SIMILAR PATTERNS OF AMINO ACIDS FOR 5I3B_B_HQEB303_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) 		4 HIS A  88
HIS A 109
HIS A 244
ALA A 264
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.3A)
C2O  A 500 ( 3.2A)
None
 0.46A 5i3bB-1bt2A:
21.5		 5i3bB-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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 244
HIS A 240
HIS A  88
ALA A 264
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
None
 0.92A 5i3bB-1bt2A:
21.5		 5i3bB-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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 244
HIS A 274
HIS A  88
ALA A 264
 C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
C2O  A 500 ( 3.2A)
None
 1.01A 5i3bB-1bt2A:
21.5		 5i3bB-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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 194
HIS A 198
HIS A 348
ALA A 374
 CU  A 665 (-3.0A)
CU  A 665 (-3.1A)
CU  A 666 (-3.8A)
None
 0.90A 5i3bB-1hcyA:
9.3		 5i3bB-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 348
HIS A 344
HIS A 194
ALA A 374
 CU  A 666 (-3.8A)
CU  A 666 (-3.1A)
CU  A 665 (-3.0A)
None
 1.01A 5i3bB-1hcyA:
9.3		 5i3bB-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 348
HIS A 384
HIS A 194
ALA A 374
 CU  A 666 (-3.8A)
CU  A 666 (-3.4A)
CU  A 665 (-3.0A)
None
 1.22A 5i3bB-1hcyA:
9.3		 5i3bB-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.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 HIS A 190
HIS A 274
VAL A 276
ALA A 307
 2PE  A 503 (-4.2A)
None
None
FMN  A 501 ( 4.1A)
 0.98A 5i3bB-1icpA:
undetectable		 5i3bB-1icpA:
21.47
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		4 HIS A 256
HIS A 274
VAL A 278
ALA A 255
 ZN  A 371 (-3.2A)
ZN  A 371 (-3.3A)
None
None
 1.39A 5i3bB-1jpuA:
undetectable		 5i3bB-1jpuA:
20.22
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A  41
HIS A  61
HIS A 185
ALA A 202
 CU  A5001 (-2.9A)
CU  A5001 (-3.6A)
CU  A5012 (-3.2A)
None
 0.69A 5i3bB-1lnlA:
20.6		 5i3bB-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  41
HIS A  70
HIS A 185
ALA A 202
 CU  A5001 (-2.9A)
CU  A5001 ( 3.1A)
CU  A5012 (-3.2A)
None
 1.36A 5i3bB-1lnlA:
20.6		 5i3bB-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 185
HIS A 181
HIS A  41
ALA A 202
 CU  A5012 (-3.2A)
CU  A5012 (-3.4A)
CU  A5001 (-2.9A)
None
 1.20A 5i3bB-1lnlA:
20.6		 5i3bB-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 185
HIS A 212
HIS A  41
ALA A 202
 CU  A5012 (-3.2A)
CU  A5012 (-3.1A)
CU  A5001 (-2.9A)
None
 0.97A 5i3bB-1lnlA:
20.6		 5i3bB-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.
2dwc 433AA LONG
HYPOTHETICAL
PHOSPHORIBOSYLGLYCIN
AMIDE FORMYL
TRANSFERASE

(Pyrococcus
horikoshii) 		PF02222
(ATP-grasp) 		4 HIS A 346
HIS A 243
VAL A 347
ALA A 408
 None
 1.23A 5i3bB-2dwcA:
undetectable		 5i3bB-2dwcA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 HIS A 243
HIS A 207
VAL A  13
ALA A  18
 None
ZN  A 601 (-3.4A)
None
None
 1.27A 5i3bB-2nx9A:
undetectable		 5i3bB-2nx9A:
18.34
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A  87
HIS A 108
HIS A 243
ALA A 262
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.3A)
C2O  A 340 (-3.3A)
None
 0.41A 5i3bB-2p3xA:
21.4		 5i3bB-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  87
HIS A 117
HIS A 243
ALA A 262
 C2O  A 340 (-3.2A)
C2O  A 340 (-3.5A)
C2O  A 340 (-3.3A)
None
 1.35A 5i3bB-2p3xA:
21.4		 5i3bB-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 243
HIS A 239
HIS A  87
ALA A 262
 C2O  A 340 (-3.3A)
C2O  A 340 (-3.2A)
C2O  A 340 (-3.2A)
None
 1.00A 5i3bB-2p3xA:
21.4		 5i3bB-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 243
HIS A 272
HIS A  87
ALA A 262
 C2O  A 340 (-3.3A)
C2O  A 340 (-3.1A)
C2O  A 340 (-3.2A)
None
 0.85A 5i3bB-2p3xA:
21.4		 5i3bB-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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 HIS A  14
HIS A  12
HIS A  70
VAL A  42
 ZN  A1274 ( 3.3A)
ZN  A1274 ( 3.2A)
PO4  A1275 (-3.8A)
None
 1.20A 5i3bB-2y1hA:
undetectable		 5i3bB-2y1hA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 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 263
VAL A 283
ALA A 286
 CU  A 400 (-3.2A)
CU  A 400 (-3.3A)
0TR  A 410 ( 3.1A)
0TR  A 410 (-4.0A)
0TR  A 410 (-3.6A)
 0.40A 5i3bB-2y9xA:
21.3		 5i3bB-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  61
HIS A  94
HIS A 263
ALA A 286
 CU  A 400 (-3.2A)
CU  A 400 (-3.2A)
0TR  A 410 ( 3.1A)
0TR  A 410 (-3.6A)
 1.23A 5i3bB-2y9xA:
21.3		 5i3bB-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 263
HIS A 259
HIS A  61
ALA A 286
 0TR  A 410 ( 3.1A)
CU  A 401 (-3.2A)
CU  A 400 (-3.2A)
0TR  A 410 (-3.6A)
 1.07A 5i3bB-2y9xA:
21.3		 5i3bB-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 263
HIS A 296
HIS A  61
ALA A 286
 0TR  A 410 ( 3.1A)
CU  A 401 (-3.2A)
CU  A 400 (-3.2A)
0TR  A 410 (-3.6A)
 0.86A 5i3bB-2y9xA:
21.3		 5i3bB-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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 119
HIS A  96
HIS A 107
ALA A 145
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
None
None
 1.13A 5i3bB-2zncA:
undetectable		 5i3bB-2zncA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS B 209
HIS B 213
HIS B 370
ALA B 396
 CU  B 686 (-3.1A)
CU  B 686 (-3.3A)
CU  B   1 (-3.2A)
None
 0.80A 5i3bB-3hhsB:
9.8		 5i3bB-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 406
HIS B 209
ALA B 396
 CU  B   1 (-3.2A)
CU  B   1 (-3.1A)
CU  B 686 (-3.1A)
None
 0.97A 5i3bB-3hhsB:
9.8		 5i3bB-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.
3hl0 MALEYLACETATE
REDUCTASE

(Agrobacterium
fabrum) 		PF00465
(Fe-ADH) 		4 HIS A 253
HIS A 257
HIS A 174
ALA A 120
 NAD  A 402 (-3.6A)
None
None
NAD  A 402 (-3.5A)
 1.35A 5i3bB-3hl0A:
undetectable		 5i3bB-3hl0A:
19.26
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 HIS A 256
HIS A 260
HIS A 177
ALA A 123
 NAD  A 400 (-3.6A)
None
None
NAD  A 400 (-3.5A)
 1.34A 5i3bB-3jzdA:
undetectable		 5i3bB-3jzdA:
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		4 HIS A 198
HIS A 123
VAL A 102
ALA A 193
 None
 1.14A 5i3bB-3ktdA:
undetectable		 5i3bB-3ktdA:
21.86
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		4 HIS A 228
HIS A  59
VAL A  58
ALA A 302
 None
ZN  A 429 (-3.4A)
None
None
 1.36A 5i3bB-3mpgA:
undetectable		 5i3bB-3mpgA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		4 HIS A  71
HIS A 167
HIS A 110
ALA A  68
 UNL  A 350 ( 4.1A)
UNL  A 350 ( 4.4A)
UNL  A 350 ( 4.3A)
None
 1.16A 5i3bB-3no4A:
undetectable		 5i3bB-3no4A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rzu STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		4 HIS A 335
HIS A 337
VAL A 366
ALA A 364
 ZN  A   1 (-3.5A)
ZN  A   1 (-3.4A)
None
None
 1.23A 5i3bB-3rzuA:
undetectable		 5i3bB-3rzuA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rzv STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		4 HIS A 335
HIS A 337
VAL A 366
ALA A 364
 ZN  A   1 (-3.3A)
ZN  A   1 (-3.3A)
None
None
 1.23A 5i3bB-3rzvA:
undetectable		 5i3bB-3rzvA:
20.55
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 HIS A 276
HIS A 281
VAL A 237
ALA A 259
 None
 1.32A 5i3bB-3u0bA:
undetectable		 5i3bB-3u0bA:
23.11
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 HIS A  67
HIS A  94
HIS A 332
VAL A 359
ALA A 362
 None
 0.40A 5i3bB-3w6qA:
19.0		 5i3bB-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) 		4 HIS A  67
HIS A 103
HIS A 332
ALA A 362
 None
 1.33A 5i3bB-3w6qA:
19.0		 5i3bB-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) 		4 HIS A 332
HIS A 328
HIS A  67
ALA A 362
 None
 1.12A 5i3bB-3w6qA:
19.0		 5i3bB-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) 		4 HIS A 332
HIS A 372
HIS A  67
ALA A 362
 None
 0.83A 5i3bB-3w6qA:
19.0		 5i3bB-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) 		5 HIS A 199
HIS A 203
HIS A 361
VAL A 384
ALA A 387
 CUO  A 708 (-3.3A)
CUO  A 708 (-3.5A)
CUO  A 708 (-3.2A)
None
None
 0.76A 5i3bB-3wkyA:
9.9		 5i3bB-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 397
HIS A 199
ALA A 387
 CUO  A 708 (-3.2A)
CUO  A 708 (-3.4A)
CUO  A 708 (-3.3A)
None
 0.97A 5i3bB-3wkyA:
9.9		 5i3bB-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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A1293
HIS A1311
HIS A1428
ALA A1445
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.4A)
CUO  A9004 (-3.4A)
None
 0.45A 5i3bB-4bedA:
21.2		 5i3bB-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 A1320
HIS A1428
ALA A1445
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.5A)
CUO  A9004 (-3.4A)
None
 1.22A 5i3bB-4bedA:
21.2		 5i3bB-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 A1428
HIS A1424
HIS A1293
ALA A1445
 CUO  A9004 (-3.4A)
CUO  A9004 (-3.0A)
CUO  A9004 (-3.2A)
None
 1.05A 5i3bB-4bedA:
21.2		 5i3bB-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 A1428
HIS A1455
HIS A1293
ALA A1445
 CUO  A9004 (-3.4A)
CUO  A9004 (-3.3A)
CUO  A9004 (-3.2A)
None
 0.92A 5i3bB-4bedA:
21.2		 5i3bB-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 B1705
HIS B1725
HIS B1851
ALA B1868
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.1A)
CUO  B9005 (-3.2A)
None
 0.44A 5i3bB-4bedB:
23.8		 5i3bB-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 B1705
HIS B1734
HIS B1851
ALA B1868
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.4A)
CUO  B9005 (-3.2A)
None
 1.39A 5i3bB-4bedB:
23.8		 5i3bB-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 B1851
HIS B1847
HIS B1705
ALA B1868
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.2A)
CUO  B9005 (-3.2A)
None
 1.03A 5i3bB-4bedB:
23.8		 5i3bB-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 B1851
HIS B1878
HIS B1705
ALA B1868
 CUO  B9005 (-3.2A)
CUO  B9005 (-3.3A)
CUO  B9005 (-3.2A)
None
 1.06A 5i3bB-4bedB:
23.8		 5i3bB-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 B2122
HIS B2141
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
 0.51A 5i3bB-4bedB:
23.8		 5i3bB-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 B2122
HIS B2150
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
None
 1.32A 5i3bB-4bedB:
23.8		 5i3bB-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 B2264
HIS B2260
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
 1.06A 5i3bB-4bedB:
23.8		 5i3bB-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 B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.93A 5i3bB-4bedB:
23.8		 5i3bB-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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  86
HIS A 296
VAL A 295
ALA A 293
 None
None
None
NAD  A1407 (-3.6A)
 1.23A 5i3bB-4cpdA:
undetectable		 5i3bB-4cpdA:
22.76
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.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 HIS A  33
HIS A  31
VAL A  74
ALA A  76
 None
 1.28A 5i3bB-4diaA:
undetectable		 5i3bB-4diaA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4do7 AMIDOHYDROLASE 2

(Burkholderia
multivorans) 		PF04909
(Amidohydro_2) 		4 HIS A  11
HIS A   9
VAL A  54
ALA A  56
 ZN  A 401 (-3.3A)
ZN  A 401 (-4.2A)
None
None
 1.28A 5i3bB-4do7A:
undetectable		 5i3bB-4do7A:
22.52
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.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		4 HIS A 165
HIS A 181
VAL A 185
ALA A 148
 None
 1.29A 5i3bB-4dppA:
undetectable		 5i3bB-4dppA:
21.89
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.
4g2r ACCD6,
CARBOXYLTRANSFERASE
BETA-SUBUNIT OF
ACYL-COA CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		4 HIS A 402
HIS A 425
VAL A 398
ALA A 397
 None
 1.35A 5i3bB-4g2rA:
undetectable		 5i3bB-4g2rA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		4 HIS A 127
HIS A 143
VAL A 147
ALA A 110
 None
 1.29A 5i3bB-4hnnA:
undetectable		 5i3bB-4hnnA:
19.44
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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 4 HIS A 560
HIS A 543
VAL A 552
ALA A 555
 None
 0.86A 5i3bB-4lc9A:
undetectable		 5i3bB-4lc9A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		4 HIS A 254
HIS A 271
VAL A 275
ALA A 253
 ZN  A1000 (-3.1A)
ZN  A1000 ( 3.3A)
None
None
 1.39A 5i3bB-4mcaA:
undetectable		 5i3bB-4mcaA:
20.22
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.
4ols ENDOLYSIN

(Staphylococcus
virus G15) 		PF01510
(Amidase_2) 		4 HIS A 264
HIS A 214
VAL A 212
ALA A 279
 None
ZN  A 501 (-3.2A)
None
None
 1.16A 5i3bB-4olsA:
undetectable		 5i3bB-4olsA:
20.68
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  57
HIS B  82
HIS B 255
ALA B 273
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.1A)
CU1  B 602 (-3.1A)
None
 0.39A 5i3bB-4ouaB:
21.3		 5i3bB-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  57
HIS B  91
HIS B 255
ALA B 273
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.2A)
CU1  B 602 (-3.1A)
None
 1.33A 5i3bB-4ouaB:
21.3		 5i3bB-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  57
ALA B 273
 CU1  B 602 (-3.1A)
CU1  B 602 (-3.2A)
CU1  B 601 (-3.1A)
None
 1.03A 5i3bB-4ouaB:
21.3		 5i3bB-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 283
HIS B  57
ALA B 273
 CU1  B 602 (-3.1A)
CU1  B 602 (-3.0A)
CU1  B 601 (-3.1A)
None
 0.90A 5i3bB-4ouaB:
21.3		 5i3bB-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 255
ALA A 273
 CU1  A 401 (-3.2A)
CU1  A 401 (-3.3A)
CU1  A 402 (-3.1A)
None
 0.41A 5i3bB-4ouaA:
20.9		 5i3bB-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  57
HIS A  91
HIS A 255
ALA A 273
 CU1  A 401 (-3.2A)
CU1  A 401 (-3.3A)
CU1  A 402 (-3.1A)
None
 1.28A 5i3bB-4ouaA:
20.9		 5i3bB-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  57
ALA A 273
 CU1  A 402 (-3.1A)
CU1  A 402 (-3.0A)
CU1  A 401 (-3.2A)
None
 1.02A 5i3bB-4ouaA:
20.9		 5i3bB-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 283
HIS A  57
ALA A 273
 CU1  A 402 (-3.1A)
CU1  A 402 (-2.9A)
CU1  A 401 (-3.2A)
None
 0.81A 5i3bB-4ouaA:
20.9		 5i3bB-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.
4s1v D-3-PHOSPHOGLYCERATE
DEHYDROGENASE-RELATE
D PROTEIN

(Vibrio cholerae) 		no annotation 4 HIS D 312
HIS D  25
VAL D 308
ALA D 311
 None
 1.12A 5i3bB-4s1vD:
undetectable		 5i3bB-4s1vD:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tm5 D-AMINO ACID
AMINOTRANSFERASE

(Burkholderia
thailandensis) 		PF01063
(Aminotran_4) 		4 HIS A 178
HIS A 182
VAL A 152
ALA A 154
 None
 1.13A 5i3bB-4tm5A:
undetectable		 5i3bB-4tm5A:
21.36
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) 		5 HIS A 223
HIS A 227
HIS A 383
VAL A 406
ALA A 409
 CU  A 801 (-3.0A)
CU  A 801 (-3.2A)
CU  A 802 (-3.2A)
None
None
 0.72A 5i3bB-4yzwA:
9.0		 5i3bB-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 223
ALA A 409
 CU  A 802 (-3.2A)
CU  A 802 (-3.2A)
CU  A 801 (-3.0A)
None
 0.99A 5i3bB-4yzwA:
9.0		 5i3bB-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 419
HIS A 223
ALA A 409
 CU  A 802 (-3.2A)
CU  A 802 (-3.1A)
CU  A 801 (-3.0A)
None
 0.97A 5i3bB-4yzwA:
9.0		 5i3bB-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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A  93
HIS A 116
HIS A 256
ALA A 276
 CU  A 700 (-3.1A)
CU  A 700 (-3.2A)
HS8  A 252 ( 3.6A)
None
 0.49A 5i3bB-4z0zA:
21.1		 5i3bB-4z0zA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 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  93
HIS A 116
HIS A 256
ALA A 276
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
CU  A 701 (-3.1A)
None
 0.40A 5i3bB-4z11A:
19.8		 5i3bB-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 256
HIS A 252
HIS A  93
ALA A 276
 CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
CU  A 700 (-3.2A)
None
 0.97A 5i3bB-4z11A:
19.8		 5i3bB-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 256
HIS A 286
HIS A  93
ALA A 276
 CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
CU  A 700 (-3.2A)
None
 0.99A 5i3bB-4z11A:
19.8		 5i3bB-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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 325
HIS C 224
HIS C 141
ALA C 368
 None
NI  C 601 (-4.7A)
NI  C 602 (-3.7A)
NI  C 602 ( 4.8A)
 1.19A 5i3bB-4z42C:
undetectable		 5i3bB-4z42C:
20.08
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 325
HIS C 251
HIS C 141
ALA C 368
 None
NI  C 601 (-3.3A)
NI  C 602 (-3.7A)
NI  C 602 ( 4.8A)
 0.96A 5i3bB-4z42C:
undetectable		 5i3bB-4z42C:
20.08
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 345
HIS A 326
HIS A 244
VAL A 359
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.7A)
None
 1.03A 5i3bB-4zr0A:
undetectable		 5i3bB-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 345
HIS A 326
HIS A 244
VAL A 359
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 402 (-3.5A)
None
 1.04A 5i3bB-4zr1A:
undetectable		 5i3bB-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.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		4 HIS A 366
HIS A 370
HIS A 504
VAL A 413
 None
 1.39A 5i3bB-5bq9A:
undetectable		 5i3bB-5bq9A:
19.27
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.
5bu1 LPG1496

(Legionella
pneumophila) 		PF12252
(SidE) 		4 HIS A 366
HIS A 370
HIS A 504
VAL A 413
 None
 1.38A 5i3bB-5bu1A:
undetectable		 5i3bB-5bu1A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A  87
HIS A 108
HIS A 243
ALA A 263
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
None
 0.37A 5i3bB-5ce9A:
21.3		 5i3bB-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  87
HIS A 117
HIS A 243
ALA A 263
 CU  A 402 ( 3.2A)
CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
None
 1.38A 5i3bB-5ce9A:
21.3		 5i3bB-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 243
HIS A 239
HIS A  87
ALA A 263
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 402 ( 3.2A)
None
 1.06A 5i3bB-5ce9A:
21.3		 5i3bB-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 243
HIS A 273
HIS A  87
ALA A 263
 CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
CU  A 402 ( 3.2A)
None
 0.90A 5i3bB-5ce9A:
21.3		 5i3bB-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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 HIS A 136
HIS A 288
HIS A 256
ALA A 234
 None
 1.04A 5i3bB-5gxdA:
undetectable		 5i3bB-5gxdA:
19.21
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  42
HIS A  60
HIS A 208
VAL A 218
ALA A 221
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
HQE  A 303 ( 3.0A)
HQE  A 303 (-3.3A)
HQE  A 303 (-3.3A)
 0.18A 5i3bB-5i3aA:
52.2		 5i3bB-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) 		4 HIS A 208
HIS A 231
HIS A  42
ALA A 221
 HQE  A 303 ( 3.0A)
ZN  A 302 (-3.1A)
ZN  A 301 ( 3.2A)
HQE  A 303 (-3.3A)
 0.71A 5i3bB-5i3aA:
52.2		 5i3bB-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.
5k8d COAGULATION FACTOR
VIII
COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS B1957
HIS A  99
VAL A 101
ALA B1974
 None
 1.15A 5i3bB-5k8dB:
undetectable		 5i3bB-5k8dB:
15.06
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 HIS A 542
HIS A 564
VAL A 519
ALA A 517
 None
 1.38A 5i3bB-5lp4A:
undetectable		 5i3bB-5lp4A:
18.23
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 HIS A 192
HIS A 215
HIS A 381
VAL A 391
 ZN  A 512 ( 3.3A)
ZN  A 512 ( 3.3A)
ZN  A 511 ( 3.3A)
0TR  A 513 (-3.8A)
 0.39A 5i3bB-5m8tA:
32.7		 5i3bB-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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 HIS A 160
HIS A 103
HIS A1014
ALA A 165
 CU  A1104 (-3.6A)
CU  A1104 ( 3.5A)
CU  A1101 (-3.2A)
None
 1.23A 5i3bB-5n4lA:
undetectable		 5i3bB-5n4lA:
14.74
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 HIS A 162
HIS A 974
HIS A1016
ALA A 165
 CU  A1101 (-3.3A)
CU  A1101 ( 3.2A)
CU  A1104 (-3.1A)
None
 1.38A 5i3bB-5n4lA:
undetectable		 5i3bB-5n4lA:
14.74
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT
14

(Homo sapiens) 		PF00004
(AAA) 		4 HIS c 113
HIS c 115
VAL c 144
ALA c 142
 None
 1.06A 5i3bB-5vhic:
undetectable		 5i3bB-5vhic:
20.69
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 4 HIS A 119
HIS A  96
HIS A 107
ALA A 145
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
None
None
 1.18A 5i3bB-6fe1A:
undetectable		 5i3bB-6fe1A:
15.55
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.
6fno -

(-) 		no annotation 4 HIS A  83
HIS A  85
VAL A 114
ALA A 112
 ZN  A 201 (-3.2A)
ZN  A 201 (-3.2A)
None
None
 1.21A 5i3bB-6fnoA:
undetectable		 5i3bB-6fnoA:
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.
6g96 ACETYLTRANSFERASE

(Salmonella
enterica) 		no annotation 4 HIS B  15
HIS B   7
VAL B  48
ALA B   9
 None
 1.31A 5i3bB-6g96B:
undetectable		 5i3bB-6g96B:
14.29