SIMILAR PATTERNS OF AMINO ACIDS FOR 4P6S_B_DAHB305

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  88
HIS A 109
HIS A 240
HIS A 244
ARG A 245
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
None
 0.89A 4p6sB-1bt2A:
21.1		 4p6sB-1bt2A:
24.26
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A4801 (-3.0A)
CUZ  A4801 (-3.3A)
None
CUZ  A4801 (-3.2A)
 0.94A 4p6sB-1fwxA:
undetectable		 4p6sB-1fwxA:
17.47
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 194
HIS A 198
HIS A 344
ASN A 345
HIS A 348
 CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
CU  A 666 (-3.1A)
None
CU  A 666 (-3.8A)
 0.79A 4p6sB-1hcyA:
9.5		 4p6sB-1hcyA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A 344
HIS A 348
HIS A 194
HIS A 198
 CU  A 666 (-3.1A)
CU  A 666 (-3.8A)
CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
 0.89A 4p6sB-1hcyA:
9.5		 4p6sB-1hcyA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 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 4 HIS A  73
HIS A 101
HIS A  25
HIS A  54
 FEO  A 115 (-3.4A)
FEO  A 115 (-3.4A)
FEO  A 115 (-3.3A)
FEO  A 115 (-3.5A)
 0.79A 4p6sB-1hmdA:
undetectable		 4p6sB-1hmdA:
16.84
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.
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)
 0.55A 4p6sB-1js8A:
23.9		 4p6sB-1js8A:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 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 173
HIS A 177
HIS A 324
ASN A 325
HIS A 328
 CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
CU  A 630 (-3.3A)
None
CU  A 630 (-3.2A)
 0.70A 4p6sB-1llaA:
8.3		 4p6sB-1llaA:
18.11
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 324
HIS A 328
HIS A 173
HIS A 177
 CU  A 630 (-3.3A)
CU  A 630 (-3.2A)
CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
 0.73A 4p6sB-1llaA:
8.3		 4p6sB-1llaA:
18.11
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 328
HIS A 324
HIS A 177
HIS A 173
 CU  A 630 (-3.2A)
CU  A 630 (-3.3A)
CU  A 629 (-3.2A)
CU  A 629 (-3.2A)
 0.93A 4p6sB-1llaA:
8.3		 4p6sB-1llaA:
18.11
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.
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)
 0.66A 4p6sB-1lnlA:
20.4		 4p6sB-1lnlA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A  61
HIS A  41
HIS A 185
HIS A 181
 CU  A5001 (-3.6A)
CU  A5001 (-2.9A)
CU  A5012 (-3.2A)
CU  A5012 (-3.4A)
 0.99A 4p6sB-1lnlA:
20.4		 4p6sB-1lnlA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		4 HIS A 101
HIS A 131
HIS A   7
HIS A   9
 ZN  A 303 (-3.2A)
ZN  A 303 (-3.4A)
ZN  A 302 (-3.2A)
ZN  A 302 (-3.3A)
 0.78A 4p6sB-1m68A:
undetectable		 4p6sB-1m68A:
23.76
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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.94A 4p6sB-1qniA:
undetectable		 4p6sB-1qniA:
19.86
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  38
HIS A  54
HIS A 190
ASN A 191
HIS A 194
 CU  A 400 ( 3.3A)
CU  A 400 ( 3.3A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
 0.34A 4p6sB-1wx4A:
39.1		 4p6sB-1wx4A:
43.84
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 HIS A  25
HIS A 148
HIS A  86
ASN A 166
HIS A 228
 EDO  A 602 ( 2.9A)
FEO  A 501 (-2.8A)
FEO  A 501 (-3.1A)
None
FEO  A 501 ( 3.1A)
 1.30A 4p6sB-1ycgA:
undetectable		 4p6sB-1ycgA:
19.85
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.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		4 HIS A 189
HIS A 211
HIS A  59
HIS A  61
 None
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
 0.91A 4p6sB-1zkpA:
undetectable		 4p6sB-1zkpA:
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.
2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH

(Desulfovibrio
vulgaris) 		PF01814
(Hemerythrin) 		4 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.83A 4p6sB-2awcA:
undetectable		 4p6sB-2awcA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		4 HIS A  97
HIS A 404
HIS A 382
HIS A 167
 ZN  A 602 (-3.3A)
ZN  A 602 (-3.5A)
None
ZN  A 601 (-3.4A)
 0.99A 4p6sB-2az4A:
undetectable		 4p6sB-2az4A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 HIS A 248
HIS A 270
HIS A  64
HIS A  66
 None
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
 0.95A 4p6sB-2cbnA:
undetectable		 4p6sB-2cbnA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		4 HIS A  73
HIS A 106
HIS A  25
HIS A  54
 FEO  A 119 (-3.5A)
FEO  A 119 ( 3.3A)
FEO  A 119 ( 3.4A)
FEO  A 119 ( 3.3A)
 0.89A 4p6sB-2mhrA:
undetectable		 4p6sB-2mhrA:
15.97
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 HIS A  69
HIS A 109
HIS A 182
ARG A 230
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 403 (-3.5A)
None
 0.98A 4p6sB-2nq9A:
undetectable		 4p6sB-2nq9A:
20.61
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.
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)
 0.49A 4p6sB-2p3xA:
21.2		 4p6sB-2p3xA:
27.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 108
HIS A  87
HIS A 243
HIS A 239
 C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
 0.98A 4p6sB-2p3xA:
21.2		 4p6sB-2p3xA:
27.20
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 HIS A 334
HIS A 332
HIS A 456
HIS A 428
 ZN  A1566 (-3.5A)
ZN  A1566 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1567 (-3.4A)
 0.96A 4p6sB-2w9mA:
undetectable		 4p6sB-2w9mA:
19.17
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 HIS A 428
HIS A 456
HIS A 332
HIS A 334
 ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1566 (-3.4A)
ZN  A1566 (-3.5A)
 0.72A 4p6sB-2w9mA:
undetectable		 4p6sB-2w9mA:
19.17
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		6 HIS A  61
HIS A  85
HIS A 259
ASN A 260
HIS A 263
VAL A 283
 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)
0TR  A 410 (-4.0A)
 0.35A 4p6sB-2y9xA:
21.2		 4p6sB-2y9xA:
26.24
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  85
HIS A  61
HIS A 263
HIS A 259
 CU  A 400 (-3.3A)
CU  A 400 (-3.2A)
0TR  A 410 ( 3.1A)
CU  A 401 (-3.2A)
 0.98A 4p6sB-2y9xA:
21.2		 4p6sB-2y9xA:
26.24
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 HIS A 108
HIS A 154
HIS A   5
HIS A   7
 FE  A 502 (-3.5A)
FE  A 502 (-3.4A)
FE  A 503 (-3.5A)
FE  A 503 (-3.4A)
 0.86A 4p6sB-2z4gA:
undetectable		 4p6sB-2z4gA:
23.22
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		4 HIS A 110
HIS A 229
ASN A 216
HIS A 182
 FE  A 301 ( 3.2A)
ZN  A 303 ( 3.3A)
CAC  A 300 ( 4.8A)
ZN  A 303 ( 3.2A)
 0.98A 4p6sB-3aalA:
undetectable		 4p6sB-3aalA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 HIS A  69
HIS A 204
HIS A 172
ASN A 140
VAL A 106
 PO4  A 272 (-4.0A)
PO4  A 272 ( 4.4A)
MN  A 271 ( 3.4A)
None
None
 1.02A 4p6sB-3aamA:
undetectable		 4p6sB-3aamA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 HIS A 231
ASN A 176
HIS A 143
VAL A 141
 None
 0.78A 4p6sB-3bzjA:
undetectable		 4p6sB-3bzjA:
21.69
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 HIS A 231
HIS A 203
ASN A 176
HIS A 143
 None
MN  A 281 (-3.3A)
None
None
 0.89A 4p6sB-3bzjA:
undetectable		 4p6sB-3bzjA:
21.69
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 HIS A 123
HIS A 181
HIS A   6
HIS A   8
 FE  A 310 (-3.3A)
FE  A 310 (-3.5A)
FE  A 311 (-3.3A)
FE  A 311 (-3.4A)
 0.92A 4p6sB-3dcpA:
undetectable		 4p6sB-3dcpA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8z PROTEIN OF UNKNOWN
FUNCTION WITH
CYSTATIN-LIKE FOLD

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		4 HIS A  44
ASN A  37
HIS A  38
ARG A 129
 None
 0.96A 4p6sB-3g8zA:
undetectable		 4p6sB-3g8zA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS B 209
HIS B 213
HIS B 366
ASN B 367
HIS B 370
 CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
CU  B   1 (-3.3A)
None
CU  B   1 (-3.2A)
 0.71A 4p6sB-3hhsB:
9.7		 4p6sB-3hhsB:
17.91
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS B 366
HIS B 370
HIS B 209
HIS B 213
 CU  B   1 (-3.3A)
CU  B   1 (-3.2A)
CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
 0.74A 4p6sB-3hhsB:
9.7		 4p6sB-3hhsB:
17.91
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS B 370
HIS B 366
HIS B 213
HIS B 209
 CU  B   1 (-3.2A)
CU  B   1 (-3.3A)
CU  B 686 (-3.3A)
CU  B 686 (-3.1A)
 0.95A 4p6sB-3hhsB:
9.7		 4p6sB-3hhsB:
17.91
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.
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)
 0.68A 4p6sB-3hhsA:
7.3		 4p6sB-3hhsA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 368
HIS A 372
HIS A 215
HIS A 219
 CU  A 697 (-3.2A)
CU  A 697 (-3.2A)
CU  A 696 (-3.2A)
CU  A 696 (-3.3A)
 0.76A 4p6sB-3hhsA:
7.3		 4p6sB-3hhsA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 372
HIS A 368
HIS A 219
HIS A 215
 CU  A 697 (-3.2A)
CU  A 697 (-3.2A)
CU  A 696 (-3.3A)
CU  A 696 (-3.2A)
 0.94A 4p6sB-3hhsA:
7.3		 4p6sB-3hhsA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 170
HIS A 321
ASN A 322
HIS A 325
 None
 0.60A 4p6sB-3ixwA:
8.4		 4p6sB-3ixwA:
18.89
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 HIS A 494
HIS A 130
ASN A 148
HIS A 178
 CUK  A 702 (-3.3A)
CUK  A 702 (-3.2A)
None
CUK  A 702 (-3.1A)
 0.93A 4p6sB-3sbqA:
undetectable		 4p6sB-3sbqA:
18.31
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 HIS A  22
HIS A 247
HIS A 245
HIS A 217
 MN  A 412 (-3.4A)
MN  A 412 (-3.4A)
MN  A 413 (-3.4A)
MN  A 413 (-3.5A)
 0.99A 4p6sB-3t1iA:
undetectable		 4p6sB-3t1iA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9j F-BOX/LRR-REPEAT
PROTEIN 5

(Homo sapiens) 		PF01814
(Hemerythrin) 		4 HIS A  80
HIS A 126
HIS A  15
HIS A  57
 FE  A 200 (-3.4A)
FE  A 200 (-3.5A)
FE  A 201 (-3.3A)
FE  A 201 (-3.4A)
 0.75A 4p6sB-3u9jA:
undetectable		 4p6sB-3u9jA:
15.68
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A  67
HIS A  94
HIS A 328
HIS A 332
VAL A 359
 None
 0.57A 4p6sB-3w6qA:
18.8		 4p6sB-3w6qA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A  67
HIS A 328
ASN A 329
HIS A 332
VAL A 359
 None
 0.42A 4p6sB-3w6qA:
18.8		 4p6sB-3w6qA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS A 199
HIS A 203
HIS A 357
ASN A 358
HIS A 361
VAL A 384
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
CUO  A 708 (-3.3A)
None
CUO  A 708 (-3.2A)
None
 0.75A 4p6sB-3wkyA:
9.9		 4p6sB-3wkyA:
17.37
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 357
HIS A 361
HIS A 199
HIS A 203
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.2A)
CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
 0.75A 4p6sB-3wkyA:
9.9		 4p6sB-3wkyA:
17.37
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 361
HIS A 357
HIS A 203
HIS A 199
 CUO  A 708 (-3.2A)
CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
CUO  A 708 (-3.3A)
 0.99A 4p6sB-3wkyA:
9.9		 4p6sB-3wkyA:
17.37
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		4 HIS A  78
HIS A 220
ASN A 160
VAL A 117
 MN  A1002 (-3.6A)
None
None
None
 0.94A 4p6sB-3wqoA:
undetectable		 4p6sB-3wqoA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 HIS A 368
HIS A 390
HIS A  74
HIS A  76
 None
ZN  A1556 (-3.4A)
ZN  A1557 (-3.0A)
ZN  A1557 (-3.2A)
 0.98A 4p6sB-3zq4A:
undetectable		 4p6sB-3zq4A:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		4 HIS A 291
HIS A 313
HIS A  62
HIS A  64
 PO4  A1365 (-3.8A)
ZN  A1363 ( 3.4A)
ZN  A1364 (-3.5A)
ZN  A1364 ( 3.2A)
 0.94A 4p6sB-3zwfA:
undetectable		 4p6sB-3zwfA:
20.16
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A  42
HIS A  60
HIS A 179
HIS A 183
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.1A)
CUO  A9001 (-3.4A)
CUO  A9001 (-3.4A)
 0.88A 4p6sB-4bedA:
21.1		 4p6sB-4bedA:
10.28
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 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)
 0.96A 4p6sB-4bedA:
21.1		 4p6sB-4bedA:
10.28
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 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)
 1.03A 4p6sB-4bedA:
21.1		 4p6sB-4bedA:
10.28
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) 		4 HIS A1293
HIS A1311
ASN A1425
HIS A1428
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.4A)
None
CUO  A9004 (-3.4A)
 0.91A 4p6sB-4bedA:
21.1		 4p6sB-4bedA:
10.28
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) 		4 HIS A1293
HIS A1311
HIS A1424
HIS A1428
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.4A)
CUO  A9004 (-3.0A)
CUO  A9004 (-3.4A)
 0.81A 4p6sB-4bedA:
21.1		 4p6sB-4bedA:
10.28
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 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)
 0.83A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
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.
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)
 0.85A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2542
HIS B2561
HIS B2670
HIS B2674
 CUO  B9007 (-3.3A)
CUO  B9007 (-3.3A)
CUO  B9007 (-3.4A)
CUO  B9007 (-3.4A)
 0.77A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.66A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2946
HIS B3075
ASN B3076
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
 0.49A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 HIS A 109
HIS A 154
HIS A   9
HIS A  11
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 303 (-3.3A)
ZN  A 303 ( 3.3A)
 0.88A 4p6sB-4gk8A:
undetectable		 4p6sB-4gk8A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 HIS A 102
HIS A 110
HIS A 284
HIS A 288
 CU  A1001 (-3.2A)
CU  A1001 (-3.3A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
 0.47A 4p6sB-4j3qA:
29.0		 4p6sB-4j3qA:
28.73
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 HIS A 110
HIS A 284
HIS A 288
VAL A 299
 CU  A1001 (-3.3A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
None
 0.80A 4p6sB-4j3qA:
29.0		 4p6sB-4j3qA:
28.73
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		4 HIS A 294
HIS A 326
HIS A 128
HIS A 130
 G  A 402 (-3.6A)
ZN  A 404 ( 3.3A)
ZN  A 403 (-3.4A)
ZN  A 403 ( 3.2A)
 0.97A 4p6sB-4ojxA:
undetectable		 4p6sB-4ojxA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  57
HIS B  82
HIS B 251
HIS B 255
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
CU1  B 602 (-3.2A)
CU1  B 602 (-3.1A)
 0.38A 4p6sB-4ouaB:
21.0		 4p6sB-4ouaB:
20.00
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  82
HIS B  57
HIS B 255
HIS B 251
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
CU1  B 602 (-3.1A)
CU1  B 602 (-3.2A)
 0.99A 4p6sB-4ouaB:
21.0		 4p6sB-4ouaB:
20.00
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B 255
HIS B 251
HIS B  82
HIS B  57
 CU1  B 602 (-3.1A)
CU1  B 602 (-3.2A)
CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
 0.98A 4p6sB-4ouaB:
21.0		 4p6sB-4ouaB:
20.00
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  57
HIS A  82
HIS A 251
HIS A 255
 CU1  A 401 (-3.2A)
CU1  A 401 (-3.3A)
CU1  A 402 (-3.0A)
CU1  A 402 (-3.1A)
 0.37A 4p6sB-4ouaA:
20.6		 4p6sB-4ouaA:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  82
HIS A  57
HIS A 255
HIS A 251
 CU1  A 401 (-3.3A)
CU1  A 401 (-3.2A)
CU1  A 402 (-3.1A)
CU1  A 402 (-3.0A)
 0.97A 4p6sB-4ouaA:
20.6		 4p6sB-4ouaA:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A 255
HIS A 251
HIS A  82
HIS A  57
 CU1  A 402 (-3.1A)
CU1  A 402 (-3.0A)
CU1  A 401 (-3.3A)
CU1  A 401 (-3.2A)
 0.96A 4p6sB-4ouaA:
20.6		 4p6sB-4ouaA:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A  77
HIS A 117
HIS A  22
HIS A  58
 FE2  A 201 (-3.4A)
FE2  A 201 (-3.4A)
FE2  A 202 (-3.3A)
FE2  A 202 (-3.4A)
 0.85A 4p6sB-4xpxA:
undetectable		 4p6sB-4xpxA:
18.28
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 HIS A 381
HIS A 403
HIS A  84
HIS A  86
 U5P  A 606 (-3.9A)
ZN  A 602 (-3.2A)
ZN  A 601 (-3.5A)
ZN  A 601 (-3.1A)
 0.95A 4p6sB-4xwtA:
undetectable		 4p6sB-4xwtA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS A 223
HIS A 227
HIS A 379
ASN A 380
HIS A 383
VAL A 406
 CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
CU  A 802 (-3.2A)
None
CU  A 802 (-3.2A)
None
 0.69A 4p6sB-4yzwA:
8.7		 4p6sB-4yzwA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 227
HIS A 223
HIS A 383
HIS A 379
 CU  A 801 (-3.2A)
CU  A 801 (-3.0A)
CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
 0.98A 4p6sB-4yzwA:
8.7		 4p6sB-4yzwA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 379
HIS A 383
HIS A 223
HIS A 227
 CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
 0.79A 4p6sB-4yzwA:
8.7		 4p6sB-4yzwA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 383
HIS A 379
HIS A 227
HIS A 223
 CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 (-3.0A)
 0.89A 4p6sB-4yzwA:
8.7		 4p6sB-4yzwA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A  93
HIS A 116
HIS A 252
HIS A 256
ARG A 257
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
None
 1.16A 4p6sB-4z11A:
19.7		 4p6sB-4z11A:
21.66
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 HIS A 116
HIS A  93
HIS A 256
HIS A 252
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
 0.97A 4p6sB-4z11A:
19.7		 4p6sB-4z11A:
21.66
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 268
HIS A 244
HIS A 345
HIS A 326
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.7A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
 0.94A 4p6sB-4zr0A:
undetectable		 4p6sB-4zr0A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 345
HIS A 326
HIS A 268
HIS A 244
VAL A 359
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.5A)
ZN  A 402 (-3.7A)
None
 1.09A 4p6sB-4zr0A:
undetectable		 4p6sB-4zr0A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 268
HIS A 244
HIS A 345
HIS A 326
 ZN  A 402 (-3.3A)
ZN  A 402 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
 0.90A 4p6sB-4zr1A:
undetectable		 4p6sB-4zr1A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 345
HIS A 326
HIS A 268
HIS A 244
VAL A 359
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.5A)
None
 1.05A 4p6sB-4zr1A:
undetectable		 4p6sB-4zr1A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 HIS A 302
HIS A 120
HIS A 157
ARG A 158
 ZN  A 402 (-3.5A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.2A)
None
 0.99A 4p6sB-4zyoA:
undetectable		 4p6sB-4zyoA:
21.68
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.
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)
 0.45A 4p6sB-5ce9A:
21.1		 4p6sB-5ce9A:
28.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 108
HIS A  87
HIS A 243
HIS A 239
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
 0.96A 4p6sB-5ce9A:
21.1		 4p6sB-5ce9A:
28.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 HIS A  87
HIS A 410
HIS A 388
HIS A 152
 None
None
A  C   1 ( 4.3A)
None
 0.98A 4p6sB-5habA:
undetectable		 4p6sB-5habA:
20.25
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) 		6 HIS A  42
HIS A  60
HIS A 204
ASN A 205
HIS A 208
VAL A 218
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 302 ( 3.4A)
HQE  A 303 (-3.4A)
HQE  A 303 ( 3.0A)
HQE  A 303 (-3.3A)
 0.21A 4p6sB-5i3aA:
50.8		 4p6sB-5i3aA:
100.00
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) 		6 HIS A  42
HIS A  60
HIS A 204
HIS A 208
ARG A 209
VAL A 218
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 302 ( 3.4A)
HQE  A 303 ( 3.0A)
None
HQE  A 303 (-3.3A)
 1.10A 4p6sB-5i3aA:
50.8		 4p6sB-5i3aA:
100.00
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.
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
VAL A 391
 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 (-3.8A)
 0.42A 4p6sB-5m8tA:
32.4		 4p6sB-5m8tA:
25.39
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 HIS A 737
HIS A 759
HIS A 540
HIS A 542
 PO4  A 903 (-4.3A)
ZN  A 902 ( 3.2A)
ZN  A 901 (-3.4A)
ZN  A 901 ( 3.1A)
 0.98A 4p6sB-5mtzA:
undetectable		 4p6sB-5mtzA:
15.85
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 HIS A 102
HIS A 110
HIS A 284
HIS A 288
 CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
 0.44A 4p6sB-5or4A:
28.0		 4p6sB-5or4A:
16.25
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 HIS A 110
HIS A 284
HIS A 288
VAL A 299
 CU  A2001 (-3.3A)
CU  A2002 (-3.2A)
CU  A2002 (-3.2A)
None
 0.73A 4p6sB-5or4A:
28.0		 4p6sB-5or4A:
16.25
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.
5wp0 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Aliivibrio
fischeri) 		PF02540
(NAD_synthase) 		4 HIS A 120
ASN A 119
HIS A 116
VAL A 139
 None
 0.77A 4p6sB-5wp0A:
undetectable		 4p6sB-5wp0A:
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.
5yy3 -

(-) 		no annotation 4 HIS A 176
HIS A 180
HIS A 346
ASN A 347
 None
 0.84A 4p6sB-5yy3A:
7.8		 4p6sB-5yy3A:
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 4 HIS A  10
HIS A   8
HIS A 139
HIS A  84
 ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
 0.97A 4p6sB-5zb8A:
undetectable		 4p6sB-5zb8A:
14.04
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.
5zhz PROBABLE
ENDONUCLEASE 4

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 191
HIS A 165
ASN A 130
HIS A  96
 ZN  A 305 (-3.2A)
ZN  A 306 ( 3.2A)
None
ZN  A 304 ( 3.1A)
 0.96A 4p6sB-5zhzA:
undetectable		 4p6sB-5zhzA:
14.34
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.
6eys -

(-) 		no annotation 4 HIS B 216
HIS B 220
HIS B 375
HIS B 379
 None
 0.81A 4p6sB-6eysB:
8.3		 4p6sB-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 4 HIS B 375
HIS B 379
HIS B 216
HIS B 220
 None
 0.92A 4p6sB-6eysB:
8.3		 4p6sB-6eysB:
undetectable