SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z0I_B_DAHB98_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 5z0iA-1bt2A:
20.9
5z0iB-1bt2A:
undetectable		 5z0iA-1bt2A:
13.04
5z0iB-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
 1.23A 5z0iA-1bt2A:
20.9
5z0iB-1bt2A:
undetectable		 5z0iA-1bt2A:
13.04
5z0iB-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)
 1.10A 5z0iA-1bt2A:
20.9
5z0iB-1bt2A:
undetectable		 5z0iA-1bt2A:
13.04
5z0iB-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
 1.20A 5z0iA-1fwxA:
undetectable
5z0iB-1fwxA:
0.9		 5z0iA-1fwxA:
9.59
5z0iB-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
 0.76A 5z0iA-1hcyA:
9.7
5z0iB-1hcyA:
0.0		 5z0iA-1hcyA:
9.38
5z0iB-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
 1.47A 5z0iA-1hmdA:
undetectable
5z0iB-1hmdA:
undetectable		 5z0iA-1hmdA:
20.69
5z0iB-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 5z0iA-1hmdA:
undetectable
5z0iB-1hmdA:
undetectable		 5z0iA-1hmdA:
20.69
5z0iB-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)
 1.36A 5z0iA-1hmdA:
undetectable
5z0iB-1hmdA:
undetectable		 5z0iA-1hmdA:
20.69
5z0iB-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)
 0.54A 5z0iA-1js8A:
23.0
5z0iB-1js8A:
0.0		 5z0iA-1js8A:
9.57
5z0iB-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)
 1.47A 5z0iA-1js8A:
23.0
5z0iB-1js8A:
0.0		 5z0iA-1js8A:
9.57
5z0iB-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
 1.18A 5z0iA-1kcwA:
undetectable
5z0iB-1kcwA:
0.0		 5z0iA-1kcwA:
6.24
5z0iB-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) 		8 HIS A 173
HIS A 177
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 629 (-3.2A)
CU  A 630 (-3.3A)
None
CU  A 630 (-3.2A)
CL  A 632 ( 3.7A)
None
None
 0.96A 5z0iA-1llaA:
9.0
5z0iB-1llaA:
0.0		 5z0iA-1llaA:
10.39
5z0iB-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 5z0iA-1llaA:
9.0
5z0iB-1llaA:
0.0		 5z0iA-1llaA:
10.39
5z0iB-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) 		6 HIS A  41
HIS A  61
HIS A 181
ASN A 182
HIS A 185
ASP A 341
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
CU  A5012 (-3.4A)
None
CU  A5012 (-3.2A)
None
 1.22A 5z0iA-1lnlA:
19.7
5z0iB-1lnlA:
undetectable		 5z0iA-1lnlA:
13.20
5z0iB-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  70
HIS A 181
ASN A 182
HIS A 185
 CU  A5001 (-2.9A)
CU  A5001 ( 3.1A)
CU  A5012 (-3.4A)
None
CU  A5012 (-3.2A)
 1.45A 5z0iA-1lnlA:
19.7
5z0iB-1lnlA:
undetectable		 5z0iA-1lnlA:
13.20
5z0iB-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  61
HIS A  41
HIS A 185
HIS A 181
ASP A 216
 CU  A5001 (-3.6A)
CU  A5001 (-2.9A)
CU  A5012 (-3.2A)
CU  A5012 (-3.4A)
None
 1.35A 5z0iA-1lnlA:
19.7
5z0iB-1lnlA:
undetectable		 5z0iA-1lnlA:
13.20
5z0iB-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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 HIS A   7
ILE A  97
HIS A 101
ASN A  75
HIS A  40
 ZN  A 302 (-3.2A)
None
ZN  A 303 (-3.2A)
None
ZN  A 301 (-3.2A)
 1.26A 5z0iA-1m68A:
undetectable
5z0iB-1m68A:
undetectable		 5z0iA-1m68A:
15.42
5z0iB-1m68A:
16.74
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.
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
 1.22A 5z0iA-1n7dA:
undetectable
5z0iB-1n7dA:
1.1		 5z0iA-1n7dA:
8.32
5z0iB-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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 HIS A   4
ILE A   5
VAL A 269
SER A 325
ASP A 294
 None
 1.34A 5z0iA-1u1hA:
0.0
5z0iB-1u1hA:
undetectable		 5z0iA-1u1hA:
7.21
5z0iB-1u1hA:
7.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.49A 5z0iA-1vk1A:
undetectable
5z0iB-1vk1A:
undetectable		 5z0iA-1vk1A:
14.46
5z0iB-1vk1A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrp CREATINE KINASE, M
CHAIN

(Tetronarce
californica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ILE A 333
HIS A 296
VAL A 361
ASP A 122
PRO A 123
 None
ADP  A 400 (-3.6A)
None
None
None
 1.43A 5z0iA-1vrpA:
undetectable
5z0iB-1vrpA:
undetectable		 5z0iA-1vrpA:
13.17
5z0iB-1vrpA:
10.53
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)
 0.30A 5z0iA-1wx4A:
49.9
5z0iB-1wx4A:
undetectable		 5z0iA-1wx4A:
100.00
5z0iB-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)
 0.96A 5z0iA-1wx4A:
49.9
5z0iB-1wx4A:
undetectable		 5z0iA-1wx4A:
100.00
5z0iB-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)
 1.45A 5z0iA-1wx4A:
49.9
5z0iB-1wx4A:
undetectable		 5z0iA-1wx4A:
100.00
5z0iB-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)
 1.39A 5z0iA-1wx4A:
49.9
5z0iB-1wx4A:
undetectable		 5z0iA-1wx4A:
100.00
5z0iB-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)
 1.47A 5z0iA-1wx4A:
49.9
5z0iB-1wx4A:
undetectable		 5z0iA-1wx4A:
100.00
5z0iB-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.
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
 1.25A 5z0iA-1ys4A:
undetectable
5z0iB-1ys4A:
undetectable		 5z0iA-1ys4A:
11.85
5z0iB-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.
2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH

(Desulfovibrio
vulgaris) 		PF01814
(Hemerythrin) 		5 HIS A  59
ILE A  19
HIS A  23
HIS A 118
HIS A  82
 FEO  A 137 (-3.4A)
None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
 1.39A 5z0iA-2awcA:
undetectable
5z0iB-2awcA:
undetectable		 5z0iA-2awcA:
20.00
5z0iB-2awcA:
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 ILE A 280
HIS A 328
ASN A 332
SER A 259
PRO A 368
 None
 1.47A 5z0iA-2d0vA:
undetectable
5z0iB-2d0vA:
undetectable		 5z0iA-2d0vA:
11.18
5z0iB-2d0vA:
9.91
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.
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)
 1.37A 5z0iA-2ei0A:
undetectable
5z0iB-2ei0A:
undetectable		 5z0iA-2ei0A:
15.23
5z0iB-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)
 1.33A 5z0iA-2ei0A:
undetectable
5z0iB-2ei0A:
undetectable		 5z0iA-2ei0A:
15.23
5z0iB-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
ILE A  28
HIS A  54
HIS A  77
HIS A 106
 FEO  A 119 ( 3.4A)
AZI  A 120 (-4.6A)
FEO  A 119 ( 3.3A)
FEO  A 119 (-3.3A)
FEO  A 119 ( 3.3A)
 1.21A 5z0iA-2mhrA:
undetectable
5z0iB-2mhrA:
undetectable		 5z0iA-2mhrA:
16.80
5z0iB-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)
 0.36A 5z0iA-2p3xA:
21.1
5z0iB-2p3xA:
undetectable		 5z0iA-2p3xA:
14.51
5z0iB-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 5z0iA-2p3xA:
21.1
5z0iB-2p3xA:
undetectable		 5z0iA-2p3xA:
14.51
5z0iB-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 5z0iA-2p3xA:
21.1
5z0iB-2p3xA:
undetectable		 5z0iA-2p3xA:
14.51
5z0iB-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
 1.41A 5z0iA-2uzxB:
undetectable
5z0iB-2uzxB:
undetectable		 5z0iA-2uzxB:
8.48
5z0iB-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)
 0.37A 5z0iA-2y9xA:
20.5
5z0iB-2y9xA:
undetectable		 5z0iA-2y9xA:
9.92
5z0iB-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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 HIS A 508
ASN A  50
VAL A  48
SER A 165
HIS A 161
 None
 1.42A 5z0iA-2z23A:
undetectable
5z0iB-2z23A:
undetectable		 5z0iA-2z23A:
16.23
5z0iB-2z23A:
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.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 HIS A 238
ILE A 519
ASN A 437
HIS A 478
PRO A 474
 None
 1.41A 5z0iA-3b0hA:
undetectable
5z0iB-3b0hA:
undetectable		 5z0iA-3b0hA:
9.50
5z0iB-3b0hA:
8.66
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.
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)
 1.31A 5z0iA-3d19A:
undetectable
5z0iB-3d19A:
undetectable		 5z0iA-3d19A:
15.94
5z0iB-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)
 1.32A 5z0iA-3d19A:
undetectable
5z0iB-3d19A:
undetectable		 5z0iA-3d19A:
15.94
5z0iB-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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A 123
HIS A 181
HIS A   6
HIS A   8
ASP A 264
 FE  A 310 (-3.3A)
FE  A 310 (-3.5A)
FE  A 311 (-3.3A)
FE  A 311 (-3.4A)
None
 1.17A 5z0iA-3dcpA:
undetectable
5z0iB-3dcpA:
undetectable		 5z0iA-3dcpA:
14.81
5z0iB-3dcpA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 ILE A  17
HIS A  49
HIS A  51
HIS A  18
PRO A  27
 None
ZN  A 500 (-3.3A)
ZN  A 500 (-3.4A)
None
None
 1.46A 5z0iA-3e49A:
undetectable
5z0iB-3e49A:
undetectable		 5z0iA-3e49A:
14.98
5z0iB-3e49A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.69A 5z0iA-3hhsB:
10.1
5z0iB-3hhsB:
undetectable		 5z0iA-3hhsB:
10.02
5z0iB-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
 1.10A 5z0iA-3hhsB:
10.1
5z0iB-3hhsB:
undetectable		 5z0iA-3hhsB:
10.02
5z0iB-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 366
HIS B 239
HIS B 209
VAL B 389
ASP B 399
 CU  B   1 (-3.3A)
CU  B 686 (-3.1A)
CU  B 686 (-3.1A)
None
None
 1.46A 5z0iA-3hhsB:
10.1
5z0iB-3hhsB:
undetectable		 5z0iA-3hhsB:
10.02
5z0iB-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)
 0.71A 5z0iA-3hhsA:
8.1
5z0iB-3hhsA:
undetectable		 5z0iA-3hhsA:
10.09
5z0iB-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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 170
HIS A 321
ASN A 322
HIS A 325
VAL A 326
 None
 0.58A 5z0iA-3ixwA:
8.4
5z0iB-3ixwA:
undetectable		 5z0iA-3ixwA:
11.09
5z0iB-3ixwA:
9.34
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.
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
 1.21A 5z0iA-3lm4A:
undetectable
5z0iB-3lm4A:
undetectable		 5z0iA-3lm4A:
12.06
5z0iB-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.
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
 1.40A 5z0iA-3rpcA:
undetectable
5z0iB-3rpcA:
undetectable		 5z0iA-3rpcA:
13.30
5z0iB-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
 1.23A 5z0iA-3rqzA:
undetectable
5z0iB-3rqzA:
undetectable		 5z0iA-3rqzA:
21.35
5z0iB-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)
 0.97A 5z0iA-3ulkA:
undetectable
5z0iB-3ulkA:
undetectable		 5z0iA-3ulkA:
10.71
5z0iB-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
 1.14A 5z0iA-3ussA:
undetectable
5z0iB-3ussA:
undetectable		 5z0iA-3ussA:
17.54
5z0iB-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 5z0iA-3ussA:
undetectable
5z0iB-3ussA:
undetectable		 5z0iA-3ussA:
17.54
5z0iB-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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
ILE A 119
HIS A  61
HIS A 257
PRO A 181
 FE  A 429 (-3.2A)
None
FE  A 429 (-3.2A)
None
None
 1.50A 5z0iA-3v7pA:
undetectable
5z0iB-3v7pA:
undetectable		 5z0iA-3v7pA:
10.45
5z0iB-3v7pA:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.76A 5z0iA-3wkyA:
10.5
5z0iB-3wkyA:
undetectable		 5z0iA-3wkyA:
8.13
5z0iB-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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 436
HIS A 500
HIS A 439
SER A 435
PRO A 307
 None
CU  A 601 (-3.1A)
CU  A 601 (-3.1A)
None
None
 1.16A 5z0iA-3zx1A:
undetectable
5z0iB-3zx1A:
undetectable		 5z0iA-3zx1A:
12.11
5z0iB-3zx1A:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 462
HIS A 482
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)
 1.02A 5z0iA-4bedA:
20.5
5z0iB-4bedA:
undetectable		 5z0iA-4bedA:
5.49
5z0iB-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 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)
 1.44A 5z0iA-4bedA:
20.5
5z0iB-4bedA:
undetectable		 5z0iA-4bedA:
5.49
5z0iB-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)
 1.06A 5z0iA-4bedA:
20.5
5z0iB-4bedA:
undetectable		 5z0iA-4bedA:
5.49
5z0iB-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)
 0.85A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-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)
 0.94A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-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 B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.78A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-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)
 1.46A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-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)
 0.47A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-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
 1.11A 5z0iA-4fbqA:
undetectable
5z0iB-4fbqA:
undetectable		 5z0iA-4fbqA:
10.02
5z0iB-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.
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)
 0.64A 5z0iA-4j3qA:
27.7
5z0iB-4j3qA:
undetectable		 5z0iA-4j3qA:
27.69
5z0iB-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)
 1.25A 5z0iA-4j3qA:
27.7
5z0iB-4j3qA:
undetectable		 5z0iA-4j3qA:
27.69
5z0iB-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
 1.45A 5z0iA-4k3jB:
undetectable
5z0iB-4k3jB:
1.7		 5z0iA-4k3jB:
10.29
5z0iB-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
 1.41A 5z0iA-4nz0A:
undetectable
5z0iB-4nz0A:
undetectable		 5z0iA-4nz0A:
10.94
5z0iB-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.
4qma CYSTEINE DIOXYGENASE
TYPE I

(Cupriavidus
pinatubonensis) 		PF05995
(CDO_I) 		5 HIS A 147
HIS A  96
HIS A 162
VAL A 136
SER A 111
 FE  A 301 (-3.3A)
FE  A 301 ( 3.3A)
None
None
None
 1.27A 5z0iA-4qmaA:
undetectable
5z0iB-4qmaA:
undetectable		 5z0iA-4qmaA:
19.32
5z0iB-4qmaA:
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 HIS A  22
ILE A  25
HIS A  58
HIS A  81
HIS A 117
 FE2  A 202 (-3.3A)
None
FE2  A 202 (-3.4A)
FE2  A 201 (-3.4A)
FE2  A 201 (-3.4A)
 1.15A 5z0iA-4xpxA:
undetectable
5z0iB-4xpxA:
undetectable		 5z0iA-4xpxA:
16.41
5z0iB-4xpxA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 5z0iA-4yzwA:
9.1
5z0iB-4yzwA:
undetectable		 5z0iA-4yzwA:
7.50
5z0iB-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.
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)
 0.32A 5z0iA-5ce9A:
21.0
5z0iB-5ce9A:
undetectable		 5z0iA-5ce9A:
14.90
5z0iB-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 108
HIS A  87
HIS A 243
HIS A 239
ASP A 277
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
None
 1.48A 5z0iA-5ce9A:
21.0
5z0iB-5ce9A:
undetectable		 5z0iA-5ce9A:
14.90
5z0iB-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
 1.12A 5z0iA-5ce9A:
21.0
5z0iB-5ce9A:
undetectable		 5z0iA-5ce9A:
14.90
5z0iB-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
 1.12A 5z0iA-5ce9A:
21.0
5z0iB-5ce9A:
undetectable		 5z0iA-5ce9A:
14.90
5z0iB-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)
 1.37A 5z0iA-5ebbA:
undetectable
5z0iB-5ebbA:
0.0		 5z0iA-5ebbA:
15.73
5z0iB-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)
 1.34A 5z0iA-5fcaA:
undetectable
5z0iB-5fcaA:
undetectable		 5z0iA-5fcaA:
15.34
5z0iB-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.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 446
HIS A 135
HIS A 137
HIS A 398
VAL A 399
 CU  A1465 (-3.3A)
CU  A1465 (-3.2A)
CU  A1463 (-3.3A)
CU  A1463 (-2.9A)
None
 1.50A 5z0iA-5g3fA:
undetectable
5z0iB-5g3fA:
undetectable		 5z0iA-5g3fA:
11.14
5z0iB-5g3fA:
10.93
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.
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 5z0iA-5habA:
undetectable
5z0iB-5habA:
undetectable		 5z0iA-5habA:
11.27
5z0iB-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.
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)
 1.39A 5z0iA-5karA:
undetectable
5z0iB-5karA:
undetectable		 5z0iA-5karA:
12.97
5z0iB-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.
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)
 0.38A 5z0iA-5m8tA:
28.6
5z0iB-5m8tA:
undetectable		 5z0iA-5m8tA:
9.42
5z0iB-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 5z0iA-5m8tA:
28.6
5z0iB-5m8tA:
undetectable		 5z0iA-5m8tA:
9.42
5z0iB-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 215
HIS A 192
HIS A 381
HIS A 377
ASP A 408
 ZN  A 512 ( 3.3A)
ZN  A 512 ( 3.3A)
ZN  A 511 ( 3.3A)
ZN  A 511 ( 3.2A)
None
 1.43A 5z0iA-5m8tA:
28.6
5z0iB-5m8tA:
undetectable		 5z0iA-5m8tA:
9.42
5z0iB-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)
 1.08A 5z0iA-5m8tA:
28.6
5z0iB-5m8tA:
undetectable		 5z0iA-5m8tA:
9.42
5z0iB-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)
 1.46A 5z0iA-5m8tA:
28.6
5z0iB-5m8tA:
undetectable		 5z0iA-5m8tA:
9.42
5z0iB-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
 1.49A 5z0iA-5nqdA:
undetectable
5z0iB-5nqdA:
undetectable		 5z0iA-5nqdA:
13.58
5z0iB-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
 0.63A 5z0iA-5or4A:
26.8
5z0iB-5or4A:
undetectable		 5z0iA-5or4A:
16.25
5z0iB-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 110
HIS A 119
HIS A 288
HIS A 284
VAL A 283
 CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
None
 1.49A 5z0iA-5or4A:
26.8
5z0iB-5or4A:
undetectable		 5z0iA-5or4A:
16.25
5z0iB-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
 1.27A 5z0iA-5or4A:
26.8
5z0iB-5or4A:
undetectable		 5z0iA-5or4A:
16.25
5z0iB-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.
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
 1.42A 5z0iA-6brmA:
undetectable
5z0iB-6brmA:
undetectable		 5z0iA-6brmA:
25.00
5z0iB-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.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Acinetobacter
baumannii) 		no annotation 5 HIS A  26
ILE A  79
SER A  52
ASP A  92
PRO A  93
 None
 1.50A 5z0iA-6cauA:
undetectable
5z0iB-6cauA:
0.5		 5z0iA-6cauA:
19.39
5z0iB-6cauA:
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.
6eys -

(-) 		no annotation 5 HIS B 216
HIS B 220
HIS B 375
HIS B 379
SER B 422
 None
 0.82A 5z0iA-6eysB:
8.4
5z0iB-6eysB:
undetectable		 5z0iA-6eysB:
undetectable
5z0iB-6eysB:
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.
6eys -

(-) 		no annotation 5 HIS B 220
HIS B 379
HIS B 432
HIS B 423
PRO B 426
 None
 1.40A 5z0iA-6eysB:
8.4
5z0iB-6eysB:
undetectable		 5z0iA-6eysB:
undetectable
5z0iB-6eysB:
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.
6eys -

(-) 		no annotation 5 HIS B 379
HIS B 375
HIS B 220
HIS B 216
SER B 422
 None
 1.17A 5z0iA-6eysB:
8.4
5z0iB-6eysB:
undetectable		 5z0iA-6eysB:
undetectable
5z0iB-6eysB:
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.
6eys -

(-) 		no annotation 5 HIS B 432
ILE B 435
HIS B 375
HIS B 220
ASP B 266
 None
 1.32A 5z0iA-6eysB:
8.4
5z0iB-6eysB:
undetectable		 5z0iA-6eysB:
undetectable
5z0iB-6eysB:
undetectable