SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZWE_B_DAHB98_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 240
HIS A 244
HIS A  88
HIS A 109
ASP A  17
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
None
 1.21A 2zweA-1bt2A:
20.9
2zweB-1bt2A:
undetectable		 2zweA-1bt2A:
26.67
2zweB-1bt2A:
17.97
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.
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)
 1.12A 2zweA-1bt2A:
20.9
2zweB-1bt2A:
undetectable		 2zweA-1bt2A:
26.67
2zweB-1bt2A:
17.97
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.
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
 1.19A 2zweA-1fwxA:
0.0
2zweB-1fwxA:
0.6		 2zweA-1fwxA:
18.57
2zweB-1fwxA:
12.25
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.
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
 0.69A 2zweA-1hcyA:
9.8
2zweB-1hcyA:
0.0		 2zweA-1hcyA:
17.45
2zweB-1hcyA:
13.48
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.
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
 1.42A 2zweA-1hmdA:
undetectable
2zweB-1hmdA:
undetectable		 2zweA-1hmdA:
14.70
2zweB-1hmdA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.39A 2zweA-1hmdA:
undetectable
2zweB-1hmdA:
undetectable		 2zweA-1hmdA:
14.70
2zweB-1hmdA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.52A 2zweA-1js8A:
23.0
2zweB-1js8A:
0.0		 2zweA-1js8A:
21.95
2zweB-1js8A:
14.39
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.
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
 1.17A 2zweA-1kcwA:
undetectable
2zweB-1kcwA:
undetectable		 2zweA-1kcwA:
14.47
2zweB-1kcwA:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2zweA-1llaA:
9.0
2zweB-1llaA:
0.0		 2zweA-1llaA:
18.35
2zweB-1llaA:
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.
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
 1.03A 2zweA-1llaA:
9.0
2zweB-1llaA:
0.0		 2zweA-1llaA:
18.35
2zweB-1llaA:
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A  41
HIS A  61
ASN A 182
HIS A 185
ASP A 341
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
None
CU  A5012 (-3.2A)
None
 1.20A 2zweA-1lnlA:
19.7
2zweB-1lnlA:
0.0		 2zweA-1lnlA:
21.83
2zweB-1lnlA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A  41
HIS A  61
HIS A 181
ASN A 182
HIS A 185
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
CU  A5012 (-3.4A)
None
CU  A5012 (-3.2A)
 0.55A 2zweA-1lnlA:
19.7
2zweB-1lnlA:
0.0		 2zweA-1lnlA:
21.83
2zweB-1lnlA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.49A 2zweA-1lnlA:
19.7
2zweB-1lnlA:
0.0		 2zweA-1lnlA:
21.83
2zweB-1lnlA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 2zweA-1lnlA:
19.7
2zweB-1lnlA:
0.0		 2zweA-1lnlA:
21.83
2zweB-1lnlA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.28A 2zweA-1m68A:
undetectable
2zweB-1m68A:
0.0		 2zweA-1m68A:
22.56
2zweB-1m68A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 2zweA-1n7dA:
undetectable
2zweB-1n7dA:
1.0		 2zweA-1n7dA:
16.08
2zweB-1n7dA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 HIS A  82
ILE A  81
HIS A 239
ASN A 193
VAL A 196
 GOL  A3005 (-3.9A)
GOL  A3005 ( 4.2A)
GOL  A3001 ( 3.9A)
None
None
 1.08A 2zweA-1q8fA:
undetectable
2zweB-1q8fA:
undetectable		 2zweA-1q8fA:
20.78
2zweB-1q8fA:
15.92
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.
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
 1.47A 2zweA-1vrpA:
undetectable
2zweB-1vrpA:
0.2		 2zweA-1vrpA:
21.34
2zweB-1vrpA:
14.96
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 2zweA-1wx4A:
50.0
2zweB-1wx4A:
undetectable		 2zweA-1wx4A:
100.00
2zweB-1wx4A:
20.49
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)
 1.00A 2zweA-1wx4A:
50.0
2zweB-1wx4A:
undetectable		 2zweA-1wx4A:
100.00
2zweB-1wx4A:
20.49
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)
 1.50A 2zweA-1wx4A:
50.0
2zweB-1wx4A:
undetectable		 2zweA-1wx4A:
100.00
2zweB-1wx4A:
20.49
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)
 1.32A 2zweA-1wx4A:
50.0
2zweB-1wx4A:
undetectable		 2zweA-1wx4A:
100.00
2zweB-1wx4A:
20.49
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)
 1.42A 2zweA-1wx4A:
50.0
2zweB-1wx4A:
undetectable		 2zweA-1wx4A:
100.00
2zweB-1wx4A:
20.49
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.
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
 1.23A 2zweA-1ys4A:
undetectable
2zweB-1ys4A:
undetectable		 2zweA-1ys4A:
21.47
2zweB-1ys4A:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.43A 2zweA-2ei0A:
undetectable
2zweB-2ei0A:
undetectable		 2zweA-2ei0A:
22.66
2zweB-2ei0A:
15.38
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.
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 2zweA-2ei0A:
undetectable
2zweB-2ei0A:
undetectable		 2zweA-2ei0A:
22.66
2zweB-2ei0A:
15.38
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.
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)
 1.25A 2zweA-2mhrA:
undetectable
2zweB-2mhrA:
undetectable		 2zweA-2mhrA:
15.41
2zweB-2mhrA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.35A 2zweA-2p3xA:
21.1
2zweB-2p3xA:
undetectable		 2zweA-2p3xA:
24.46
2zweB-2p3xA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 2zweA-2p3xA:
21.1
2zweB-2p3xA:
undetectable		 2zweA-2p3xA:
24.46
2zweB-2p3xA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 2zweA-2uzxB:
undetectable
2zweB-2uzxB:
undetectable		 2zweA-2uzxB:
18.16
2zweB-2uzxB:
9.80
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.
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)
 0.31A 2zweA-2y9xA:
20.5
2zweB-2y9xA:
undetectable		 2zweA-2y9xA:
23.56
2zweB-2y9xA:
17.66
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.
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
 1.39A 2zweA-2z23A:
undetectable
2zweB-2z23A:
undetectable		 2zweA-2z23A:
21.00
2zweB-2z23A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 2zweA-3b0hA:
undetectable
2zweB-3b0hA:
undetectable		 2zweA-3b0hA:
19.66
2zweB-3b0hA:
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.
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)
 1.33A 2zweA-3d19A:
undetectable
2zweB-3d19A:
undetectable		 2zweA-3d19A:
22.67
2zweB-3d19A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.35A 2zweA-3d19A:
undetectable
2zweB-3d19A:
undetectable		 2zweA-3d19A:
22.67
2zweB-3d19A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 2zweA-3dcpA:
undetectable
2zweB-3dcpA:
undetectable		 2zweA-3dcpA:
22.64
2zweB-3dcpA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.48A 2zweA-3e49A:
undetectable
2zweB-3e49A:
undetectable		 2zweA-3e49A:
22.16
2zweB-3e49A:
19.29
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.
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
 0.64A 2zweA-3hhsB:
9.1
2zweB-3hhsB:
undetectable		 2zweA-3hhsB:
18.02
2zweB-3hhsB:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 2zweA-3hhsB:
9.1
2zweB-3hhsB:
undetectable		 2zweA-3hhsB:
18.02
2zweB-3hhsB:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.67A 2zweA-3hhsA:
8.1
2zweB-3hhsA:
undetectable		 2zweA-3hhsA:
18.88
2zweB-3hhsA:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.70A 2zweA-3ixwA:
8.5
2zweB-3ixwA:
undetectable		 2zweA-3ixwA:
18.40
2zweB-3ixwA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.55A 2zweA-3ixwA:
8.5
2zweB-3ixwA:
undetectable		 2zweA-3ixwA:
18.40
2zweB-3ixwA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.24A 2zweA-3lm4A:
undetectable
2zweB-3lm4A:
undetectable		 2zweA-3lm4A:
22.54
2zweB-3lm4A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 2zweA-3rpcA:
undetectable
2zweB-3rpcA:
undetectable		 2zweA-3rpcA:
24.43
2zweB-3rpcA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 2zweA-3rqzA:
undetectable
2zweB-3rqzA:
undetectable		 2zweA-3rqzA:
20.68
2zweB-3rqzA:
22.86
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.
3u9j F-BOX/LRR-REPEAT
PROTEIN 5

(Homo sapiens) 		PF01814
(Hemerythrin) 		5 HIS A  57
HIS A  15
HIS A 126
HIS A  80
VAL A  79
 FE  A 201 (-3.4A)
FE  A 201 (-3.3A)
FE  A 200 (-3.5A)
FE  A 200 (-3.4A)
None
 1.42A 2zweA-3u9jA:
undetectable
2zweB-3u9jA:
undetectable		 2zweA-3u9jA:
17.07
2zweB-3u9jA:
17.68
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.
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)
 0.96A 2zweA-3ulkA:
undetectable
2zweB-3ulkA:
undetectable		 2zweA-3ulkA:
19.11
2zweB-3ulkA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		5 HIS A 142
HIS A  91
HIS A 157
VAL A 131
SER A 106
 FE2  A 212 (-3.3A)
FE2  A 212 ( 3.2A)
SO4  A 215 (-4.1A)
None
None
 1.18A 2zweA-3ussA:
undetectable
2zweB-3ussA:
undetectable		 2zweA-3ussA:
23.13
2zweB-3ussA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A  67
HIS A  94
HIS A 328
ASN A 329
HIS A 332
 None
 0.70A 2zweA-3w6qA:
18.7
2zweB-3w6qA:
undetectable		 2zweA-3w6qA:
19.06
2zweB-3w6qA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.71A 2zweA-3wkyA:
10.3
2zweB-3wkyA:
undetectable		 2zweA-3wkyA:
18.10
2zweB-3wkyA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 HIS A 313
HIS A 291
HIS A  64
HIS A  62
PRO A 131
 ZN  A1363 ( 3.4A)
PO4  A1365 (-3.8A)
ZN  A1364 ( 3.2A)
ZN  A1364 (-3.5A)
None
 1.48A 2zweA-3zwfA:
undetectable
2zweB-3zwfA:
undetectable		 2zweA-3zwfA:
21.16
2zweB-3zwfA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2zweA-3zx1A:
undetectable
2zweB-3zx1A:
undetectable		 2zweA-3zx1A:
18.82
2zweB-3zx1A:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.49A 2zweA-4bedA:
20.5
2zweB-4bedA:
undetectable		 2zweA-4bedA:
9.93
2zweB-4bedA:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.95A 2zweA-4bedA:
20.5
2zweB-4bedA:
undetectable		 2zweA-4bedA:
9.93
2zweB-4bedA:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.49A 2zweA-4bedA:
20.5
2zweB-4bedA:
undetectable		 2zweA-4bedA:
9.93
2zweB-4bedA:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.00A 2zweA-4bedA:
20.5
2zweB-4bedA:
undetectable		 2zweA-4bedA:
9.93
2zweB-4bedA:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
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)
 0.88A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
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)
 0.90A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
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)
 0.71A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
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)
 0.48A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
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
 1.06A 2zweA-4fbqA:
undetectable
2zweB-4fbqA:
undetectable		 2zweA-4fbqA:
21.36
2zweB-4fbqA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 5 HIS B  27
HIS B 252
HIS B 250
HIS B 222
VAL B 221
 MN  B 501 (-3.7A)
MN  B 501 (-3.5A)
MN  B 502 ( 3.5A)
MN  B 502 (-3.6A)
None
 1.14A 2zweA-4fcxB:
undetectable
2zweB-4fcxB:
undetectable		 2zweA-4fcxB:
22.09
2zweB-4fcxB:
14.32
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.
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)
 0.60A 2zweA-4j3qA:
27.5
2zweB-4j3qA:
undetectable		 2zweA-4j3qA:
27.42
2zweB-4j3qA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 110
HIS A 102
HIS A 288
HIS A 284
ASP A 316
 CU  A1001 (-3.3A)
CU  A1001 (-3.2A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
None
 1.47A 2zweA-4j3qA:
27.5
2zweB-4j3qA:
undetectable		 2zweA-4j3qA:
27.42
2zweB-4j3qA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 110
HIS A 119
HIS A 288
HIS A 284
VAL A 283
 CU  A1001 (-3.3A)
CU  A1001 (-3.2A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
None
 1.43A 2zweA-4j3qA:
27.5
2zweB-4j3qA:
undetectable		 2zweA-4j3qA:
27.42
2zweB-4j3qA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.29A 2zweA-4j3qA:
27.5
2zweB-4j3qA:
undetectable		 2zweA-4j3qA:
27.42
2zweB-4j3qA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A 288
HIS A 312
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)
 1.49A 2zweA-4j3qA:
27.5
2zweB-4j3qA:
undetectable		 2zweA-4j3qA:
27.42
2zweB-4j3qA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 2zweA-4k3jB:
undetectable
2zweB-4k3jB:
undetectable		 2zweA-4k3jB:
19.23
2zweB-4k3jB:
12.48
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.
4m7r ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 HIS A  99
ILE A 103
ASN A  70
VAL A  68
SER A  89
 None
 1.39A 2zweA-4m7rA:
undetectable
2zweB-4m7rA:
undetectable		 2zweA-4m7rA:
19.80
2zweB-4m7rA:
18.91
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.
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
 1.30A 2zweA-4qmaA:
undetectable
2zweB-4qmaA:
undetectable		 2zweA-4qmaA:
22.22
2zweB-4qmaA:
22.22
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.
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)
 1.21A 2zweA-4xpxA:
undetectable
2zweB-4xpxA:
undetectable		 2zweA-4xpxA:
17.65
2zweB-4xpxA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 2zweA-4yzwA:
6.2
2zweB-4yzwA:
undetectable		 2zweA-4yzwA:
17.54
2zweB-4yzwA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE

(Homo sapiens) 		PF05118
(Asp_Arg_Hydrox) 		5 HIS A 690
ILE A 739
HIS A 679
ASN A 618
ASP A 616
 LMR  A1760 (-3.8A)
LMR  A1760 (-4.0A)
NI  A1759 ( 3.2A)
NI  A1759 ( 4.7A)
None
 1.16A 2zweA-5apaA:
undetectable
2zweB-5apaA:
undetectable		 2zweA-5apaA:
21.88
2zweB-5apaA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.30A 2zweA-5ce9A:
21.0
2zweB-5ce9A:
undetectable		 2zweA-5ce9A:
22.44
2zweB-5ce9A:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 2zweA-5ce9A:
21.0
2zweB-5ce9A:
undetectable		 2zweA-5ce9A:
22.44
2zweB-5ce9A:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.34A 2zweA-5ebbA:
undetectable
2zweB-5ebbA:
undetectable		 2zweA-5ebbA:
20.24
2zweB-5ebbA:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.31A 2zweA-5fcaA:
undetectable
2zweB-5fcaA:
undetectable		 2zweA-5fcaA:
22.05
2zweB-5fcaA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.48A 2zweA-5g3fA:
undetectable
2zweB-5g3fA:
undetectable		 2zweA-5g3fA:
22.17
2zweB-5g3fA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.42A 2zweA-5habA:
undetectable
2zweB-5habA:
undetectable		 2zweA-5habA:
20.76
2zweB-5habA:
14.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		5 HIS A  60
HIS A  42
HIS A 208
HIS A 204
ASP A 235
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
HQE  A 303 ( 3.0A)
ZN  A 302 ( 3.4A)
None
 1.50A 2zweA-5i3aA:
39.4
2zweB-5i3aA:
undetectable		 2zweA-5i3aA:
43.84
2zweB-5i3aA:
18.41
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 HIS A 279
HIS A 135
HIS A  97
VAL A  98
PRO A  33
 GOL  A 515 ( 2.6A)
None
None
NAG  A 511 ( 4.0A)
NAG  A 511 ( 3.7A)
 1.37A 2zweA-5karA:
undetectable
2zweB-5karA:
undetectable		 2zweA-5karA:
19.63
2zweB-5karA:
17.04
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.
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)
 0.29A 2zweA-5m8tA:
28.6
2zweB-5m8tA:
undetectable		 2zweA-5m8tA:
22.12
2zweB-5m8tA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.48A 2zweA-5m8tA:
28.6
2zweB-5m8tA:
undetectable		 2zweA-5m8tA:
22.12
2zweB-5m8tA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.11A 2zweA-5m8tA:
28.6
2zweB-5m8tA:
undetectable		 2zweA-5m8tA:
22.12
2zweB-5m8tA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		5 HIS A 381
HIS A 404
HIS A 215
HIS A 192
SER A 394
 ZN  A 511 ( 3.3A)
ZN  A 511 (-3.1A)
ZN  A 512 ( 3.3A)
ZN  A 512 ( 3.3A)
0TR  A 513 (-3.2A)
 1.44A 2zweA-5m8tA:
28.6
2zweB-5m8tA:
undetectable		 2zweA-5m8tA:
22.12
2zweB-5m8tA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 HIS A 322
ILE A 397
HIS A 286
SER A 399
ASP A 190
 CAP  A 501 (-4.0A)
None
KCX  A 193 ( 4.3A)
CAP  A 501 (-3.2A)
None
 1.26A 2zweA-5macA:
undetectable
2zweB-5macA:
undetectable		 2zweA-5macA:
21.47
2zweB-5macA:
14.97
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.
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 2zweA-5nqdA:
undetectable
2zweB-5nqdA:
undetectable		 2zweA-5nqdA:
14.18
2zweB-5nqdA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.59A 2zweA-5or4A:
26.6
2zweB-5or4A:
undetectable		 2zweA-5or4A:
15.04
2zweB-5or4A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 HIS A 102
HIS A 110
HIS A 312
HIS A 288
SER A 302
 CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
CU  A2002 (-3.1A)
CU  A2002 (-3.2A)
None
 1.46A 2zweA-5or4A:
26.6
2zweB-5or4A:
undetectable		 2zweA-5or4A:
15.04
2zweB-5or4A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.42A 2zweA-5or4A:
26.6
2zweB-5or4A:
undetectable		 2zweA-5or4A:
15.04
2zweB-5or4A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 2zweA-6brmA:
undetectable
2zweB-6brmA:
undetectable		 2zweA-6brmA:
15.73
2zweB-6brmA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eys -

(-) 		no annotation 5 HIS B 216
HIS B 220
HIS B 375
HIS B 379
SER B 422
 None
 0.76A 2zweA-6eysB:
8.3
2zweB-6eysB:
undetectable		 2zweA-6eysB:
undetectable
2zweB-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
 1.18A 2zweA-6eysB:
8.3
2zweB-6eysB:
undetectable		 2zweA-6eysB:
undetectable
2zweB-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
 1.35A 2zweA-6eysB:
8.3
2zweB-6eysB:
undetectable		 2zweA-6eysB:
undetectable
2zweB-6eysB:
undetectable