulkA:
10.00
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.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		5 HIS A 142
HIS A  91
HIS A 157
VAL A 131
SER A 106
 FE2  A 212 (-3.3A)
FE2  A 212 ( 3.2A)
SO4  A 215 (-4.1A)
None
None
 1.18A 5z0fA-3ussA:
undetectable
5z0fB-3ussA:
undetectable		 5z0fA-3ussA:
17.54
5z0fB-3ussA:
17.31
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.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		5 HIS A 157
HIS A  91
HIS A 142
VAL A  88
SER A 106
 SO4  A 215 (-4.1A)
FE2  A 212 ( 3.2A)
FE2  A 212 (-3.3A)
None
None
 1.32A 5z0fA-3ussA:
undetectable
5z0fB-3ussA:
undetectable		 5z0fA-3ussA:
17.54
5z0fB-3ussA:
17.31
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 199
HIS A 203
HIS A 357
ASN A 358
HIS A 361
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
CUO  A 708 (-3.3A)
None
CUO  A 708 (-3.2A)
 0.79A 5z0fA-3wkyA:
10.2
5z0fB-3wkyA:
undetectable		 5z0fA-3wkyA:
8.13
5z0fB-3wkyA:
8.28
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.
3wz1 AGARASE

(Microbulbifer
thermotolerans) 		PF00722
(Glyco_hydro_16) 		5 HIS A 169
HIS A 173
VAL A 174
ASP A 236
PRO A 237
 GOL  A 404 (-4.1A)
GOL  A 404 (-4.7A)
None
None
None
 0.85A 5z0fA-3wz1A:
undetectable
5z0fB-3wz1A:
undetectable		 5z0fA-3wz1A:
13.12
5z0fB-3wz1A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wz1 AGARASE

(Microbulbifer
thermotolerans) 		PF00722
(Glyco_hydro_16) 		5 HIS A 169
HIS A 173
VAL A 174
SER A 171
ASP A 236
 GOL  A 404 (-4.1A)
GOL  A 404 (-4.7A)
None
None
None
 1.32A 5z0fA-3wz1A:
undetectable
5z0fB-3wz1A:
undetectable		 5z0fA-3wz1A:
13.12
5z0fB-3wz1A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asm BETA-AGARASE D

(Zobellia
galactanivorans) 		no annotation 5 HIS B 179
HIS B 183
VAL B 184
SER B 181
ASP B 299
 PEG  B1361 (-4.2A)
None
None
None
None
 1.11A 5z0fA-4asmB:
undetectable
5z0fB-4asmB:
undetectable		 5z0fA-4asmB:
13.37
5z0fB-4asmB:
12.40
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 462
HIS A 491
HIS A 602
ASN A 603
HIS A 606
 CUO  A9002 (-3.2A)
CUO  A9002 (-3.4A)
CUO  A9002 (-3.4A)
None
CUO  A9002 (-3.3A)
 1.46A 5z0fA-4bedA:
20.9
5z0fB-4bedA:
undetectable		 5z0fA-4bedA:
5.49
5z0fB-4bedA:
4.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 876
HIS A 896
HIS A1015
ASN A1016
HIS A1019
 CUO  A9003 (-3.3A)
CUO  A9003 (-3.4A)
CUO  A9003 (-3.1A)
None
CUO  A9003 (-3.4A)
 1.09A 5z0fA-4bedA:
20.9
5z0fB-4bedA:
undetectable		 5z0fA-4bedA:
5.49
5z0fB-4bedA:
4.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B1705
HIS B1725
HIS B1847
ASN B1848
HIS B1851
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.1A)
CUO  B9005 (-3.2A)
None
CUO  B9005 (-3.2A)
 0.89A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.98A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2946
HIS B2974
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.49A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.49A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 HIS A1027
HIS A1252
HIS A1250
HIS A1222
VAL A1221
 MN  A1502 (-3.5A)
MN  A1502 (-3.7A)
MN  A1501 (-3.3A)
MN  A1501 (-3.6A)
None
 1.09A 5z0fA-4fbqA:
undetectable
5z0fB-4fbqA:
undetectable		 5z0fA-4fbqA:
10.02
5z0fB-4fbqA:
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 5 HIS B  27
HIS B 252
HIS B 250
HIS B 222
VAL B 221
 MN  B 501 (-3.7A)
MN  B 501 (-3.5A)
MN  B 502 ( 3.5A)
MN  B 502 (-3.6A)
None
 1.18A 5z0fA-4fcxB:
undetectable
5z0fB-4fcxB:
undetectable		 5z0fA-4fcxB:
10.22
5z0fB-4fcxB:
11.03
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 102
HIS A 110
HIS A 284
HIS A 288
SER A 302
 CU  A1001 (-3.2A)
CU  A1001 (-3.3A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
CU  A1001 ( 4.9A)
 0.66A 5z0fA-4j3qA:
27.6
5z0fB-4j3qA:
undetectable		 5z0fA-4j3qA:
27.69
5z0fB-4j3qA:
15.41
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 288
HIS A 284
HIS A 110
HIS A 102
SER A 302
 CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
CU  A1001 (-3.3A)
CU  A1001 (-3.2A)
CU  A1001 ( 4.9A)
 1.26A 5z0fA-4j3qA:
27.6
5z0fB-4j3qA:
undetectable		 5z0fA-4j3qA:
27.69
5z0fB-4j3qA:
15.41
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.
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 HIS B 144
ILE B  70
VAL B 136
SER B 132
PRO B  88
 None
 1.49A 5z0fA-4k3jB:
undetectable
5z0fB-4k3jB:
undetectable		 5z0fA-4k3jB:
10.29
5z0fB-4k3jB:
9.22
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		5 HIS A  57
ILE A 287
VAL A 176
HIS A 278
PRO A 179
 None
 1.28A 5z0fA-4nz0A:
undetectable
5z0fB-4nz0A:
undetectable		 5z0fA-4nz0A:
10.94
5z0fB-4nz0A:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 190
HIS A 132
HIS A 321
ASP A 323
PRO A 324
 ZN  A 502 (-3.5A)
None
3PE  A 503 (-3.8A)
None
None
 1.29A 5z0fA-4qn9A:
undetectable
5z0fB-4qn9A:
undetectable		 5z0fA-4qn9A:
13.05
5z0fB-4qn9A:
10.69
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		7 HIS A 223
HIS A 227
HIS A 379
ASN A 380
HIS A 383
VAL A 384
PRO A 101
 CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
CU  A 802 (-3.2A)
None
CU  A 802 (-3.2A)
None
None
 0.96A 5z0fA-4yzwA:
9.2
5z0fB-4yzwA:
undetectable		 5z0fA-4yzwA:
7.50
5z0fB-4yzwA:
8.82
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.
5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE

(Homo sapiens) 		PF05118
(Asp_Arg_Hydrox) 		5 HIS A 690
ILE A 739
HIS A 679
ASN A 618
ASP A 616
 LMR  A1760 (-3.8A)
LMR  A1760 (-4.0A)
NI  A1759 ( 3.2A)
NI  A1759 ( 4.7A)
None
 1.11A 5z0fA-5apaA:
undetectable
5z0fB-5apaA:
undetectable		 5z0fA-5apaA:
16.51
5z0fB-5apaA:
14.62
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A  87
HIS A 108
HIS A 239
ASN A 240
HIS A 243
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
 0.37A 5z0fA-5ce9A:
21.0
5z0fB-5ce9A:
undetectable		 5z0fA-5ce9A:
14.90
5z0fB-5ce9A:
14.20
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 239
HIS A 243
HIS A  87
HIS A 108
PRO A  17
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
None
 1.10A 5z0fA-5ce9A:
21.0
5z0fB-5ce9A:
undetectable		 5z0fA-5ce9A:
14.90
5z0fB-5ce9A:
14.20
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 243
HIS A 239
HIS A 108
HIS A  87
VAL A  86
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
None
 1.11A 5z0fA-5ce9A:
21.0
5z0fB-5ce9A:
undetectable		 5z0fA-5ce9A:
14.90
5z0fB-5ce9A:
14.20
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.34A 5z0fA-5ebbA:
undetectable
5z0fB-5ebbA:
undetectable		 5z0fA-5ebbA:
15.73
5z0fB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		5 HIS A 292
HIS A 149
HIS A 111
VAL A 112
PRO A  47
 ZN  A 501 (-3.4A)
ZN  A 503 (-3.8A)
GOL  A 518 (-2.7A)
None
NAG  A 508 ( 4.9A)
 1.30A 5z0fA-5fcaA:
undetectable
5z0fB-5fcaA:
undetectable		 5z0fA-5fcaA:
15.34
5z0fB-5fcaA:
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A 152
HIS A 388
HIS A 410
ASN A  18
HIS A  87
 None
A  C   1 ( 4.3A)
None
None
None
 1.39A 5z0fA-5habA:
undetectable
5z0fB-5habA:
undetectable		 5z0fA-5habA:
11.27
5z0fB-5habA:
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 HIS A 322
ILE A 367
HIS A 286
SER A 369
ASP A 189
 KCX  A 192 (-3.8A)
None
KCX  A 192 ( 3.5A)
CAP  A 500 (-3.3A)
None
 1.24A 5z0fA-5hqlA:
undetectable
5z0fB-5hqlA:
undetectable		 5z0fA-5hqlA:
9.98
5z0fB-5hqlA:
10.68
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		5 HIS A  42
HIS A  60
HIS A 204
ASN A 205
HIS A 208
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 302 ( 3.4A)
HQE  A 303 (-3.4A)
HQE  A 303 ( 3.0A)
 0.41A 5z0fA-5i3aA:
39.5
5z0fB-5i3aA:
undetectable		 5z0fA-5i3aA:
22.40
5z0fB-5i3aA:
14.49
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.
5jh1 ALDOSE REDUCTASE,
AKR4C7

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 HIS A  42
ILE A  13
VAL A 177
HIS A 198
ASP A 175
 None
 1.48A 5z0fA-5jh1A:
undetectable
5z0fB-5jh1A:
undetectable		 5z0fA-5jh1A:
13.96
5z0fB-5jh1A:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxx ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Moraxella
catarrhalis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ASN A  55
VAL A  38
SER A  18
HIS A  54
ASP A  56
 None
 1.47A 5z0fA-5jxxA:
undetectable
5z0fB-5jxxA:
undetectable		 5z0fA-5jxxA:
14.74
5z0fB-5jxxA:
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 HIS A 279
HIS A 135
HIS A  97
VAL A  98
PRO A  33
 GOL  A 515 ( 2.6A)
None
None
NAG  A 511 ( 4.0A)
NAG  A 511 ( 3.7A)
 1.37A 5z0fA-5karA:
undetectable
5z0fB-5karA:
undetectable		 5z0fA-5karA:
12.97
5z0fB-5karA:
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		5 HIS A  23
ILE A 198
HIS A 147
HIS A 227
HIS A 171
 PO4  A 503 ( 4.2A)
PO4  A 503 (-4.6A)
FEO  A 501 ( 3.4A)
FEO  A 501 ( 3.3A)
PO4  A 503 (-4.5A)
 1.37A 5z0fA-5lmcA:
undetectable
5z0fB-5lmcA:
undetectable		 5z0fA-5lmcA:
10.30
5z0fB-5lmcA:
9.03
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		6 HIS A 192
HIS A 215
HIS A 377
ASN A 378
HIS A 381
SER A 394
 ZN  A 512 ( 3.3A)
ZN  A 512 ( 3.3A)
ZN  A 511 ( 3.2A)
0TR  A 513 ( 4.4A)
ZN  A 511 ( 3.3A)
0TR  A 513 (-3.2A)
 0.42A 5z0fA-5m8tA:
28.5
5z0fB-5m8tA:
undetectable		 5z0fA-5m8tA:
9.42
5z0fB-5m8tA:
11.56
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		6 HIS A 192
HIS A 224
HIS A 377
ASN A 378
HIS A 381
SER A 394
 ZN  A 512 ( 3.3A)
ZN  A 512 (-3.5A)
ZN  A 511 ( 3.2A)
0TR  A 513 ( 4.4A)
ZN  A 511 ( 3.3A)
0TR  A 513 (-3.2A)
 1.41A 5z0fA-5m8tA:
28.5
5z0fB-5m8tA:
undetectable		 5z0fA-5m8tA:
9.42
5z0fB-5m8tA:
11.56
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		5 HIS A 381
HIS A 377
HIS A 215
HIS A 192
SER A 394
 ZN  A 511 ( 3.3A)
ZN  A 511 ( 3.2A)
ZN  A 512 ( 3.3A)
ZN  A 512 ( 3.3A)
0TR  A 513 (-3.2A)
 1.09A 5z0fA-5m8tA:
28.5
5z0fB-5m8tA:
undetectable		 5z0fA-5m8tA:
9.42
5z0fB-5m8tA:
11.56
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		5 HIS A 381
HIS A 377
HIS A 224
HIS A 192
SER A 394
 ZN  A 511 ( 3.3A)
ZN  A 511 ( 3.2A)
ZN  A 512 (-3.5A)
ZN  A 512 ( 3.3A)
0TR  A 513 (-3.2A)
 1.47A 5z0fA-5m8tA:
28.5
5z0fB-5m8tA:
undetectable		 5z0fA-5m8tA:
9.42
5z0fB-5m8tA:
11.56
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 HIS A 489
ILE A 550
HIS A 482
VAL A 481
SER A 166
 None
 1.47A 5z0fA-5nqdA:
undetectable
5z0fB-5nqdA:
undetectable		 5z0fA-5nqdA:
13.58
5z0fB-5nqdA:
19.54
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 HIS A 102
HIS A 110
HIS A 284
HIS A 288
SER A 302
 CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
None
 0.66A 5z0fA-5or4A:
26.7
5z0fB-5or4A:
undetectable		 5z0fA-5or4A:
16.25
5z0fB-5or4A:
25.30
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 HIS A 288
HIS A 284
HIS A 110
HIS A 102
SER A 302
 CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
None
 1.28A 5z0fA-5or4A:
26.7
5z0fB-5or4A:
undetectable		 5z0fA-5or4A:
16.25
5z0fB-5or4A:
25.30
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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		5 HIS A 199
ILE A 247
HIS A 132
VAL A 107
PRO A  82
 None
 1.43A 5z0fA-5uscA:
undetectable
5z0fB-5uscA:
undetectable		 5z0fA-5uscA:
12.91
5z0fB-5uscA:
11.83
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.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 5 HIS A 128
HIS A 221
ASN A   8
HIS A  72
PRO A  46
 ZN  A 301 (-3.3A)
ZN  A 302 (-3.4A)
None
ZN  A 302 (-3.3A)
None
 1.46A 5z0fA-6brmA:
undetectable
5z0fB-6brmA:
undetectable		 5z0fA-6brmA:
25.00
5z0fB-6brmA:
15.00
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.
6e0s -

(-) 		no annotation 5 HIS A 169
HIS A  96
SER A  90
HIS A  93
PRO A 137
 ZN  A 301 (-3.4A)
ZN  A 302 (-4.2A)
None
ZN  A 301 (-3.3A)
None
 1.38A 5z0fA-6e0sA:
undetectable
5z0fB-6e0sA:
undetectable		 5z0fA-6e0sA:
undetectable
5z0fB-6e0sA:
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.
6e0s -

(-) 		no annotation 5 HIS A 169
HIS A 237
HIS A  96
SER A  90
HIS A  93
 ZN  A 301 (-3.4A)
ZN  A 302 (-4.3A)
ZN  A 302 (-4.2A)
None
ZN  A 301 (-3.3A)
 1.49A 5z0fA-6e0sA:
undetectable
5z0fB-6e0sA:
undetectable		 5z0fA-6e0sA:
undetectable
5z0fB-6e0sA:
undetectable