SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYS_A_CUA601

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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 HIS A 624
HIS A 456
HIS A 458
 CU  A   1 (-3.1A)
CU  A   1 (-3.3A)
CU  A   1 (-3.2A)
 0.48A 2dysA-1a2vA:
undetectable		 2dysA-1a2vA:
20.44
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.
1do5 HUMAN COPPER
CHAPERONE FOR
SUPEROXIDE DISMUTASE
DOMAIN II

(Homo sapiens) 		PF00080
(Sod_Cu) 		3 HIS A 130
HIS A 147
HIS A 132
 None
ZN  A  28 (-3.1A)
None
 0.72A 2dysA-1do5A:
undetectable		 2dysA-1do5A:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		3 HIS A 233
HIS A 282
HIS A 283
 CU  A 803 (-3.1A)
HAS  A 801 ( 3.3A)
CU  A 803 ( 3.2A)
 0.14A 2dysA-1ehkA:
35.9		 2dysA-1ehkA:
28.26
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		3 HIS A  44
HIS A  61
HIS A  46
 CU  A 502 (-3.3A)
ZN  A 501 ( 3.2A)
CU  A 502 (-3.2A)
 0.59A 2dysA-1eqwA:
undetectable		 2dysA-1eqwA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		3 HIS A  44
HIS A  61
HIS A  46
 CU  A 150 ( 3.2A)
ZN  A 149 ( 3.2A)
CU  A 150 ( 3.3A)
 0.56A 2dysA-1esoA:
undetectable		 2dysA-1esoA:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fft UBIQUINOL OXIDASE

(Escherichia
coli) 		PF00115
(COX1) 		3 HIS A 284
HIS A 333
HIS A 334
 CU  A1003 (-3.3A)
CU  A1003 ( 3.4A)
CU  A1003 ( 3.4A)
 0.37A 2dysA-1fftA:
49.5		 2dysA-1fftA:
33.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6x AUTOINDUCER-2
PRODUCTION PROTEIN
LUXS

(Helicobacter
pylori) 		PF02664
(LuxS) 		3 HIS A  59
HIS A 128
HIS A  55
 ZN  A 161 (-3.4A)
ZN  A 161 ( 4.9A)
ZN  A 161 (-3.2A)
 0.72A 2dysA-1j6xA:
undetectable		 2dysA-1j6xA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jhw MACROPHAGE CAPPING
PROTEIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 HIS A  60
HIS A  95
HIS A  62
 None
 0.48A 2dysA-1jhwA:
undetectable		 2dysA-1jhwA:
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 HIS A 603
HIS A 442
HIS A 444
 CU  A 650 ( 3.2A)
CU  A 650 ( 3.3A)
CU  A 650 ( 3.3A)
 0.50A 2dysA-1ksiA:
undetectable		 2dysA-1ksiA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzg SUFE PROTEIN

(Escherichia
coli) 		PF02657
(SufE) 		3 HIS A 142
HIS A 144
HIS A 145
 None
 0.59A 2dysA-1mzgA:
0.0		 2dysA-1mzgA:
14.23
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.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		3 HIS A  45
HIS A  70
HIS A  47
 CU  A 153 (-3.0A)
ZN  A 152 ( 3.1A)
CU  A 153 (-3.1A)
 0.60A 2dysA-1oalA:
undetectable		 2dysA-1oalA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		3 HIS A  46
HIS A  63
HIS A  48
 ZN  A 201 ( 3.1A)
ZN  A 202 (-3.1A)
ZN  A 201 ( 3.2A)
 0.70A 2dysA-1p1vA:
undetectable		 2dysA-1p1vA:
14.47
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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		3 HIS A  47
HIS A  75
HIS A  49
 CU  A 172 (-3.1A)
CU  A 172 (-4.1A)
CU  A 172 (-3.2A)
 0.57A 2dysA-1pzsA:
undetectable		 2dysA-1pzsA:
17.28
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		3 HIS A 689
HIS A 524
HIS A 526
 CU  A 801 (-3.2A)
CU  A 801 (-3.4A)
CU  A 801 (-3.2A)
 0.57A 2dysA-1qafA:
undetectable		 2dysA-1qafA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		3 HIS A 276
HIS A 325
HIS A 326
 CU  A 603 (-3.2A)
CU  A 603 ( 3.4A)
CU  A 603 ( 3.3A)
 0.24A 2dysA-1qleA:
54.5		 2dysA-1qleA:
53.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1srd COPPER,ZINC
SUPEROXIDE DISMUTASE

(Spinacia
oleracea) 		PF00080
(Sod_Cu) 		3 HIS A  46
HIS A  63
HIS A  48
 CU  A 155 (-3.0A)
CU  A 155 ( 3.2A)
CU  A 155 (-3.2A)
 0.64A 2dysA-1srdA:
undetectable		 2dysA-1srdA:
15.91
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.
1sxz PROTEIN (CU-ZN
SUPEROXIDE
DISMUTASE)

(Bos taurus) 		PF00080
(Sod_Cu) 		3 HIS A  44
HIS A  61
HIS A  46
 CU  A 152 ( 3.1A)
ZN  A 153 ( 3.1A)
CU  A 152 (-3.4A)
 0.56A 2dysA-1sxzA:
undetectable		 2dysA-1sxzA:
13.23
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.
1to5 SUPEROXIDE DISMUTASE

(Schistosoma
mansoni) 		PF00080
(Sod_Cu) 		3 HIS A  45
HIS A  62
HIS A  47
 CU  A 712 (-3.3A)
ZN  A 711 ( 3.1A)
CU  A 712 (-3.4A)
 0.59A 2dysA-1to5A:
undetectable		 2dysA-1to5A:
14.77
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.
1vh2 S-RIBOSYLHOMOCYSTEIN
ASE

(Deinococcus
radiodurans) 		PF02664
(LuxS) 		3 HIS A  61
HIS A 131
HIS A  57
 ZN  A 167 (-3.3A)
ZN  A 167 ( 4.9A)
ZN  A 167 (-3.4A)
 0.69A 2dysA-1vh2A:
undetectable		 2dysA-1vh2A:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		3 HIS A 123
HIS A 238
HIS A 125
 None
 0.56A 2dysA-1vrqA:
undetectable		 2dysA-1vrqA:
19.69
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		3 HIS A 694
HIS A 528
HIS A 530
 CU  A 801 (-3.1A)
CU  A 801 (-3.2A)
CU  A 801 (-3.2A)
 0.51A 2dysA-1w7cA:
undetectable		 2dysA-1w7cA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x42 HYPOTHETICAL PROTEIN
PH0459

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		3 HIS A  23
HIS A  95
HIS A  91
 None
 0.58A 2dysA-1x42A:
0.2		 2dysA-1x42A:
18.44
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.
1xso COPPER,ZINC
SUPEROXIDE DISMUTASE

(Xenopus laevis) 		PF00080
(Sod_Cu) 		3 HIS A  44
HIS A  61
HIS A  46
 CU  A   1 ( 3.0A)
ZN  A 152 (-3.1A)
CU  A   1 ( 3.4A)
 0.40A 2dysA-1xsoA:
undetectable		 2dysA-1xsoA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		3 HIS A  70
HIS A  95
HIS A  72
 CU  A 200 (-3.1A)
ZN  A 201 ( 3.1A)
CU  A 200 (-3.2A)
 0.57A 2dysA-1z9nA:
undetectable		 2dysA-1z9nA:
15.31
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.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		3 HIS A  70
HIS A  95
HIS A  72
 CU  A 200 (-3.1A)
ZN  A 201 ( 3.1A)
CU  A 200 (-3.2A)
 0.50A 2dysA-1z9pA:
undetectable		 2dysA-1z9pA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		3 HIS A 432
HIS A 320
HIS A 360
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.3A)
None
 0.75A 2dysA-1zefA:
undetectable		 2dysA-1zefA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		3 HIS A  -3
HIS A  -1
HIS A   0
 ZN  A 405 (-3.1A)
None
ZN  A 405 (-3.2A)
 0.40A 2dysA-2a5vA:
undetectable		 2dysA-2a5vA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		3 HIS A  60
HIS A  85
HIS A  62
 CU  A 402 ( 3.3A)
ZN  A 400 (-3.2A)
CU  A 402 ( 3.4A)
 0.55A 2dysA-2apsA:
undetectable		 2dysA-2apsA:
14.51
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 3 HIS C  79
HIS C 104
HIS C  81
 CU1  C 200 (-3.1A)
ZN  C 201 ( 3.1A)
CU1  C 200 (-3.3A)
 0.62A 2dysA-2aqtC:
undetectable		 2dysA-2aqtC:
16.02
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.49A 2dysA-2c11A:
undetectable		 2dysA-2c11A:
21.37
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.
2cs7 PNEUMOCOCCAL
HISTIDINE TRIAD A
PROTEIN

(Streptococcus
pneumoniae) 		PF04270
(Strep_his_triad) 		3 HIS A  28
HIS A  31
HIS A  33
 ZN  A 201 (-3.1A)
ZN  A 201 (-3.2A)
ZN  A 201 (-3.2A)
 0.72A 2dysA-2cs7A:
undetectable		 2dysA-2cs7A:
7.24
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.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		3 HIS A  50
HIS A  67
HIS A  52
 CU  A 171 (-3.1A)
ZN  A 172 ( 3.1A)
CU  A 171 (-3.2A)
 0.58A 2dysA-2e47A:
undetectable		 2dysA-2e47A:
14.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		3 HIS A 240
HIS A 290
HIS A 291
 CU  A 517 (-3.1A)
CU  A 517 ( 3.2A)
CU  A 517 ( 3.1A)
 0.10A 2dysA-2eijA:
65.4		 2dysA-2eijA:
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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		3 HIS A 154
HIS A   7
HIS A 205
 MN  A 402 (-3.3A)
MN  A 402 (-3.3A)
None
 0.74A 2dysA-2f6kA:
undetectable		 2dysA-2f6kA:
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 HIS A 124
HIS A 239
HIS A 126
 None
 0.51A 2dysA-2gahA:
undetectable		 2dysA-2gahA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gc1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Pyrococcus
furiosus) 		PF06560
(GPI) 		3 HIS A  90
HIS A 136
HIS A  88
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.4A)
 0.68A 2dysA-2gc1A:
undetectable		 2dysA-2gc1A:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)

(Homo sapiens) 		PF00080
(Sod_Cu) 		3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.49A 2dysA-2jlpA:
undetectable		 2dysA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		3 HIS A 234
HIS A  79
HIS A 273
 GUN  A 600 ( 2.8A)
ZN  A 500 ( 3.3A)
GUN  A 600 (-3.9A)
 0.70A 2dysA-2oodA:
undetectable		 2dysA-2oodA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p7h HYPOTHETICAL PROTEIN

(Pectobacterium
atrosepticum) 		PF13489
(Methyltransf_23) 		3 HIS A 170
HIS A 114
HIS A 172
 None
None
EDO  A 252 (-3.9A)
 0.61A 2dysA-2p7hA:
undetectable		 2dysA-2p7hA:
18.52
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 HIS A 683
HIS A 519
HIS A 521
 CU  A 804 (-3.2A)
CU  A 804 (-3.3A)
CU  A 804 ( 3.3A)
 0.56A 2dysA-2pncA:
undetectable		 2dysA-2pncA:
20.73
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.
2q2l SUPEROXIDE DISMUTASE

(Potentilla
atrosanguinea) 		PF00080
(Sod_Cu) 		3 HIS A  45
HIS A  62
HIS A  47
 None
ZN  A1001 (-3.1A)
None
 0.71A 2dysA-2q2lA:
undetectable		 2dysA-2q2lA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qnl UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF12867
(DinB_2) 		3 HIS A  52
HIS A 148
HIS A 152
 None
 0.73A 2dysA-2qnlA:
undetectable		 2dysA-2qnlA:
14.59
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		3 HIS A 217
HIS A 249
HIS A 219
 ZN  A 501 (-3.5A)
None
None
 0.75A 2dysA-2qt3A:
undetectable		 2dysA-2qt3A:
19.66
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.
2wwo SUPEROXIDE DISMUTASE
[CU-ZN]

(Yersinia
pseudotuberculosis) 		PF00080
(Sod_Cu) 		3 HIS A  54
HIS A  79
HIS A  56
 ZN  A1165 (-3.3A)
ZN  A1162 ( 3.2A)
ZN  A1165 (-3.4A)
 0.50A 2dysA-2wwoA:
undetectable		 2dysA-2wwoA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		3 HIS A 250
HIS A 299
HIS A 300
 CU  A1017 (-3.2A)
CU  A1017 ( 3.3A)
CU  A1017 ( 3.1A)
 0.18A 2dysA-2yevA:
55.2		 2dysA-2yevA:
29.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yqy HYPOTHETICAL PROTEIN
TTHA0303

(Thermus
thermophilus) 		PF12867
(DinB_2) 		3 HIS A  53
HIS A 155
HIS A 159
 None
 0.66A 2dysA-2yqyA:
undetectable		 2dysA-2yqyA:
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		3 HIS A  38
HIS A  13
HIS A 226
 ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
 0.75A 2dysA-2z4gA:
undetectable		 2dysA-2z4gA:
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		3 HIS A 204
HIS A  97
HIS A  99
 ZN  A 647 (-3.3A)
ZN  A 647 (-3.4A)
GOL  A 656 ( 4.7A)
 0.75A 2dysA-2zwsA:
undetectable		 2dysA-2zwsA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		3 HIS A 420
HIS A 414
HIS A 410
 ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.2A)
 0.76A 2dysA-3b8zA:
undetectable		 2dysA-3b8zA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ba0 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		3 HIS A 228
HIS A 222
HIS A 218
 ZN  A 471 (-3.7A)
HAE  A 477 ( 3.1A)
ZN  A 471 (-4.0A)
 0.74A 2dysA-3ba0A:
undetectable		 2dysA-3ba0A:
20.45
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		3 HIS A 709
HIS A 670
HIS A 669
 ZN  A 101 (-3.1A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
 0.75A 2dysA-3c10A:
undetectable		 2dysA-3c10A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c5m OLIGOGALACTURONATE
LYASE

(Vibrio
parahaemolyticus) 		PF14583
(Pectate_lyase22) 		3 HIS A 353
HIS A 287
HIS A 355
 MN  A 401 (-3.3A)
MN  A 401 (-3.1A)
MN  A 401 (-3.3A)
 0.52A 2dysA-3c5mA:
undetectable		 2dysA-3c5mA:
19.48
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.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		3 HIS A  50
HIS A  67
HIS A  52
 CU  A 201 (-3.6A)
ZN  A 202 ( 3.1A)
CU  A 201 (-3.2A)
 0.48A 2dysA-3ce1A:
undetectable		 2dysA-3ce1A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		3 HIS A  60
HIS A 243
HIS A 106
 None
 0.70A 2dysA-3dclA:
undetectable		 2dysA-3dclA:
22.20
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.
3f7l COPPER,ZINC
SUPEROXIDE DISMUTASE

(Alvinella
pompejana) 		PF00080
(Sod_Cu) 		3 HIS A  44
HIS A  61
HIS A  46
 CU  A 202 ( 2.9A)
ZN  A 203 (-3.1A)
CU1  A 201 ( 3.1A)
 0.63A 2dysA-3f7lA:
undetectable		 2dysA-3f7lA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5w MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 HIS A 241
HIS A 300
HIS A 243
 None
 0.71A 2dysA-3g5wA:
undetectable		 2dysA-3g5wA:
19.53
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.
3gtt SUPEROXIDE DISMUTASE
[CU-ZN]

(Mus musculus) 		PF00080
(Sod_Cu) 		3 HIS A  46
HIS A  63
HIS A  48
 None
ZN  A 155 (-3.2A)
None
 0.65A 2dysA-3gttA:
undetectable		 2dysA-3gttA:
14.26
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		3 HIS A 859
HIS A 879
HIS A 861
 None
 0.46A 2dysA-3h09A:
undetectable		 2dysA-3h09A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 HIS A 675
HIS A 510
HIS A 512
 CU  A 801 (-3.0A)
CU  A 801 (-3.3A)
CU  A 801 (-3.2A)
 0.44A 2dysA-3higA:
undetectable		 2dysA-3higA:
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		3 HIS A 547
HIS A 563
HIS A 543
 None
None
ZN  A 700 (-3.1A)
 0.60A 2dysA-3hn8A:
undetectable		 2dysA-3hn8A:
19.28
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		3 HIS A 561
HIS A 543
HIS A 563
 None
ZN  A 700 (-3.1A)
None
 0.73A 2dysA-3hn8A:
undetectable		 2dysA-3hn8A:
19.28
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		3 HIS A 153
HIS A  95
HIS A  93
 None
ZN  A 480 (-3.3A)
ZN  A 480 (-3.3A)
 0.69A 2dysA-3hpaA:
undetectable		 2dysA-3hpaA:
22.36
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.
3k7n K-LIKE

(Naja atra) 		PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		3 HIS A 351
HIS A 345
HIS A 341
 ZN  A 704 (-3.2A)
ZN  A 704 (-3.3A)
ZN  A 704 (-3.1A)
 0.71A 2dysA-3k7nA:
undetectable		 2dysA-3k7nA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kgz CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Rhodopseudomonas
palustris) 		PF07883
(Cupin_2) 		3 HIS A  82
HIS A  78
HIS A  80
 MN  A   1 (-3.4A)
MN  A   1 (-3.5A)
None
 0.73A 2dysA-3kgzA:
undetectable		 2dysA-3kgzA:
14.17
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.
3km2 SUPEROXIDE DISMUTASE
[CU-ZN],
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00080
(Sod_Cu) 		3 HIS A  46
HIS A  63
HIS A  48
 None
ZN  A 155 (-3.2A)
None
 0.61A 2dysA-3km2A:
undetectable		 2dysA-3km2A:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l9y SUPEROXIDE DISMUTASE
[CU-ZN]

(Bombyx mori) 		PF00080
(Sod_Cu) 		3 HIS A  45
HIS A  62
HIS A  47
 CU  A 156 (-3.2A)
ZN  A 155 ( 3.1A)
CU  A 156 (-3.2A)
 0.61A 2dysA-3l9yA:
undetectable		 2dysA-3l9yA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		3 HIS A 597
HIS A 436
HIS A 438
 CU  A 635 (-3.0A)
CU  A 635 (-3.2A)
CU  A 635 (-3.2A)
 0.55A 2dysA-3loyA:
undetectable		 2dysA-3loyA:
21.42
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.
3lq0 PROASTACIN

(Astacus astacus) 		PF01400
(Astacin) 		3 HIS A 102
HIS A  96
HIS A  92
 ZN  A 999 (-3.3A)
ZN  A 999 (-3.3A)
ZN  A 999 (-3.3A)
 0.75A 2dysA-3lq0A:
undetectable		 2dysA-3lq0A:
18.73
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.
3lqb LOC792177 PROTEIN

(Danio rerio) 		PF01400
(Astacin) 		3 HIS A 109
HIS A 103
HIS A  99
 ZN  A 201 ( 3.2A)
ZN  A 201 ( 3.3A)
ZN  A 201 ( 3.2A)
 0.74A 2dysA-3lqbA:
undetectable		 2dysA-3lqbA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		3 HIS A  43
HIS A  60
HIS A  45
 CU  A 155 (-3.1A)
ZN  A 153 ( 3.1A)
CU  A 155 (-3.5A)
 0.54A 2dysA-3mndA:
undetectable		 2dysA-3mndA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		3 HIS A 471
HIS A 326
HIS A 327
 None
 0.70A 2dysA-3ob8A:
undetectable		 2dysA-3ob8A:
18.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		3 HIS A 284
HIS A 333
HIS A 334
 CU1  A   5 ( 3.2A)
HEA  A   2 ( 3.3A)
CU1  A   5 (-3.1A)
 0.22A 2dysA-3omnA:
57.9		 2dysA-3omnA:
51.18
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.
3p77 MHC RFP-Y CLASS I
ALPHA CHAIN

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 HIS A 200
HIS A 238
HIS A 202
 None
 0.35A 2dysA-3p77A:
undetectable		 2dysA-3p77A:
17.61
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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		3 HIS A 353
HIS A 287
HIS A 355
 MN  A 389 ( 3.2A)
MN  A 389 ( 3.3A)
MN  A 389 ( 3.3A)
 0.50A 2dysA-3pe7A:
undetectable		 2dysA-3pe7A:
20.71
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		3 HIS A 718
HIS A 552
HIS A 554
 CU  A 901 (-3.1A)
CU  A 901 (-3.2A)
CU  A 901 (-3.2A)
 0.50A 2dysA-3pgbA:
undetectable		 2dysA-3pgbA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl0 UNCHARACTERIZED
PROTEIN

(Methylibium
petroleiphilum) 		PF10014
(2OG-Fe_Oxy_2) 		3 HIS A  89
HIS A 146
HIS A  69
 None
 0.56A 2dysA-3pl0A:
undetectable		 2dysA-3pl0A:
21.09
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		3 HIS A 545
HIS A 541
HIS A 366
 FE2  A   1 (-3.3A)
FE2  A   1 (-3.3A)
FE2  A   1 ( 3.4A)
 0.71A 2dysA-3rdeA:
undetectable		 2dysA-3rdeA:
21.26
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		3 HIS A 592
HIS A 431
HIS A 433
 CU  A 701 (-3.0A)
CU  A 701 (-3.2A)
CU  A 701 (-3.2A)
 0.51A 2dysA-3x3yA:
undetectable		 2dysA-3x3yA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3w ARCHAEMETZINCIN

(Archaeoglobus
fulgidus) 		PF07998
(Peptidase_M54) 		3 HIS A 127
HIS A 121
HIS A 117
 ZN  A1159 ( 3.2A)
ZN  A1159 ( 3.3A)
ZN  A1159 ( 3.2A)
 0.74A 2dysA-4a3wA:
undetectable		 2dysA-4a3wA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aig ADAMALYSIN II

(Crotalus
adamanteus) 		PF01421
(Reprolysin) 		3 HIS A 152
HIS A 146
HIS A 142
 ZN  A 999 ( 3.5A)
ZN  A 999 ( 3.3A)
ZN  A 999 ( 3.2A)
 0.73A 2dysA-4aigA:
undetectable		 2dysA-4aigA:
16.73
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 2dysA-4bedB:
undetectable		 2dysA-4bedB:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4in9 KARILYSIN PROTEASE

(Tannerella
forsythia) 		PF00413
(Peptidase_M10) 		3 HIS A 165
HIS A 159
HIS A 155
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
 0.74A 2dysA-4in9A:
undetectable		 2dysA-4in9A:
14.17
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.
4l05 SUPEROXIDE DISMUTASE
[CU-ZN]

(Brucella
abortus) 		PF00080
(Sod_Cu) 		3 HIS A  48
HIS A  73
HIS A  50
 CU1  A 201 ( 3.1A)
ZN  A 203 (-3.1A)
CU1  A 201 ( 3.2A)
 0.53A 2dysA-4l05A:
undetectable		 2dysA-4l05A:
14.77
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.
4low ACRAF

(Thiomonas
intermedia) 		PF01329
(Pterin_4a) 		3 HIS A   5
HIS A   7
HIS A   8
 NI  A 106 (-3.3A)
NI  A 107 (-4.1A)
NI  A 107 ( 4.2A)
 0.55A 2dysA-4lowA:
undetectable		 2dysA-4lowA:
9.53
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.
4oja SUPEROXIDE DISMUTASE
[CU-ZN]

(Hydra vulgaris) 		PF00080
(Sod_Cu) 		3 HIS A  45
HIS A  62
HIS A  47
 CU  A 201 (-3.4A)
ZN  A 202 ( 3.2A)
CU  A 201 (-3.3A)
 0.61A 2dysA-4ojaA:
undetectable		 2dysA-4ojaA:
14.71
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.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		3 HIS A  58
HIS A  75
HIS A  60
 None
ZN  A 201 (-3.2A)
None
 0.65A 2dysA-4rvpA:
undetectable		 2dysA-4rvpA:
15.66
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		3 HIS A 303
HIS A 194
HIS A 196
 ZN  A 801 ( 3.2A)
ZN  A 801 ( 3.3A)
PO4  A 810 (-4.0A)
 0.73A 2dysA-4wgkA:
undetectable		 2dysA-4wgkA:
22.51
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.
4wk7 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 4

(Homo sapiens) 		PF01421
(Reprolysin) 		3 HIS A 371
HIS A 365
HIS A 361
 ZN  A 501 ( 3.2A)
ZN  A 501 ( 3.3A)
ZN  A 501 ( 3.2A)
 0.75A 2dysA-4wk7A:
undetectable		 2dysA-4wk7A:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		3 HIS B 143
HIS B 145
HIS B 146
 None
 0.68A 2dysA-4ydoB:
1.3		 2dysA-4ydoB:
19.20
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		3 HIS A 215
HIS A 210
HIS A 233
 DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
 0.63A 2dysA-5ao0A:
0.8		 2dysA-5ao0A:
21.20
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		3 HIS A 186
HIS A 180
HIS A 176
 HIS  A 186 (-1.0A)
HIS  A 180 (-1.0A)
HIS  A 176 (-1.0A)
 0.74A 2dysA-5d7wA:
undetectable		 2dysA-5d7wA:
21.94
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		3 HIS A 207
HIS A 257
HIS A 258
 CU  A 503 ( 3.0A)
CU  A 503 ( 3.1A)
CU  A 503 (-3.1A)
 0.40A 2dysA-5djqA:
35.1		 2dysA-5djqA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e68 S-RIBOSYLHOMOCYSTEIN
E LYASE

(Salmonella
enterica) 		PF02664
(LuxS) 		3 HIS A  58
HIS A 134
HIS A  54
 ZN  A 201 (-3.3A)
ZN  A 201 ( 4.8A)
ZN  A 201 (-3.2A)
 0.74A 2dysA-5e68A:
undetectable		 2dysA-5e68A:
14.06
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.
5in2 EXTRACELLULAR
SUPEROXIDE DISMUTASE
[CU-ZN]

(Onchocerca
volvulus) 		PF00080
(Sod_Cu) 		3 HIS A  46
HIS A  63
HIS A  48
 CU  A 203 ( 3.1A)
ZN  A 202 (-3.1A)
CU  A 203 ( 3.2A)
 0.63A 2dysA-5in2A:
undetectable		 2dysA-5in2A:
14.73
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		3 HIS A  75
HIS A  93
HIS A  77
 CU1  A 201 (-3.0A)
CU1  A 201 (-4.2A)
CU1  A 201 (-3.1A)
 0.65A 2dysA-5kbmA:
undetectable		 2dysA-5kbmA:
14.69
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.76A 2dysA-5o25A:
undetectable		 2dysA-5o25A:
20.66
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		3 HIS A 176
HIS A 137
HIS A 136
 ZN  A 701 (-3.3A)
FKS  A 711 (-3.5A)
FKS  A 711 (-4.0A)
 0.70A 2dysA-5td7A:
undetectable		 2dysA-5td7A:
19.94
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.
5tfz DIMETHYLSULFONIOPROP
IONATE LYASE DDDK

(Candidatus
Pelagibacter
ubique) 		PF07883
(Cupin_2) 		3 HIS A  58
HIS A  96
HIS A  56
 NI  A 201 ( 3.3A)
NI  A 201 ( 3.5A)
NI  A 201 ( 3.8A)
 0.73A 2dysA-5tfzA:
undetectable		 2dysA-5tfzA:
15.37
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 3 HIS A  55
HIS A  58
HIS A  60
 None
 0.75A 2dysA-6bbpA:
undetectable		 2dysA-6bbpA:
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.
6csl HISTIDINE TRIAD
PROTEIN D

(Streptococcus
pneumoniae) 		no annotation 3 HIS A 314
HIS A 317
HIS A 319
 ZN  A 401 (-3.0A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.2A)
 0.64A 2dysA-6cslA:
undetectable		 2dysA-6cslA:
undetectable