SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z0M_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
 1.32A 5z0mA-1bt2A:
20.9
5z0mB-1bt2A:
undetectable		 5z0mA-1bt2A:
13.38
5z0mB-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
 1.26A 5z0mA-1fwxA:
0.0
5z0mB-1fwxA:
0.6		 5z0mA-1fwxA:
9.77
5z0mB-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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 ILE A  95
HIS A 316
VAL A 284
SER A 153
HIS A  62
 None
None
None
None
ZN  A1453 ( 3.3A)
 1.37A 5z0mA-1gkrA:
undetectable
5z0mB-1gkrA:
0.0		 5z0mA-1gkrA:
11.14
5z0mB-1gkrA:
12.38
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.
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
 0.85A 5z0mA-1hcyA:
9.7
5z0mB-1hcyA:
0.0		 5z0mA-1hcyA:
9.89
5z0mB-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  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)
 1.34A 5z0mA-1hmdA:
undetectable
5z0mB-1hmdA:
undetectable		 5z0mA-1hmdA:
19.83
5z0mB-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)
 0.51A 5z0mA-1js8A:
23.0
5z0mB-1js8A:
0.0		 5z0mA-1js8A:
12.50
5z0mB-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)
 1.32A 5z0mA-1js8A:
23.0
5z0mB-1js8A:
0.0		 5z0mA-1js8A:
12.50
5z0mB-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
 1.29A 5z0mA-1kcwA:
undetectable
5z0mB-1kcwA:
0.0		 5z0mA-1kcwA:
6.34
5z0mB-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
 1.04A 5z0mA-1llaA:
9.1
5z0mB-1llaA:
0.0		 5z0mA-1llaA:
10.20
5z0mB-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 324
HIS A 204
HIS A 173
VAL A 347
ASP A 357
 CU  A 630 (-3.3A)
CU  A 629 (-3.1A)
CU  A 629 (-3.2A)
None
None
 1.36A 5z0mA-1llaA:
9.1
5z0mB-1llaA:
0.0		 5z0mA-1llaA:
10.20
5z0mB-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
 1.04A 5z0mA-1llaA:
9.1
5z0mB-1llaA:
0.0		 5z0mA-1llaA:
10.20
5z0mB-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
 1.30A 5z0mA-1lnlA:
19.7
5z0mB-1lnlA:
0.0		 5z0mA-1lnlA:
12.69
5z0mB-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)
 1.31A 5z0mA-1lnlA:
19.7
5z0mB-1lnlA:
0.0		 5z0mA-1lnlA:
12.69
5z0mB-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
 1.36A 5z0mA-1lnlA:
19.7
5z0mB-1lnlA:
0.0		 5z0mA-1lnlA:
12.69
5z0mB-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)
 1.24A 5z0mA-1m68A:
undetectable
5z0mB-1m68A:
0.0		 5z0mA-1m68A:
15.66
5z0mB-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
 1.24A 5z0mA-1n7dA:
undetectable
5z0mB-1n7dA:
undetectable		 5z0mA-1n7dA:
8.32
5z0mB-1n7dA:
6.29
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) 		6 HIS A  38
HIS A  63
HIS A 190
HIS A 194
VAL A 195
SER A 206
 CU  A 400 ( 3.3A)
CU  A 400 ( 3.5A)
CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
None
PER  A 409 ( 4.1A)
 1.49A 5z0mA-1wx4A:
49.7
5z0mB-1wx4A:
undetectable		 5z0mA-1wx4A:
98.75
5z0mB-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) 		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)
 0.25A 5z0mA-1wx4A:
49.7
5z0mB-1wx4A:
undetectable		 5z0mA-1wx4A:
98.75
5z0mB-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)
 0.93A 5z0mA-1wx4A:
49.7
5z0mB-1wx4A:
undetectable		 5z0mA-1wx4A:
98.75
5z0mB-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)
 1.36A 5z0mA-1wx4A:
49.7
5z0mB-1wx4A:
undetectable		 5z0mA-1wx4A:
98.75
5z0mB-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)
 1.48A 5z0mA-1wx4A:
49.7
5z0mB-1wx4A:
undetectable		 5z0mA-1wx4A:
98.75
5z0mB-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
 1.16A 5z0mA-1ys4A:
undetectable
5z0mB-1ys4A:
undetectable		 5z0mA-1ys4A:
11.85
5z0mB-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)
 1.26A 5z0mA-2ei0A:
undetectable
5z0mB-2ei0A:
undetectable		 5z0mA-2ei0A:
15.23
5z0mB-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 5z0mA-2ei0A:
undetectable
5z0mB-2ei0A:
undetectable		 5z0mA-2ei0A:
15.23
5z0mB-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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 HIS A  99
ILE A 150
HIS A  97
HIS A 301
PRO A 213
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.3A)
None
None
 1.26A 5z0mA-2imrA:
undetectable
5z0mB-2imrA:
undetectable		 5z0mA-2imrA:
12.71
5z0mB-2imrA:
12.76
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.
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)
 0.44A 5z0mA-2p3xA:
21.1
5z0mB-2p3xA:
undetectable		 5z0mA-2p3xA:
13.58
5z0mB-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.
2pny ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE
2

(Homo sapiens) 		PF00293
(NUDIX) 		5 HIS A 136
HIS A  40
HIS A  51
VAL A  23
HIS A 147
 None
MN  A 229 (-3.3A)
MN  A 229 (-3.3A)
None
None
 1.49A 5z0mA-2pnyA:
undetectable
5z0mB-2pnyA:
undetectable		 5z0mA-2pnyA:
15.04
5z0mB-2pnyA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 HIS A  40
ILE A  24
HIS A 103
ASN A  71
VAL A  73
 None
 1.14A 5z0mA-2rauA:
undetectable
5z0mB-2rauA:
0.0		 5z0mA-2rauA:
14.56
5z0mB-2rauA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.43A 5z0mA-2uzxB:
undetectable
5z0mB-2uzxB:
undetectable		 5z0mA-2uzxB:
8.63
5z0mB-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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 244
ILE A 330
HIS A 242
HIS A 604
HIS A 580
 ZN  A1638 (-3.0A)
None
ZN  A1638 (-3.2A)
ZN  A1639 (-3.3A)
None
 1.48A 5z0mA-2xr1A:
undetectable
5z0mB-2xr1A:
undetectable		 5z0mA-2xr1A:
8.12
5z0mB-2xr1A:
8.92
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.
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)
 0.49A 5z0mA-2y9xA:
20.5
5z0mB-2y9xA:
undetectable		 5z0mA-2y9xA:
11.68
5z0mB-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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 459
HIS A 461
HIS A 134
VAL A  91
HIS A  94
 C2O  A 702 (-3.4A)
C2O  A 702 (-3.5A)
C2O  A 702 (-3.3A)
None
C2O  A 702 ( 3.2A)
 1.44A 5z0mA-3aw5A:
undetectable
5z0mB-3aw5A:
undetectable		 5z0mA-3aw5A:
13.55
5z0mB-3aw5A:
10.49
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.
3cit SENSOR HISTIDINE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 HIS A  80
ASN A 133
VAL A 113
HIS A  62
PRO A 111
 None
GOL  A 176 (-3.2A)
None
None
None
 1.47A 5z0mA-3citA:
undetectable
5z0mB-3citA:
undetectable		 5z0mA-3citA:
21.25
5z0mB-3citA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.27A 5z0mA-3d19A:
undetectable
5z0mB-3d19A:
undetectable		 5z0mA-3d19A:
15.94
5z0mB-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)
 1.27A 5z0mA-3d19A:
undetectable
5z0mB-3d19A:
undetectable		 5z0mA-3d19A:
15.94
5z0mB-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
 1.24A 5z0mA-3dcpA:
undetectable
5z0mB-3dcpA:
undetectable		 5z0mA-3dcpA:
15.19
5z0mB-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.
3eqe PUTATIVE CYSTEIN
DIOXYGENASE

(Bacillus
subtilis) 		PF05995
(CDO_I) 		5 HIS A 139
ILE A  64
HIS A  77
HIS A 125
VAL A  74
 None
None
FE  A 202 (-3.6A)
FE  A 202 (-3.5A)
None
 1.46A 5z0mA-3eqeA:
undetectable
5z0mB-3eqeA:
undetectable		 5z0mA-3eqeA:
19.21
5z0mB-3eqeA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 HIS A 224
HIS A  59
HIS A  57
HIS A 196
PRO A 131
 None
ZN  A 256 (-3.2A)
ZN  A 256 (-3.5A)
None
None
 1.47A 5z0mA-3h3eA:
undetectable
5z0mB-3h3eA:
undetectable		 5z0mA-3h3eA:
14.61
5z0mB-3h3eA:
12.41
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.
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
 0.76A 5z0mA-3hhsB:
10.1
5z0mB-3hhsB:
undetectable		 5z0mA-3hhsB:
9.84
5z0mB-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
 1.37A 5z0mA-3hhsB:
10.1
5z0mB-3hhsB:
undetectable		 5z0mA-3hhsB:
9.84
5z0mB-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)
 0.82A 5z0mA-3hhsA:
8.1
5z0mB-3hhsA:
undetectable		 5z0mA-3hhsA:
10.09
5z0mB-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
SER A 351
 None
 0.79A 5z0mA-3ixwA:
8.3
5z0mB-3ixwA:
undetectable		 5z0mA-3ixwA:
10.89
5z0mB-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
 1.25A 5z0mA-3lm4A:
undetectable
5z0mB-3lm4A:
undetectable		 5z0mA-3lm4A:
12.06
5z0mB-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.
3q2v CADHERIN-1

(Mus musculus) 		PF00028
(Cadherin) 		5 HIS A 299
ASN A 263
VAL A 261
ASP A 264
PRO A 265
 MAN  A 804 ( 4.3A)
None
None
None
None
 1.11A 5z0mA-3q2vA:
undetectable
5z0mB-3q2vA:
undetectable		 5z0mA-3q2vA:
9.70
5z0mB-3q2vA:
10.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 5 HIS A 130
HIS A 178
HIS A 326
HIS A 382
HIS A 494
 CUK  A 702 (-3.2A)
CUK  A 702 (-3.1A)
CUK  A 702 (-3.1A)
CUK  A 702 ( 3.3A)
CUK  A 702 (-3.3A)
 1.14A 5z0mA-3sbqA:
undetectable
5z0mB-3sbqA:
undetectable		 5z0mA-3sbqA:
8.46
5z0mB-3sbqA:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5z0mA-3ulkA:
undetectable
5z0mB-3ulkA:
undetectable		 5z0mA-3ulkA:
10.71
5z0mB-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 5z0mA-3ussA:
undetectable
5z0mB-3ussA:
undetectable		 5z0mA-3ussA:
17.54
5z0mB-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
 1.30A 5z0mA-3v7pA:
undetectable
5z0mB-3v7pA:
undetectable		 5z0mA-3v7pA:
10.45
5z0mB-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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A  67
HIS A  94
HIS A 328
ASN A 329
HIS A 332
 None
 0.77A 5z0mA-3w6qA:
18.5
5z0mB-3w6qA:
undetectable		 5z0mA-3w6qA:
7.29
5z0mB-3w6qA:
8.29
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.
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)
 0.81A 5z0mA-3wkyA:
10.4
5z0mB-3wkyA:
undetectable		 5z0mA-3wkyA:
8.43
5z0mB-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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 357
HIS A 226
HIS A 199
VAL A 380
ASP A 390
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.3A)
CUO  A 708 (-3.3A)
None
None
 1.39A 5z0mA-3wkyA:
10.4
5z0mB-3wkyA:
undetectable		 5z0mA-3wkyA:
8.43
5z0mB-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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A  42
HIS A  60
HIS A 179
ASN A 180
HIS A 183
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.1A)
CUO  A9001 (-3.4A)
None
CUO  A9001 (-3.4A)
 1.06A 5z0mA-4bedA:
20.4
5z0mB-4bedA:
undetectable		 5z0mA-4bedA:
5.15
5z0mB-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  42
HIS A  69
HIS A 179
ASN A 180
HIS A 183
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.1A)
CUO  A9001 (-3.4A)
None
CUO  A9001 (-3.4A)
 1.31A 5z0mA-4bedA:
20.4
5z0mB-4bedA:
undetectable		 5z0mA-4bedA:
5.15
5z0mB-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 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)
 1.07A 5z0mA-4bedA:
20.4
5z0mB-4bedA:
undetectable		 5z0mA-4bedA:
5.15
5z0mB-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)
 1.31A 5z0mA-4bedA:
20.4
5z0mB-4bedA:
undetectable		 5z0mA-4bedA:
5.15
5z0mB-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)
 0.88A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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 B1705
HIS B1734
HIS B1847
ASN B1848
HIS B1851
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.4A)
CUO  B9005 (-3.2A)
None
CUO  B9005 (-3.2A)
 1.37A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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 B2542
HIS B2561
HIS B2670
ASN B2671
HIS B2674
 CUO  B9007 (-3.3A)
CUO  B9007 (-3.3A)
CUO  B9007 (-3.4A)
None
CUO  B9007 (-3.4A)
 0.92A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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 B2542
HIS B2570
HIS B2670
ASN B2671
HIS B2674
 CUO  B9007 (-3.3A)
CUO  B9007 (-3.3A)
CUO  B9007 (-3.4A)
None
CUO  B9007 (-3.4A)
 1.38A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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)
 0.75A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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) 		6 HIS B2946
HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.28A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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 B3079
HIS B3075
HIS B2974
HIS B2946
SER B3096
 CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.1A)
CUO  B9008 ( 4.7A)
 1.39A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-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.
4gga CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 HIS A 267
HIS A 301
VAL A 302
SER A 266
ASP A 294
 None
 1.39A 5z0mA-4ggaA:
undetectable
5z0mB-4ggaA:
1.3		 5z0mA-4ggaA:
10.86
5z0mB-4ggaA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5z0mA-4j3qA:
27.6
5z0mB-4j3qA:
undetectable		 5z0mA-4j3qA:
26.92
5z0mB-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 102
HIS A 119
HIS A 284
HIS A 288
SER A 302
 CU  A1001 (-3.2A)
CU  A1001 (-3.2A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
CU  A1001 ( 4.9A)
 1.47A 5z0mA-4j3qA:
27.6
5z0mB-4j3qA:
undetectable		 5z0mA-4j3qA:
26.92
5z0mB-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)
 1.17A 5z0mA-4j3qA:
27.6
5z0mB-4j3qA:
undetectable		 5z0mA-4j3qA:
26.92
5z0mB-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
 1.47A 5z0mA-4k3jB:
undetectable
5z0mB-4k3jB:
0.0		 5z0mA-4k3jB:
10.10
5z0mB-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.
4n14 CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 HIS A 267
HIS A 301
VAL A 302
SER A 266
ASP A 294
 None
 1.37A 5z0mA-4n14A:
undetectable
5z0mB-4n14A:
undetectable		 5z0mA-4n14A:
13.49
5z0mB-4n14A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 5z0mA-4nz0A:
undetectable
5z0mB-4nz0A:
undetectable		 5z0mA-4nz0A:
10.94
5z0mB-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
 1.29A 5z0mA-4qmaA:
undetectable
5z0mB-4qmaA:
undetectable		 5z0mA-4qmaA:
17.87
5z0mB-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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  86
ILE A 155
HIS A  84
HIS A 381
ASP A 179
 ZN  A 601 (-3.1A)
None
ZN  A 601 (-3.5A)
U5P  A 606 (-3.9A)
None
 1.47A 5z0mA-4xwtA:
undetectable
5z0mB-4xwtA:
undetectable		 5z0mA-4xwtA:
9.66
5z0mB-4xwtA:
9.12
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.
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
 1.00A 5z0mA-4yzwA:
9.2
5z0mB-4yzwA:
undetectable		 5z0mA-4yzwA:
7.50
5z0mB-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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 379
HIS A 252
HIS A 223
VAL A 402
ASP A 412
 CU  A 802 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 (-3.0A)
None
None
 1.37A 5z0mA-4yzwA:
9.2
5z0mB-4yzwA:
undetectable		 5z0mA-4yzwA:
7.50
5z0mB-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)
 0.35A 5z0mA-5ce9A:
21.0
5z0mB-5ce9A:
undetectable		 5z0mA-5ce9A:
14.90
5z0mB-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)
 1.40A 5z0mA-5ebbA:
undetectable
5z0mB-5ebbA:
undetectable		 5z0mA-5ebbA:
15.73
5z0mB-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
ASP A  46
PRO A  47
 ZN  A 501 (-3.4A)
ZN  A 503 (-3.8A)
GOL  A 518 (-2.7A)
None
NAG  A 508 ( 4.9A)
 1.18A 5z0mA-5fcaA:
undetectable
5z0mB-5fcaA:
undetectable		 5z0mA-5fcaA:
15.34
5z0mB-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.
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)
 1.37A 5z0mA-5fcaA:
undetectable
5z0mB-5fcaA:
undetectable		 5z0mA-5fcaA:
15.34
5z0mB-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.
5fnp IRON-SULFUR CLUSTER
REPAIR PROTEIN YTFE

(Escherichia
coli) 		PF01814
(Hemerythrin)
PF04405
(ScdA_N) 		5 HIS A 204
ILE A  79
HIS A  84
HIS A 129
HIS A 160
 ZN  A1222 ( 3.3A)
ZN  A1222 ( 4.9A)
ZN  A1222 ( 3.3A)
ZN  A1221 ( 3.2A)
ZN  A1221 (-3.3A)
 1.36A 5z0mA-5fnpA:
undetectable
5z0mB-5fnpA:
undetectable		 5z0mA-5fnpA:
20.75
5z0mB-5fnpA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5z0mA-5habA:
undetectable
5z0mB-5habA:
undetectable		 5z0mA-5habA:
9.96
5z0mB-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.
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
 1.42A 5z0mA-5jh1A:
undetectable
5z0mB-5jh1A:
undetectable		 5z0mA-5jh1A:
13.96
5z0mB-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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 HIS A 279
HIS A 135
HIS A  97
ASP A  32
PRO A  33
 GOL  A 515 ( 2.6A)
None
None
NAG  A 511 ( 4.7A)
NAG  A 511 ( 3.7A)
 1.26A 5z0mA-5karA:
undetectable
5z0mB-5karA:
undetectable		 5z0mA-5karA:
12.72
5z0mB-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.
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)
 1.42A 5z0mA-5karA:
undetectable
5z0mB-5karA:
undetectable		 5z0mA-5karA:
12.72
5z0mB-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)
 0.43A 5z0mA-5m8tA:
28.5
5z0mB-5m8tA:
undetectable		 5z0mA-5m8tA:
9.19
5z0mB-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 192
HIS A 224
HIS A 377
HIS A 381
SER A 394
 ZN  A 512 ( 3.3A)
ZN  A 512 (-3.5A)
ZN  A 511 ( 3.2A)
ZN  A 511 ( 3.3A)
0TR  A 513 (-3.2A)
 1.28A 5z0mA-5m8tA:
28.5
5z0mB-5m8tA:
undetectable		 5z0mA-5m8tA:
9.19
5z0mB-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)
 1.04A 5z0mA-5m8tA:
28.5
5z0mB-5m8tA:
undetectable		 5z0mA-5m8tA:
9.19
5z0mB-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)
 1.36A 5z0mA-5m8tA:
28.5
5z0mB-5m8tA:
undetectable		 5z0mA-5m8tA:
9.19
5z0mB-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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 HIS A 545
HIS A 759
HIS A 737
HIS A 670
PRO A 702
 ZN  A 902 (-3.4A)
ZN  A 902 ( 3.2A)
PO4  A 903 (-4.3A)
ZN  A 901 ( 3.5A)
None
 1.35A 5z0mA-5mtzA:
undetectable
5z0mB-5mtzA:
undetectable		 5z0mA-5mtzA:
6.40
5z0mB-5mtzA:
5.92
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.
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
 0.69A 5z0mA-5or4A:
26.7
5z0mB-5or4A:
undetectable		 5z0mA-5or4A:
16.25
5z0mB-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 102
HIS A 119
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
 1.47A 5z0mA-5or4A:
26.7
5z0mB-5or4A:
undetectable		 5z0mA-5or4A:
16.25
5z0mB-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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A  47
HIS A  45
VAL A  76
SER A 139
PRO A  53
 None
 1.50A 5z0mA-5xynA:
undetectable
5z0mB-5xynA:
undetectable		 5z0mA-5xynA:
16.88
5z0mB-5xynA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.49A 5z0mA-6brmA:
undetectable
5z0mB-6brmA:
undetectable		 5z0mA-6brmA:
25.00
5z0mB-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.
6eys -

(-) 		no annotation 5 HIS B 216
HIS B 220
HIS B 375
HIS B 379
SER B 422
 None
 0.90A 5z0mA-6eysB:
8.3
5z0mB-6eysB:
0.5		 5z0mA-6eysB:
undetectable
5z0mB-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
 1.16A 5z0mA-6eysB:
8.3
5z0mB-6eysB:
0.5		 5z0mA-6eysB:
undetectable
5z0mB-6eysB:
undetectable