SIMILAR PATTERNS OF AMINO ACIDS FOR 2XXG_A_CUA1338

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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		3 ASP A 243
HIS A 186
HIS A  12
 ZN  A   1 (-2.7A)
ZN  A 293 (-3.3A)
ZN  A   1 (-3.5A)
 0.67A 2xxgA-1bf6A:
undetectable		 2xxgA-1bf6A:
22.16
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.
1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE

(Escherichia
virus Lambda) 		PF00149
(Metallophos) 		3 ASP A  49
HIS A  76
HIS A  22
 MN  A1005 (-2.6A)
SO4  A3001 (-3.9A)
MN  A1006 (-3.4A)
 0.65A 2xxgA-1g5bA:
undetectable		 2xxgA-1g5bA:
23.38
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		3 ASP A  84
HIS A 117
HIS A  43
 ZN  A 601 (-2.7A)
CO3  A 602 (-3.8A)
ZN  A 600 (-3.3A)
 0.70A 2xxgA-1hp1A:
undetectable		 2xxgA-1hp1A:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 ASP A  97
HIS A  99
HIS A 134
 NO2  A2504 (-2.9A)
CU  A 502 ( 3.4A)
CU  A 502 ( 3.3A)
 0.12A 2xxgA-1kbvA:
41.1		 2xxgA-1kbvA:
38.18
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		3 ASP A 366
HIS A 250
HIS A  67
 ACT  A 901 (-2.6A)
ZN  A 801 ( 3.2A)
ZN  A 802 ( 3.2A)
 0.70A 2xxgA-1m7jA:
undetectable		 2xxgA-1m7jA:
24.08
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		3 ASP 1 271
HIS 1 304
HIS 1 244
 MN  1 601 ( 3.0A)
None
MN  1 602 (-3.3A)
 0.59A 2xxgA-1wao1:
undetectable		 2xxgA-1wao1:
21.82
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.
2anu HYPOTHETICAL PROTEIN
TM0559

(Thermotoga
maritima) 		no annotation 3 ASP A  20
HIS A  15
HIS A  45
 ZN  A 505 (-2.0A)
ZN  A 405 (-3.4A)
ZN  A 505 ( 3.4A)
 0.69A 2xxgA-2anuA:
undetectable		 2xxgA-2anuA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avf COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 ASP A  98
HIS A 100
HIS A 135
 CU  A 502 (-4.7A)
CU  A 502 ( 3.2A)
CU  A 502 ( 3.3A)
 0.30A 2xxgA-2avfA:
50.4		 2xxgA-2avfA:
69.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		3 ASP A 212
HIS A 270
HIS A 248
 ZN  A 402 ( 2.3A)
ZN  A 402 (-3.3A)
None
 0.70A 2xxgA-2cbnA:
undetectable		 2xxgA-2cbnA:
20.99
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		3 ASP A 389
HIS A 350
HIS A 106
 None
VO4  A 801 (-3.8A)
VO4  A 801 (-3.8A)
 0.68A 2xxgA-2d1gA:
undetectable		 2xxgA-2d1gA:
21.40
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.
2dfj DIADENOSINETETRAPHOS
PHATASE

(Shigella
flexneri) 		PF00149
(Metallophos) 		3 ASP A  37
HIS A  66
HIS A  10
 MN  A1001 ( 3.0A)
None
MN  A1002 (-3.3A)
 0.64A 2xxgA-2dfjA:
undetectable		 2xxgA-2dfjA:
22.45
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.
2dv6 NITRITE REDUCTASE

(Hyphomicrobium
denitrificans) 		PF07732
(Cu-oxidase_3) 		3 ASP A 222
HIS A 224
HIS A 259
 CU  A 501 (-3.9A)
CU  A 501 (-3.3A)
CU  A 501 (-3.2A)
 0.16A 2xxgA-2dv6A:
37.7		 2xxgA-2dv6A:
29.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 ASP A 129
HIS A 131
HIS A 166
 CU  A 402 ( 3.9A)
CU  A 402 ( 3.2A)
CU  A 402 ( 3.3A)
 0.10A 2xxgA-2dwsA:
52.9		 2xxgA-2dwsA:
66.57
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		3 ASP A 211
HIS A 269
HIS A 247
 ZN  A 401 (-2.6A)
ZN  A 401 (-3.6A)
None
 0.64A 2xxgA-2fk6A:
undetectable		 2xxgA-2fk6A:
23.94
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		3 ASP A  63
HIS A  98
HIS A  23
 MN  A 555 (-2.6A)
CAC  A 400 (-4.0A)
FE  A 444 ( 3.4A)
 0.67A 2xxgA-2hypA:
undetectable		 2xxgA-2hypA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		3 ASP A 179
HIS A 418
HIS A 396
 ZN  A 481 (-2.5A)
ZN  A 481 ( 3.4A)
SO4  A 491 (-4.0A)
 0.70A 2xxgA-2i7tA:
undetectable		 2xxgA-2i7tA:
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.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		3 ASP A 236
HIS A 135
HIS A 133
 ZN  A1253 (-2.2A)
ZN  A1253 (-3.0A)
None
 0.70A 2xxgA-2jigA:
undetectable		 2xxgA-2jigA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		3 ASP C  85
HIS C 118
HIS C  59
 MN  C 501 ( 2.3A)
None
MN  C 502 (-3.5A)
 0.56A 2xxgA-2nymC:
undetectable		 2xxgA-2nymC:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00149
(Metallophos) 		3 ASP A  55
HIS A  82
HIS A  28
 MN  A 401 (-3.0A)
PO4  A 500 (-4.1A)
MN  A 400 (-3.6A)
 0.68A 2xxgA-2qjcA:
undetectable		 2xxgA-2qjcA:
23.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 ASP A  92
HIS A  94
HIS A 129
 ZN  A1328 (-4.1A)
ZN  A1328 (-3.3A)
ZN  A1328 (-3.3A)
 0.16A 2xxgA-2vmjA:
52.7		 2xxgA-2vmjA:
95.85
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		3 ASP A 101
HIS A 135
HIS A  49
 FE  A 556 (-2.8A)
PO4  A1444 (-3.8A)
MN  A 555 ( 3.4A)
 0.61A 2xxgA-2xmoA:
undetectable		 2xxgA-2xmoA:
21.70
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.
2xst LIPOCALIN 15

(Homo sapiens) 		PF00061
(Lipocalin) 		3 ASP A  87
HIS A  74
HIS A  72
 None
 0.62A 2xxgA-2xstA:
undetectable		 2xxgA-2xstA:
18.77
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.
2y7c TYPE-1 RESTRICTION
ENZYME ECOKI
SPECIFICITY PROTEIN

(Escherichia
coli) 		PF01420
(Methylase_S) 		3 ASP A  77
HIS A  97
HIS A  95
 None
 0.70A 2xxgA-2y7cA:
undetectable		 2xxgA-2y7cA:
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 ASP A 352
HIS A 603
HIS A 579
 ZN  A1637 (-2.2A)
ZN  A1637 ( 3.2A)
PO4  A1639 (-3.9A)
 0.70A 2xxgA-2ycbA:
undetectable		 2xxgA-2ycbA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		3 ASP A  83
HIS A 116
HIS A  39
 ZN  A5648 (-2.7A)
THM  A6510 ( 3.5A)
ZN  A5647 ( 3.4A)
 0.65A 2xxgA-2z1aA:
undetectable		 2xxgA-2z1aA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		3 ASP A 114
HIS A 150
HIS A  80
 ZN  A 402 ( 2.8A)
None
ZN  A 401 (-3.2A)
 0.65A 2xxgA-2zbmA:
undetectable		 2xxgA-2zbmA:
23.48
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.
2zoo PROBABLE NITRITE
REDUCTASE

(Pseudoalteromonas
haloplanktis) 		PF00034
(Cytochrom_C)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 ASP A  87
HIS A  89
HIS A 124
 CU  A 501 ( 4.1A)
CU  A 501 (-3.1A)
CU  A 501 (-3.2A)
 0.13A 2xxgA-2zooA:
40.4		 2xxgA-2zooA:
27.08
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		3 ASP A 349
HIS A 344
HIS A 374
 None
 0.63A 2xxgA-3auoA:
undetectable		 2xxgA-3auoA:
21.88
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.
3auz DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		3 ASP A  49
HIS A  85
HIS A  10
 MN  A 402 ( 2.9A)
None
MN  A 401 (-3.4A)
 0.49A 2xxgA-3auzA:
undetectable		 2xxgA-3auzA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		3 ASP A  80
HIS A 115
HIS A  36
 ZN  A 601 ( 2.7A)
FMT  A 607 (-4.0A)
None
 0.62A 2xxgA-3c9fA:
undetectable		 2xxgA-3c9fA:
20.74
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		3 ASP A 227
HIS A 179
HIS A   8
 ZN  A 302 (-2.5A)
ZN  A 301 (-3.2A)
ZN  A 302 (-3.3A)
 0.70A 2xxgA-3cjpA:
undetectable		 2xxgA-3cjpA:
22.38
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		3 ASP A  24
HIS A  19
HIS A  49
 ZN  A 301 ( 2.2A)
FE  A 303 ( 3.5A)
ZN  A 301 ( 3.3A)
 0.66A 2xxgA-3e0fA:
undetectable		 2xxgA-3e0fA:
22.97
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		3 ASP A  51
HIS A  46
HIS A  76
 ZN  A   3 ( 2.0A)
ZN  A   2 ( 3.2A)
ZN  A   3 ( 3.3A)
 0.63A 2xxgA-3e38A:
undetectable		 2xxgA-3e38A:
21.55
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.
3f8n PEROXIDE OPERON
REGULATOR

(Bacillus
subtilis) 		PF01475
(FUR) 		3 ASP A 104
HIS A  93
HIS A  91
 MN  A 201 (-2.3A)
MN  A 201 (-3.2A)
MN  A 201 (-3.2A)
 0.66A 2xxgA-3f8nA:
undetectable		 2xxgA-3f8nA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		3 ASP A 164
HIS A 222
HIS A 200
 MN  A 401 (-2.1A)
MN  A 401 (-3.7A)
MLT  A 500 (-4.1A)
 0.60A 2xxgA-3g1pA:
undetectable		 2xxgA-3g1pA:
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		3 ASP A 303
HIS A 230
HIS A  58
 ZN  A 500 (-2.7A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
 0.70A 2xxgA-3griA:
undetectable		 2xxgA-3griA:
23.20
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		3 ASP A  61
HIS A 106
HIS A  18
 MG  A 403 ( 2.7A)
CIT  A 502 (-3.9A)
MN  A 402 (-3.4A)
 0.70A 2xxgA-3gveA:
undetectable		 2xxgA-3gveA:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 ASP A  98
HIS A 100
HIS A 135
 CU  A1502 ( 4.0A)
CU  A1502 (-3.3A)
CU  A1502 (-3.2A)
 0.09A 2xxgA-3h4hA:
53.6		 2xxgA-3h4hA:
65.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Homo sapiens) 		PF00149
(Metallophos)
PF08321
(PPP5) 		3 ASP A 271
HIS A 304
HIS A 244
 ZN  A 500 (-2.8A)
NHC  A   1 (-3.5A)
ZN  A 501 ( 3.3A)
 0.64A 2xxgA-3h68A:
undetectable		 2xxgA-3h68A:
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		3 ASP A  63
HIS A  98
HIS A  23
 MN  A 555 (-2.7A)
ACT  A 666 ( 3.9A)
FE  A 444 ( 3.4A)
 0.66A 2xxgA-3ib7A:
undetectable		 2xxgA-3ib7A:
24.27
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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		3 ASP A 278
HIS A 311
HIS A 251
 FE  A 601 (-2.5A)
PO4  A   1 (-3.8A)
FE  A 602 ( 3.2A)
 0.65A 2xxgA-3icfA:
undetectable		 2xxgA-3icfA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		3 ASP A  79
HIS A 112
HIS A  34
 FE  A 602 (-2.6A)
CTN  A 603 ( 3.8A)
MN  A 601 ( 3.4A)
 0.69A 2xxgA-3iveA:
undetectable		 2xxgA-3iveA:
22.16
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		3 ASP A  61
HIS A 102
HIS A  18
 MN  A 342 (-2.9A)
EPE  A 341 ( 3.6A)
MN  A 340 (-3.5A)
 0.69A 2xxgA-3jyfA:
undetectable		 2xxgA-3jyfA:
24.54
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		3 ASP A 302
HIS A 236
HIS A  32
 ZN  A 400 (-2.6A)
ZN  A 401 (-3.5A)
ZN  A 400 (-3.3A)
 0.67A 2xxgA-3k2gA:
undetectable		 2xxgA-3k2gA:
21.15
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		3 ASP A 118
HIS A 151
HIS A  92
 ZN  A 505 (-2.7A)
PO4  A 500 (-3.8A)
FE  A 506 ( 3.3A)
 0.65A 2xxgA-3ll8A:
undetectable		 2xxgA-3ll8A:
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		3 ASP A 304
HIS A 231
HIS A  59
 ZN  A 429 (-2.9A)
ZN  A 430 (-3.6A)
ZN  A 429 (-3.4A)
 0.69A 2xxgA-3mpgA:
undetectable		 2xxgA-3mpgA:
23.20
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.
3obe SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		3 ASP A 243
HIS A 196
HIS A 194
 None
PO4  A 400 (-3.8A)
PO4  A 400 (-4.5A)
 0.66A 2xxgA-3obeA:
undetectable		 2xxgA-3obeA:
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.
3orw PHOSPHOTRIESTERASE

(Geobacillus
kaustophilus) 		PF02126
(PTE) 		3 ASP A 266
HIS A 206
HIS A  23
 CO  A 327 (-2.6A)
CO  A 328 (-3.4A)
CO  A 327 (-3.3A)
 0.67A 2xxgA-3orwA:
undetectable		 2xxgA-3orwA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ovg AMIDOHYDROLASE

(Mycoplasma
synoviae) 		PF02126
(PTE) 		3 ASP A 272
HIS A 214
HIS A  24
 ZN  A 362 (-2.7A)
ZN  A 363 (-3.5A)
ZN  A 362 (-3.6A)
 0.63A 2xxgA-3ovgA:
undetectable		 2xxgA-3ovgA:
23.44
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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		3 ASP A 272
HIS A 215
HIS A  22
 ZN  A 333 ( 2.8A)
ZN  A 334 ( 3.4A)
ZN  A 333 ( 3.3A)
 0.65A 2xxgA-3pnzA:
undetectable		 2xxgA-3pnzA:
23.13
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 ASP C 361
HIS C 273
HIS C 135
 FE  C 775 (-2.5A)
FE  C 774 (-3.3A)
FE  C 775 (-3.5A)
 0.66A 2xxgA-3qgkC:
undetectable		 2xxgA-3qgkC:
20.07
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		3 ASP A 294
HIS A 229
HIS A  23
 CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
 0.66A 2xxgA-3rhgA:
undetectable		 2xxgA-3rhgA:
21.15
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.
3rl3 METALLOPHOSPHOESTERA
SE MPPED2

(Rattus
norvegicus) 		PF00149
(Metallophos) 		3 ASP A  86
HIS A 118
HIS A  67
 MN  A 555 (-2.6A)
5GP  A 951 (-3.8A)
MN  A 444 ( 3.4A)
 0.62A 2xxgA-3rl3A:
undetectable		 2xxgA-3rl3A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		3 ASP A  34
HIS A  62
HIS A  10
 ZN  A 301 ( 3.2A)
None
ZN  A 301 (-3.4A)
 0.66A 2xxgA-3rqzA:
undetectable		 2xxgA-3rqzA:
25.62
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		3 ASP A  31
HIS A 104
HIS A 108
 ZN  A 299 (-2.1A)
ZN  A 299 (-3.4A)
ZN  A 299 (-3.4A)
 0.52A 2xxgA-3rxzA:
undetectable		 2xxgA-3rxzA:
24.02
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 ASP A  60
HIS A 129
HIS A  22
 MN  A 413 ( 2.9A)
GOL  A 454 (-3.8A)
MN  A 412 (-3.4A)
 0.60A 2xxgA-3t1iA:
undetectable		 2xxgA-3t1iA:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.69A 2xxgA-3t8lA:
undetectable		 2xxgA-3t8lA:
21.40
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		3 ASP A  92
HIS A 125
HIS A  66
 MN  A 401 ( 2.8A)
MN  A 402 ( 4.8A)
MN  A 402 (-3.3A)
 0.68A 2xxgA-3v4yA:
undetectable		 2xxgA-3v4yA:
20.60
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		3 ASP A 161
HIS A 162
HIS A 163
 ZN  A 901 (-2.7A)
SO4  A 902 (-3.8A)
ZN  A 901 (-3.3A)
 0.64A 2xxgA-3wajA:
undetectable		 2xxgA-3wajA:
16.69
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.
3wia NITRITE REDUCTASE

(Geobacillus
kaustophilus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A  98
HIS A 100
HIS A 134
 FMT  A 403 ( 3.4A)
CU  A 402 (-3.2A)
CU  A 402 ( 3.2A)
 0.15A 2xxgA-3wiaA:
30.1		 2xxgA-3wiaA:
29.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A  98
HIS A 100
HIS A 134
 CU  A 402 ( 4.0A)
CU  A 402 (-3.2A)
CU  A 402 ( 3.2A)
 0.10A 2xxgA-3wkqA:
29.6		 2xxgA-3wkqA:
30.75
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		3 ASP A  97
HIS A  99
HIS A 134
 CU  A1461 ( 4.1A)
CU  A1461 (-3.2A)
CU  A1461 (-3.2A)
 0.14A 2xxgA-3zbmA:
39.9		 2xxgA-3zbmA:
26.43
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 ASP A 164
HIS A 390
HIS A 368
 ZN  A1556 ( 2.7A)
ZN  A1556 (-3.4A)
None
 0.63A 2xxgA-3zq4A:
undetectable		 2xxgA-3zq4A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		3 ASP A  94
HIS A 127
HIS A  46
 ZN  A1595 (-2.4A)
PO4  A1597 ( 4.0A)
ZN  A1596 (-3.3A)
 0.68A 2xxgA-3zu0A:
undetectable		 2xxgA-3zu0A:
22.00
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.
4dim PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Anaerococcus
prevotii) 		PF01071
(GARS_A) 		3 ASP A 212
HIS A 210
HIS A 225
 None
 0.60A 2xxgA-4dimA:
undetectable		 2xxgA-4dimA:
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 ASP A1065
HIS A1134
HIS A1027
 MN  A1501 ( 3.0A)
None
MN  A1502 (-3.5A)
 0.58A 2xxgA-4fbqA:
undetectable		 2xxgA-4fbqA:
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 3 ASP B  65
HIS B 134
HIS B  27
 MN  B 502 ( 3.0A)
None
MN  B 501 (-3.7A)
 0.47A 2xxgA-4fcxB:
undetectable		 2xxgA-4fcxB:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		3 ASP A  85
HIS A 118
HIS A  38
 ZN  A 602 (-2.8A)
PO4  A 604 (-3.8A)
ZN  A 603 ( 3.4A)
 0.71A 2xxgA-4h1sA:
undetectable		 2xxgA-4h1sA:
24.56
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		3 ASP A 264
HIS A 207
HIS A  22
 ZN  A 401 (-2.4A)
ZN  A 402 (-3.4A)
ZN  A 401 (-3.4A)
 0.69A 2xxgA-4if2A:
undetectable		 2xxgA-4if2A:
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		3 ASP A 451
HIS A 484
HIS A 425
 None
 0.59A 2xxgA-4il1A:
undetectable		 2xxgA-4il1A:
18.69
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.
4j6o METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF00149
(Metallophos) 		3 ASP A 233
HIS A 264
HIS A 189
 MN  A 508 ( 3.2A)
GOL  A 506 ( 3.2A)
MN  A 508 ( 3.5A)
 0.67A 2xxgA-4j6oA:
undetectable		 2xxgA-4j6oA:
23.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4knt MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07732
(Cu-oxidase_3) 		3 ASP A  86
HIS A  88
HIS A 122
 CU  A 407 ( 4.1A)
CU  A 407 (-3.2A)
CU  A 407 (-3.2A)
 0.19A 2xxgA-4kntA:
31.5		 2xxgA-4kntA:
30.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ly4 PEPTIDOGLYCAN
DEACETYLASE

(Helicobacter
pylori) 		PF01522
(Polysacc_deac_1) 		3 ASP A  14
HIS A  86
HIS A  90
 ZN  A 301 (-2.1A)
ZN  A 301 (-3.4A)
ZN  A 301 (-3.4A)
 0.60A 2xxgA-4ly4A:
undetectable		 2xxgA-4ly4A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		3 ASP A  48
HIS A  84
HIS A  10
 MN  A 403 ( 2.6A)
MN  A 402 ( 4.9A)
MN  A 402 (-3.3A)
 0.66A 2xxgA-4m0vA:
undetectable		 2xxgA-4m0vA:
22.28
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		3 ASP A 244
HIS A 326
HIS A 294
 ZN  A 404 (-2.4A)
ZN  A 404 ( 3.3A)
G  A 402 (-3.6A)
 0.70A 2xxgA-4ojxA:
undetectable		 2xxgA-4ojxA:
19.60
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		3 ASP A 127
HIS A 160
HIS A 101
 ZN  A 601 ( 3.7A)
None
FE  A 602 (-3.9A)
 0.57A 2xxgA-4oraA:
undetectable		 2xxgA-4oraA:
21.23
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		3 ASP A 118
HIS A 151
HIS A  92
 ZN  A 601 ( 3.0A)
None
FE  A 602 (-4.1A)
 0.68A 2xxgA-4orbA:
undetectable		 2xxgA-4orbA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdy PARATHION HYDROLASE

(Vulcanisaeta
moutnovskia) 		PF02126
(PTE) 		3 ASP A 257
HIS A 200
HIS A  23
 CO  A 401 ( 2.5A)
CO  A 402 (-3.3A)
CO  A 401 (-3.3A)
 0.69A 2xxgA-4rdyA:
undetectable		 2xxgA-4rdyA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yke MRE11

(Chaetomium
thermophilum) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 ASP A  57
HIS A 125
HIS A  19
 MN  A 602 ( 2.7A)
None
MN  A 601 (-3.4A)
 0.49A 2xxgA-4ykeA:
undetectable		 2xxgA-4ykeA:
20.15
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 ASP A 173
HIS A 399
HIS A 377
 ZN  A1457 ( 2.7A)
ZN  A1457 (-3.5A)
G  E   1 ( 3.9A)
 0.64A 2xxgA-5a0tA:
undetectable		 2xxgA-5a0tA:
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		3 ASP A 136
HIS A 169
HIS A 110
 ZN  A 401 (-2.7A)
MES  A 403 (-3.8A)
FE  A 402 ( 3.3A)
 0.62A 2xxgA-5b8iA:
undetectable		 2xxgA-5b8iA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		3 ASP A  49
HIS A  85
HIS A  10
 MG  A 402 ( 2.7A)
None
MG  A 401 (-3.5A)
 0.44A 2xxgA-5dnyA:
undetectable		 2xxgA-5dnyA:
18.94
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		3 ASP A 110
HIS A 152
HIS A  47
 ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.65A 2xxgA-5ebbA:
undetectable		 2xxgA-5ebbA:
21.03
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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN

(Yersinia pestis) 		PF00149
(Metallophos) 		3 ASP A  84
HIS A 125
HIS A  41
 FE  A 401 (-2.8A)
PO4  A 405 ( 3.9A)
FE  A 402 ( 3.4A)
 0.68A 2xxgA-5eqvA:
undetectable		 2xxgA-5eqvA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		3 ASP A 107
HIS A 149
HIS A  44
 ZN  A 502 ( 2.7A)
ZN  A 503 (-3.8A)
ZN  A 501 (-3.3A)
 0.67A 2xxgA-5fcaA:
undetectable		 2xxgA-5fcaA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		3 ASP A 276
HIS A 317
HIS A 206
 ZN  A 702 (-2.4A)
PO4  A 709 (-4.0A)
ZN  A 701 ( 3.2A)
 0.61A 2xxgA-5ficA:
undetectable		 2xxgA-5ficA:
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 ASP C 363
HIS C 275
HIS C 137
 NI  C 601 ( 2.6A)
NI  C 600 ( 3.3A)
NI  C 601 ( 3.2A)
 0.70A 2xxgA-5fseC:
undetectable		 2xxgA-5fseC:
21.10
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 3 ASP A  85
HIS A 118
HIS A  39
 ZN  A 606 ( 2.7A)
None
ZN  A 605 (-3.3A)
 0.68A 2xxgA-5h7wA:
undetectable		 2xxgA-5h7wA:
22.16
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		3 ASP A 276
HIS A 317
HIS A 206
 ZN  A 702 (-2.3A)
PO4  A 710 (-3.7A)
ZN  A 701 ( 3.3A)
 0.63A 2xxgA-5hqnA:
undetectable		 2xxgA-5hqnA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		3 ASP A 278
HIS A 319
HIS A 208
 ZN  A 714 (-2.6A)
PC  A 727 (-3.7A)
ZN  A 715 ( 3.4A)
 0.66A 2xxgA-5i85A:
undetectable		 2xxgA-5i85A:
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		3 ASP A 404
HIS A 451
HIS A 362
 ZN  A 703 (-2.7A)
D5M  A 701 (-4.1A)
FE  A 702 ( 3.4A)
 0.67A 2xxgA-5iheA:
undetectable		 2xxgA-5iheA:
21.55
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.
5j7m CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Kribbella
flavida) 		PF07883
(Cupin_2) 		3 ASP A  49
HIS A  51
HIS A  89
 NI  A 202 (-3.2A)
NI  A 202 ( 3.5A)
NI  A 202 ( 3.7A)
 0.69A 2xxgA-5j7mA:
undetectable		 2xxgA-5j7mA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jpe SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Candida
albicans) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		3 ASP A 257
HIS A 290
HIS A 231
 FLC  A 501 (-3.8A)
FLC  A 501 (-3.8A)
FLC  A 501 (-3.9A)
 0.70A 2xxgA-5jpeA:
undetectable		 2xxgA-5jpeA:
22.85
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		3 ASP A  93
HIS A 135
HIS A  30
 ZN  A 501 ( 2.6A)
None
ZN  A 502 (-3.3A)
 0.67A 2xxgA-5karA:
undetectable		 2xxgA-5karA:
21.62
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		3 ASP A 699
HIS A 759
HIS A 737
 ZN  A 902 (-2.3A)
ZN  A 902 ( 3.2A)
PO4  A 903 (-4.3A)
 0.59A 2xxgA-5mtzA:
undetectable		 2xxgA-5mtzA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nl9 TRANSCRIPTIONAL
REGULATOR (FUR
FAMILY)

(Leptospira
interrogans) 		no annotation 3 ASP A 103
HIS A  92
HIS A  90
 ZN  A 201 (-2.6A)
ZN  A 201 (-3.3A)
ZN  A 201 (-3.3A)
 0.61A 2xxgA-5nl9A:
undetectable		 2xxgA-5nl9A:
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.
5uki RNA LARIAT
DEBRANCHING ENZYME,
PUTATIVE

(Entamoeba
histolytica) 		no annotation 3 ASP A  45
HIS A  91
HIS A  16
 MN  A 401 ( 2.4A)
None
ZN  A 400 (-3.3A)
 0.60A 2xxgA-5ukiA:
undetectable		 2xxgA-5ukiA:
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.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 3 ASP A  47
HIS A  81
HIS A  15
 ZN  A 401 (-2.7A)
WO4  A 403 (-4.0A)
ZN  A 402 ( 3.4A)
 0.67A 2xxgA-5vjwA:
undetectable		 2xxgA-5vjwA:
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 3 ASP A 256
HIS A 199
HIS A  22
 FE  A 401 (-2.4A)
CO  A 402 (-3.1A)
FE  A 401 (-3.3A)
 0.69A 2xxgA-5w3wA:
undetectable		 2xxgA-5w3wA:
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.
6dk4 FERRIC UPTAKE
REGULATION PROTEIN

(Campylobacter
jejuni) 		no annotation 3 ASP A  97
HIS A  86
HIS A  84
 MN  A 201 (-2.5A)
MN  A 201 (-3.3A)
MN  A 201 (-3.4A)
 0.54A 2xxgA-6dk4A:
undetectable		 2xxgA-6dk4A:
undetectable