SIMILAR PATTERNS OF AMINO ACIDS FOR 3S39_A_CUA803

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)
 0.61A 3s39A-1a2vA:
undetectable		 3s39A-1a2vA:
22.32
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.
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
 0.78A 3s39A-1do5A:
undetectable		 3s39A-1do5A:
13.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.26A 3s39A-1ehkA:
62.5		 3s39A-1ehkA:
98.94
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.
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)
 0.65A 3s39A-1eqwA:
undetectable		 3s39A-1eqwA:
13.91
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.
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)
 0.61A 3s39A-1esoA:
undetectable		 3s39A-1esoA:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.38A 3s39A-1fftA:
34.2		 3s39A-1fftA:
24.44
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.
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 3s39A-1j6xA:
undetectable		 3s39A-1j6xA:
13.76
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.
1jhw MACROPHAGE CAPPING
PROTEIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 HIS A  60
HIS A  95
HIS A  62
 None
 0.53A 3s39A-1jhwA:
undetectable		 3s39A-1jhwA:
20.20
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.
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)
 0.67A 3s39A-1ksiA:
0.0		 3s39A-1ksiA:
22.62
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.
1mzg SUFE PROTEIN

(Escherichia
coli) 		PF02657
(SufE) 		3 HIS A 142
HIS A 144
HIS A 145
 None
 0.68A 3s39A-1mzgA:
undetectable		 3s39A-1mzgA:
12.28
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.
1nzy 4-CHLOROBENZOYL
COENZYME A
DEHALOGENASE

(Pseudomonas sp.
CBS3) 		PF00378
(ECH_1) 		3 HIS B 244
HIS B 208
HIS B 242
 None
 0.77A 3s39A-1nzyB:
undetectable		 3s39A-1nzyB:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.64A 3s39A-1oalA:
undetectable		 3s39A-1oalA:
13.95
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.
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)
 0.72A 3s39A-1p1vA:
undetectable		 3s39A-1p1vA:
13.55
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.
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)
 0.62A 3s39A-1pzsA:
undetectable		 3s39A-1pzsA:
16.93
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.
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)
 0.73A 3s39A-1qafA:
undetectable		 3s39A-1qafA:
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.
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)
 0.34A 3s39A-1qleA:
34.5		 3s39A-1qleA:
27.70
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.
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)
 0.63A 3s39A-1srdA:
undetectable		 3s39A-1srdA:
13.31
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.
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)
 0.57A 3s39A-1sxzA:
undetectable		 3s39A-1sxzA:
13.37
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.
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)
 0.68A 3s39A-1to5A:
undetectable		 3s39A-1to5A:
13.94
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.
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)
 0.72A 3s39A-1vh2A:
undetectable		 3s39A-1vh2A:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.70A 3s39A-1vrqA:
undetectable		 3s39A-1vrqA:
21.80
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.
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)
 0.66A 3s39A-1w7cA:
0.0		 3s39A-1w7cA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x42 HYPOTHETICAL PROTEIN
PH0459

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		3 HIS A  23
HIS A  95
HIS A  91
 None
 0.77A 3s39A-1x42A:
undetectable		 3s39A-1x42A:
17.93
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.
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)
 0.44A 3s39A-1xsoA:
undetectable		 3s39A-1xsoA:
14.21
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.
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)
 0.63A 3s39A-1z9nA:
undetectable		 3s39A-1z9nA:
15.28
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.
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)
 0.57A 3s39A-1z9pA:
undetectable		 3s39A-1z9pA:
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.
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
 0.79A 3s39A-1zefA:
undetectable		 3s39A-1zefA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.53A 3s39A-2a5vA:
undetectable		 3s39A-2a5vA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.65A 3s39A-2apsA:
undetectable		 3s39A-2apsA:
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.
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)
 0.69A 3s39A-2aqtC:
undetectable		 3s39A-2aqtC:
15.83
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.
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)
 0.60A 3s39A-2c11A:
undetectable		 3s39A-2c11A:
21.76
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.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.72A 3s39A-2d40A:
undetectable		 3s39A-2d40A:
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.
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 3s39A-2e47A:
undetectable		 3s39A-2e47A:
14.02
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.
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)
 0.31A 3s39A-2eijA:
35.8		 3s39A-2eijA:
27.98
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.
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
 0.65A 3s39A-2gahA:
undetectable		 3s39A-2gahA:
22.01
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.
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)
 0.70A 3s39A-2gc1A:
undetectable		 3s39A-2gc1A:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gwg 4-OXALOMESACONATE
HYDRATASE

(Rhodopseudomonas
palustris) 		PF04909
(Amidohydro_2) 		3 HIS A 178
HIS A   8
HIS A   6
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
 0.79A 3s39A-2gwgA:
undetectable		 3s39A-2gwgA:
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.
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)
 0.54A 3s39A-2jlpA:
undetectable		 3s39A-2jlpA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jsd MATRIX
METALLOPROTEINASE-20

(Homo sapiens) 		PF00413
(Peptidase_M10) 		3 HIS A 236
HIS A 230
HIS A 226
 ZN  A 276 ( 3.0A)
ZN  A 276 ( 3.3A)
NGH  A 277 ( 3.0A)
 0.74A 3s39A-2jsdA:
undetectable		 3s39A-2jsdA:
12.91
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.
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)
 0.76A 3s39A-2oodA:
undetectable		 3s39A-2oodA:
21.32
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.
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)
 0.65A 3s39A-2p7hA:
undetectable		 3s39A-2p7hA:
17.71
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.
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)
 0.67A 3s39A-2pncA:
undetectable		 3s39A-2pncA:
22.27
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.
2q2l SUPEROXIDE DISMUTASE

(Potentilla
atrosanguinea) 		PF00080
(Sod_Cu) 		3 HIS A  45
HIS A  62
HIS A  47
 None
ZN  A1001 (-3.1A)
None
 0.75A 3s39A-2q2lA:
undetectable		 3s39A-2q2lA:
13.26
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.
2qe9 UNCHARACTERIZED
PROTEIN YIZA

(Bacillus
subtilis) 		PF05163
(DinB) 		3 HIS A  44
HIS A 124
HIS A 128
 NI  A 200 ( 3.3A)
NI  A 200 ( 3.3A)
NI  A 200 ( 3.4A)
 0.73A 3s39A-2qe9A:
undetectable		 3s39A-2qe9A:
14.21
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.
2qnl UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF12867
(DinB_2) 		3 HIS A  52
HIS A 148
HIS A 152
 None
 0.73A 3s39A-2qnlA:
undetectable		 3s39A-2qnlA:
15.26
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.
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)
 0.58A 3s39A-2wwoA:
undetectable		 3s39A-2wwoA:
13.91
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.
2x7m ARCHAEMETZINCIN

(Methanopyrus
kandleri) 		PF07998
(Peptidase_M54) 		3 HIS A 135
HIS A 129
HIS A 125
 ZN  A1174 (-3.2A)
ZN  A1174 (-3.2A)
ZN  A1174 (-3.2A)
 0.77A 3s39A-2x7mA:
undetectable		 3s39A-2x7mA:
16.08
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.
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)
 0.32A 3s39A-2yevA:
37.9		 3s39A-2yevA:
24.73
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.
2yqy HYPOTHETICAL PROTEIN
TTHA0303

(Thermus
thermophilus) 		PF12867
(DinB_2) 		3 HIS A  53
HIS A 155
HIS A 159
 None
 0.62A 3s39A-2yqyA:
undetectable		 3s39A-2yqyA:
16.95
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.
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)
 0.77A 3s39A-3b8zA:
undetectable		 3s39A-3b8zA:
16.29
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.
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)
 0.75A 3s39A-3ba0A:
undetectable		 3s39A-3ba0A:
19.59
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.76A 3s39A-3bfjA:
undetectable		 3s39A-3bfjA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		3 HIS A 121
HIS A 160
HIS A 119
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 0.75A 3s39A-3bu7A:
undetectable		 3s39A-3bu7A:
22.32
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.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		3 HIS A 292
HIS A 330
HIS A 290
 FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 0.76A 3s39A-3bu7A:
undetectable		 3s39A-3bu7A:
22.32
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.
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)
 0.43A 3s39A-3c5mA:
undetectable		 3s39A-3c5mA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.51A 3s39A-3ce1A:
undetectable		 3s39A-3ce1A:
15.99
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		3 HIS A 134
HIS A 136
HIS A   5
 None
 0.78A 3s39A-3d1jA:
undetectable		 3s39A-3d1jA:
25.70
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		3 HIS A  60
HIS A 243
HIS A 106
 None
 0.79A 3s39A-3dclA:
undetectable		 3s39A-3dclA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		3 HIS A  47
HIS A 127
HIS A 131
 None
 0.74A 3s39A-3dkaA:
undetectable		 3s39A-3dkaA:
13.31
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.
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)
 0.65A 3s39A-3f7lA:
undetectable		 3s39A-3f7lA:
13.36
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.
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
 0.76A 3s39A-3g5wA:
undetectable		 3s39A-3g5wA:
18.45
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.
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
 0.70A 3s39A-3gttA:
undetectable		 3s39A-3gttA:
13.19
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		3 HIS A 859
HIS A 879
HIS A 861
 None
 0.58A 3s39A-3h09A:
undetectable		 3s39A-3h09A:
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.
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)
 0.56A 3s39A-3higA:
undetectable		 3s39A-3higA:
22.18
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		3 HIS A 547
HIS A 563
HIS A 543
 None
None
ZN  A 700 (-3.1A)
 0.69A 3s39A-3hn8A:
undetectable		 3s39A-3hn8A:
19.68
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		3 HIS A 561
HIS A 543
HIS A 563
 None
ZN  A 700 (-3.1A)
None
 0.77A 3s39A-3hn8A:
undetectable		 3s39A-3hn8A:
19.68
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.
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)
 0.73A 3s39A-3k7nA:
undetectable		 3s39A-3k7nA:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkc TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00440
(TetR_N)
PF14278
(TetR_C_8) 		3 HIS A  67
HIS A  83
HIS A  87
 NI  A 201 (-3.4A)
NI  A 201 (-3.4A)
NI  A 201 ( 3.3A)
 0.75A 3s39A-3kkcA:
undetectable		 3s39A-3kkcA:
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.
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
 0.66A 3s39A-3km2A:
undetectable		 3s39A-3km2A:
13.70
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.
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)
 0.64A 3s39A-3l9yA:
undetectable		 3s39A-3l9yA:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.68A 3s39A-3loyA:
undetectable		 3s39A-3loyA:
21.32
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.
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)
 0.76A 3s39A-3lq0A:
undetectable		 3s39A-3lq0A:
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.
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)
 0.76A 3s39A-3lqbA:
undetectable		 3s39A-3lqbA:
15.18
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.
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)
 0.58A 3s39A-3mndA:
undetectable		 3s39A-3mndA:
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.
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)
 0.42A 3s39A-3omnA:
36.7		 3s39A-3omnA:
26.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.34A 3s39A-3p77A:
undetectable		 3s39A-3p77A:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.41A 3s39A-3pe7A:
undetectable		 3s39A-3pe7A:
21.43
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.
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)
 0.65A 3s39A-3pgbA:
undetectable		 3s39A-3pgbA:
21.93
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.
3pl0 UNCHARACTERIZED
PROTEIN

(Methylibium
petroleiphilum) 		PF10014
(2OG-Fe_Oxy_2) 		3 HIS A  89
HIS A 146
HIS A  69
 None
 0.47A 3s39A-3pl0A:
undetectable		 3s39A-3pl0A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.67A 3s39A-3x3yA:
undetectable		 3s39A-3x3yA:
22.34
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.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		3 HIS A 121
HIS A 160
HIS A 119
 FE  A 401 (-3.4A)
FE  A 401 (-3.3A)
FE  A 401 (-3.2A)
 0.78A 3s39A-4fahA:
undetectable		 3s39A-4fahA:
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		3 HIS A 267
HIS A 281
HIS A 271
 NI  A 501 (-3.4A)
NI  A 501 (-3.6A)
None
 0.74A 3s39A-4fr2A:
0.7		 3s39A-4fr2A:
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		3 HIS A 162
HIS A 156
HIS A 152
 CD  A 701 (-3.7A)
CD  A 701 (-3.7A)
CD  A 701 (-3.7A)
 0.76A 3s39A-4gwnA:
undetectable		 3s39A-4gwnA:
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.
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)
 0.77A 3s39A-4in9A:
undetectable		 3s39A-4in9A:
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.
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)
 0.54A 3s39A-4l05A:
undetectable		 3s39A-4l05A:
15.47
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.
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)
 0.66A 3s39A-4lowA:
undetectable		 3s39A-4lowA:
11.15
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.
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)
 0.66A 3s39A-4ojaA:
undetectable		 3s39A-4ojaA:
15.23
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.
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
 0.64A 3s39A-4rvpA:
undetectable		 3s39A-4rvpA:
13.53
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.
4s10 GELSOLIN NANOBODY
GELSOLIN

(Lama glama;
Homo sapiens) 		PF07686
(V-set)
PF00626
(Gelsolin) 		3 HIS A 101
HIS C 198
HIS C 232
 None
 0.71A 3s39A-4s10A:
undetectable		 3s39A-4s10A:
12.77
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		3 HIS A 272
HIS A 249
HIS A 268
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
 0.79A 3s39A-4zr1A:
undetectable		 3s39A-4zr1A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.68A 3s39A-5ao0A:
undetectable		 3s39A-5ao0A:
22.01
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 3 HIS A 760
HIS A 762
HIS A 814
 None
 0.77A 3s39A-5b7iA:
undetectable		 3s39A-5b7iA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.77A 3s39A-5d7wA:
undetectable		 3s39A-5d7wA:
20.38
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.
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)
 0.33A 3s39A-5djqA:
31.3		 3s39A-5djqA:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.77A 3s39A-5e68A:
undetectable		 3s39A-5e68A:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.64A 3s39A-5in2A:
undetectable		 3s39A-5in2A:
13.62
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.
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)
 0.67A 3s39A-5kbmA:
undetectable		 3s39A-5kbmA:
13.40
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.
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)
 0.70A 3s39A-5o25A:
1.2		 3s39A-5o25A:
19.89
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.
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
 0.67A 3s39A-6bbpA:
undetectable		 3s39A-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)
 0.72A 3s39A-6cslA:
undetectable		 3s39A-6cslA:
undetectable