SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG4_A_CUA517

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)
 0.67A 3ag4A-1a2vA:
undetectable		 3ag4A-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.
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)
 0.41A 3ag4A-1ehkA:
35.8		 3ag4A-1ehkA:
28.26
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)
 0.56A 3ag4A-1fftA:
49.2		 3ag4A-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.
1j3p PHOSPHOGLUCOSE
ISOMERASE

(Thermococcus
litoralis) 		PF06560
(GPI) 		3 HIS A  91
HIS A  89
HIS A 159
 FE  A 201 (-4.4A)
FE  A 201 (-4.1A)
FE  A 201 (-4.2A)
 0.73A 3ag4A-1j3pA:
undetectable		 3ag4A-1j3pA:
16.38
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.
1jhw MACROPHAGE CAPPING
PROTEIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 HIS A  60
HIS A  95
HIS A  62
 None
 0.60A 3ag4A-1jhwA:
undetectable		 3ag4A-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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		3 HIS A 149
HIS A 316
HIS A 272
 ZN  A 479 (-3.1A)
None
SO4  A 481 ( 4.8A)
 0.74A 3ag4A-1k7hA:
undetectable		 3ag4A-1k7hA:
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.
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)
 0.63A 3ag4A-1ksiA:
undetectable		 3ag4A-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.
1l8k T-CELL
PROTEIN-TYROSINE
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 HIS A 176
HIS A 157
HIS A 174
 None
 0.70A 3ag4A-1l8kA:
undetectable		 3ag4A-1l8kA:
18.68
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.
1mzg SUFE PROTEIN

(Escherichia
coli) 		PF02657
(SufE) 		3 HIS A 142
HIS A 144
HIS A 145
 None
 0.66A 3ag4A-1mzgA:
0.0		 3ag4A-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.
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)
 0.66A 3ag4A-1qafA:
undetectable		 3ag4A-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)
 0.40A 3ag4A-1qleA:
54.1		 3ag4A-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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		3 HIS A 293
HIS A 260
HIS A 291
 ZN  A 400 (-3.1A)
None
None
 0.73A 3ag4A-1qwyA:
undetectable		 3ag4A-1qwyA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rxq YFIT

(Bacillus
subtilis) 		PF12867
(DinB_2) 		3 HIS A  67
HIS A 160
HIS A 164
 NI  A 300 (-3.3A)
NI  A 300 (-3.3A)
NI  A 300 (-3.3A)
 0.75A 3ag4A-1rxqA:
undetectable		 3ag4A-1rxqA:
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.
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
 0.60A 3ag4A-1vrqA:
undetectable		 3ag4A-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)
 0.64A 3ag4A-1w7cA:
undetectable		 3ag4A-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
 0.56A 3ag4A-1x42A:
undetectable		 3ag4A-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)
 0.65A 3ag4A-1xsoA:
undetectable		 3ag4A-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.
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)
 0.66A 3ag4A-1z9pA:
undetectable		 3ag4A-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
 0.73A 3ag4A-1zefA:
undetectable		 3ag4A-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.
1zyb TRANSCRIPTION
REGULATOR, CRP
FAMILY

(Bacteroides
thetaiotaomicron) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		3 HIS A  -2
HIS A  -1
HIS A  -4
 GOL  A 223 (-3.7A)
None
None
 0.74A 3ag4A-1zybA:
undetectable		 3ag4A-1zybA:
15.76
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.
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)
 0.38A 3ag4A-2a5vA:
undetectable		 3ag4A-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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		3 HIS A 169
HIS A 104
HIS A 173
 ZN  A 252 (-3.3A)
ZN  A 252 (-3.3A)
None
 0.73A 3ag4A-2a7mA:
undetectable		 3ag4A-2a7mA:
18.38
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.
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)
 0.70A 3ag4A-2apsA:
undetectable		 3ag4A-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.
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)
 0.69A 3ag4A-2c11A:
undetectable		 3ag4A-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)
 0.71A 3ag4A-2cs7A:
undetectable		 3ag4A-2cs7A:
7.24
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)
 0.25A 3ag4A-2eijA:
65.7		 3ag4A-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.
2f22 BH3987

(Bacillus
halodurans) 		PF05163
(DinB) 		3 HIS A  42
HIS A 114
HIS A 118
 NI  A 144 (-3.3A)
NI  A 144 (-3.2A)
NI  A 144 (-3.2A)
 0.75A 3ag4A-2f22A:
undetectable		 3ag4A-2f22A:
12.50
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.
2f4p HYPOTHETICAL PROTEIN
TM1010

(Thermotoga
maritima) 		PF07883
(Cupin_2) 		3 HIS A  95
HIS A  52
HIS A  93
 UNL  A 136 (-3.9A)
UNL  A 136 (-3.3A)
None
 0.57A 3ag4A-2f4pA:
undetectable		 3ag4A-2f4pA:
14.12
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
 0.53A 3ag4A-2gahA:
undetectable		 3ag4A-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  88
HIS A 158
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
S6P  A 502 (-4.2A)
 0.74A 3ag4A-2gc1A:
undetectable		 3ag4A-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.
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)
 0.72A 3ag4A-2gc1A:
undetectable		 3ag4A-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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 HIS A 716
HIS A 530
HIS A 525
 FE  A 901 (-3.5A)
FE  A 901 (-3.5A)
FE  A 901 (-3.3A)
 0.73A 3ag4A-2iukA:
undetectable		 3ag4A-2iukA:
20.50
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.
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)
 0.68A 3ag4A-2jlpA:
undetectable		 3ag4A-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)
 0.75A 3ag4A-2oodA:
undetectable		 3ag4A-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)
 0.50A 3ag4A-2p7hA:
undetectable		 3ag4A-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)
 0.69A 3ag4A-2pncA:
undetectable		 3ag4A-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.
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)
 0.75A 3ag4A-2qe9A:
2.0		 3ag4A-2qe9A:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qnl UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF12867
(DinB_2) 		3 HIS A  52
HIS A 148
HIS A 152
 None
 0.71A 3ag4A-2qnlA:
undetectable		 3ag4A-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
 0.54A 3ag4A-2qt3A:
undetectable		 3ag4A-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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		3 HIS A 159
HIS A  69
HIS A 163
 FE2  A 402 ( 3.3A)
FE2  A 402 (-3.4A)
None
 0.75A 3ag4A-2vw8A:
undetectable		 3ag4A-2vw8A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.33A 3ag4A-2yevA:
54.7		 3ag4A-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
 0.69A 3ag4A-2yqyA:
undetectable		 3ag4A-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.
2yyb HYPOTHETICAL PROTEIN
TTHA1606

(Thermus
thermophilus) 		PF01784
(NIF3) 		3 HIS A  97
HIS A  65
HIS A  64
 None
 0.74A 3ag4A-2yybA:
undetectable		 3ag4A-2yybA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		3 HIS A 171
HIS A  70
HIS A 175
 ZN  A 318 (-3.3A)
ZN  A 318 (-3.4A)
None
 0.74A 3ag4A-2zo4A:
undetectable		 3ag4A-2zo4A:
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		3 HIS A 125
HIS A  54
HIS A 129
 ZN  A 209 (-3.3A)
ZN  A 209 (-3.3A)
None
 0.69A 3ag4A-2zwrA:
undetectable		 3ag4A-2zwrA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		3 HIS A  49
HIS A  81
HIS A 131
 GOL  A 302 (-4.0A)
GOL  A 302 (-3.9A)
GOL  A 302 (-4.0A)
 0.73A 3ag4A-3bczA:
undetectable		 3ag4A-3bczA:
19.02
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.
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
 0.75A 3ag4A-3bfjA:
undetectable		 3ag4A-3bfjA:
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.
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)
 0.59A 3ag4A-3c5mA:
undetectable		 3ag4A-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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		3 HIS A  60
HIS A 243
HIS A 106
 None
 0.67A 3ag4A-3dclA:
undetectable		 3ag4A-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.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		3 HIS A  47
HIS A 127
HIS A 131
 None
 0.70A 3ag4A-3dkaA:
undetectable		 3ag4A-3dkaA:
13.42
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 3ag4A-3egwA:
undetectable		 3ag4A-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		3 HIS A 859
HIS A 879
HIS A 861
 None
 0.46A 3ag4A-3h09A:
undetectable		 3ag4A-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)
 0.61A 3ag4A-3higA:
undetectable		 3ag4A-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.
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)
 0.70A 3ag4A-3hpaA:
undetectable		 3ag4A-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.
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 3ag4A-3kkcA:
2.1		 3ag4A-3kkcA:
15.40
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.
3kw8 PUTATIVE COPPER
OXIDASE

(Streptomyces
coelicolor) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 HIS A 156
HIS A 104
HIS A 154
 None
 0.71A 3ag4A-3kw8A:
undetectable		 3ag4A-3kw8A:
21.11
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.
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)
 0.69A 3ag4A-3loyA:
undetectable		 3ag4A-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.
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
 0.64A 3ag4A-3ob8A:
undetectable		 3ag4A-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)
 0.17A 3ag4A-3omnA:
57.4		 3ag4A-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
 0.46A 3ag4A-3p77A:
undetectable		 3ag4A-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)
 0.56A 3ag4A-3pe7A:
undetectable		 3ag4A-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)
 0.62A 3ag4A-3pgbA:
undetectable		 3ag4A-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
 0.57A 3ag4A-3pl0A:
undetectable		 3ag4A-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.
3rzu STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		3 HIS A 350
HIS A 396
HIS A 398
 ZN  A   2 (-3.5A)
ZN  A   2 (-3.5A)
ZN  A   2 (-3.4A)
 0.69A 3ag4A-3rzuA:
undetectable		 3ag4A-3rzuA:
16.83
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.
3rzv STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		3 HIS A 350
HIS A 396
HIS A 398
 ZN  A   2 (-3.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-3.2A)
 0.73A 3ag4A-3rzvA:
undetectable		 3ag4A-3rzvA:
18.76
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.
3s0m OXALATE
DECARBOXYLASE OXDC

(Bacillus
subtilis) 		PF00190
(Cupin_1) 		3 HIS A  97
HIS A 140
HIS A  95
 MN  A 500 ( 3.6A)
MN  A 500 (-3.5A)
MN  A 500 ( 3.3A)
 0.73A 3ag4A-3s0mA:
undetectable		 3ag4A-3s0mA:
21.29
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.
3t9w SMALL LACCASE,
MULTI-COPPER OXIDASE

(Amycolatopsis
sp. ATCC 39116) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 HIS A  92
HIS A 144
HIS A  90
 None
 0.74A 3ag4A-3t9wA:
undetectable		 3ag4A-3t9wA:
19.61
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.
3t9w SMALL LACCASE,
MULTI-COPPER OXIDASE

(Amycolatopsis
sp. ATCC 39116) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 HIS A 144
HIS A  92
HIS A 142
 None
 0.71A 3ag4A-3t9wA:
undetectable		 3ag4A-3t9wA:
19.61
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 HIS A 550
HIS A 372
HIS A 367
 FE2  A 701 (-3.3A)
FE2  A 701 (-3.3A)
FE2  A 701 (-3.4A)
 0.73A 3ag4A-3v98A:
1.6		 3ag4A-3v98A:
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.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 HIS A 556
HIS A 378
HIS A 373
 FE2  A 701 (-3.3A)
FE2  A 701 (-3.3A)
FE2  A 701 (-3.4A)
 0.70A 3ag4A-3vf1A:
undetectable		 3ag4A-3vf1A:
22.08
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		3 HIS A  67
HIS A 372
HIS A 103
 None
 0.70A 3ag4A-3w6qA:
undetectable		 3ag4A-3w6qA:
20.09
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.
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)
 0.64A 3ag4A-3x3yA:
undetectable		 3ag4A-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.
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)
 0.71A 3ag4A-4aigA:
undetectable		 3ag4A-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 A 462
HIS A 633
HIS A 491
 CUO  A9002 (-3.2A)
CUO  A9002 (-3.3A)
CUO  A9002 (-3.4A)
 0.70A 3ag4A-4bedA:
undetectable		 3ag4A-4bedA:
14.65
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 HIS A 876
HIS A1046
HIS A 905
 CUO  A9003 (-3.3A)
CUO  A9003 (-3.2A)
CUO  A9003 (-3.5A)
 0.72A 3ag4A-4bedA:
undetectable		 3ag4A-4bedA:
14.65
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 HIS A1293
HIS A1455
HIS A1320
 CUO  A9004 (-3.2A)
CUO  A9004 (-3.3A)
CUO  A9004 (-3.5A)
 0.75A 3ag4A-4bedA:
undetectable		 3ag4A-4bedA:
14.65
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 HIS B2542
HIS B2701
HIS B2570
 CUO  B9007 (-3.3A)
CUO  B9007 (-3.1A)
CUO  B9007 (-3.3A)
 0.71A 3ag4A-4bedB:
undetectable		 3ag4A-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.
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)
 0.56A 3ag4A-4bedB:
undetectable		 3ag4A-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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 HIS B3106
HIS B3079
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
 0.70A 3ag4A-4bedB:
undetectable		 3ag4A-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.
4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		3 HIS A  96
HIS A  53
HIS A  94
 MN  A1132 (-3.4A)
MN  A1132 (-3.3A)
MN  A1132 (-3.6A)
 0.73A 3ag4A-4bifA:
undetectable		 3ag4A-4bifA:
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.
4f2l 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Rattus
norvegicus) 		no annotation 3 HIS A 339
HIS A 344
HIS A 340
 None
 0.73A 3ag4A-4f2lA:
undetectable		 3ag4A-4f2lA:
8.47
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.
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
 0.71A 3ag4A-4fr2A:
undetectable		 3ag4A-4fr2A:
22.06
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.
4gyb COPPER OXIDASE

(Streptomyces
lividans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 HIS A 156
HIS A 104
HIS A 154
 None
 0.72A 3ag4A-4gybA:
undetectable		 3ag4A-4gybA:
22.59
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		3 HIS A 185
HIS A  96
HIS A 189
 ZN  A 302 (-3.3A)
ZN  A 302 (-3.4A)
None
 0.71A 3ag4A-4keqA:
undetectable		 3ag4A-4keqA:
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.
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)
 0.51A 3ag4A-4lowA:
undetectable		 3ag4A-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.
4mn7 PUTATIVE
UNCHARACTERIZED
PROTEIN TA0848

(Thermoplasma
acidophilum) 		PF13185
(GAF_2) 		3 HIS A 144
HIS A 146
HIS A 147
 None
 0.74A 3ag4A-4mn7A:
undetectable		 3ag4A-4mn7A:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		3 HIS A  34
HIS A 171
HIS A 126
 GOL  A 622 (-3.6A)
GOL  A 622 (-4.2A)
GOL  A 622 (-3.3A)
 0.74A 3ag4A-4pspA:
undetectable		 3ag4A-4pspA:
20.57
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.
4uxa CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		3 HIS A  96
HIS A  53
HIS A  94
 MN  A 200 (-3.7A)
MN  A 200 (-3.6A)
MN  A 200 (-3.6A)
 0.75A 3ag4A-4uxaA:
undetectable		 3ag4A-4uxaA:
13.28
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.
4w1t COPPER OXIDASE

(Streptomyces
sviceus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 HIS A 153
HIS A 101
HIS A 151
 CU  A 404 (-3.0A)
CU  A 404 (-3.1A)
None
 0.73A 3ag4A-4w1tA:
undetectable		 3ag4A-4w1tA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.71A 3ag4A-4wgkA:
undetectable		 3ag4A-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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		3 HIS B 143
HIS B 145
HIS B 146
 None
 0.60A 3ag4A-4ydoB:
undetectable		 3ag4A-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)
 0.74A 3ag4A-5ao0A:
undetectable		 3ag4A-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.
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)
 0.50A 3ag4A-5djqA:
4.5		 3ag4A-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.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		3 HIS A 570
HIS A 364
HIS A 359
 FE2  A 701 (-3.6A)
FE2  A 701 (-3.6A)
FE2  A 701 (-3.5A)
 0.66A 3ag4A-5ek8A:
3.4		 3ag4A-5ek8A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jir OOP FAMILY OMPA-OMPF
PORIN

(Treponema
pallidum) 		no annotation 3 HIS B 166
HIS B 149
HIS B 150
 None
 0.67A 3ag4A-5jirB:
undetectable		 3ag4A-5jirB:
22.82
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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		3 HIS A 238
HIS A 183
HIS A 304
 FE2  A 502 (-4.5A)
FE2  A 502 (-4.0A)
FE2  A 502 (-3.8A)
 0.74A 3ag4A-5kjaA:
undetectable		 3ag4A-5kjaA:
21.95
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.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 3 HIS A 157
HIS A 105
HIS A 155
 CU  A 402 ( 3.2A)
CU  A 402 (-3.2A)
None
 0.72A 3ag4A-5mkmA:
undetectable		 3ag4A-5mkmA:
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.
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)
 0.66A 3ag4A-5tfzA:
undetectable		 3ag4A-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.
6c8s LOGANIC ACID
O-METHYLTRANSFERASE

(Catharanthus
roseus) 		no annotation 3 HIS A 275
HIS A 245
HIS A 185
 None
 0.66A 3ag4A-6c8sA:
undetectable		 3ag4A-6c8sA:
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)
 0.67A 3ag4A-6cslA:
undetectable		 3ag4A-6cslA:
undetectable