SIMILAR PATTERNS OF AMINO ACIDS FOR 5NCD_D_ACTD301_0

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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP C 360
HIS C 272
HIS C 246
HIS C 136
 None
 1.28A 5ncdD-1a5lC:
undetectable		 5ncdD-1a5lC:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 ASP A 173
HIS A 132
HIS A 131
HIS A 171
 None
TSN  A 502 (-3.9A)
TSN  A 502 (-4.0A)
None
 1.47A 5ncdD-1c3rA:
undetectable		 5ncdD-1c3rA:
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP B 362
HIS B 274
HIS B 248
HIS B 138
 HAE  B 800 ( 2.5A)
NI  B3001 ( 3.5A)
NI  B3001 ( 3.4A)
NI  B3002 (-3.3A)
 1.49A 5ncdD-1e9yB:
2.2		 5ncdD-1e9yB:
19.54
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.
1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE

(Escherichia
virus Lambda) 		PF00149
(Metallophos) 		4 ASP A  49
HIS A 139
HIS A 186
HIS A  76
 MN  A1005 (-2.6A)
MN  A1005 (-3.4A)
MN  A1005 ( 3.3A)
SO4  A3001 (-3.9A)
 1.49A 5ncdD-1g5bA:
undetectable		 5ncdD-1g5bA:
19.84
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A  84
HIS A 217
HIS A 252
HIS A 117
 ZN  A 601 (-2.7A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.4A)
CO3  A 602 (-3.8A)
 1.48A 5ncdD-1hp1A:
undetectable		 5ncdD-1hp1A:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ny1 PROBABLE
POLYSACCHARIDE
DEACETYLASE PDAA

(Bacillus
subtilis) 		PF01522
(Polysacc_deac_1) 		4 ASP A  73
HIS A 124
HIS A 128
HIS A 222
 None
 0.72A 5ncdD-1ny1A:
21.0		 5ncdD-1ny1A:
30.23
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.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		4 ASP A  45
HIS A  36
HIS A 178
HIS A 120
 ZN  A 301 ( 2.3A)
ZN  A 301 (-3.3A)
ZN  A 300 ( 4.9A)
ZN  A 300 (-3.5A)
 1.44A 5ncdD-1q3kA:
undetectable		 5ncdD-1q3kA:
24.65
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		4 ASP A 178
HIS A 174
HIS A  88
HIS A 181
 FE  A 402 (-2.7A)
FE  A 401 (-3.4A)
FE  A 401 (-3.3A)
FE  A 402 (-3.5A)
 1.38A 5ncdD-1rcwA:
undetectable		 5ncdD-1rcwA:
21.22
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 ASP 1 271
HIS 1 352
HIS 1 427
HIS 1 304
 MN  1 601 ( 3.0A)
MN  1 601 (-3.6A)
MN  1 601 (-3.4A)
None
 1.46A 5ncdD-1wao1:
2.3		 5ncdD-1wao1:
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.
1xm7 HYPOTHETICAL PROTEIN
AQ_1665

(Aquifex
aeolicus) 		PF12850
(Metallophos_2) 		4 ASP A  50
HIS A   9
HIS A 147
HIS A 111
 None
 1.08A 5ncdD-1xm7A:
undetectable		 5ncdD-1xm7A:
24.80
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 ASP A 163
HIS A 285
HIS A 322
HIS A 201
 MN  A 430 (-2.6A)
MN  A 430 (-3.3A)
MN  A 430 ( 3.2A)
PO4  A 431 (-3.8A)
 1.48A 5ncdD-1xzwA:
undetectable		 5ncdD-1xzwA:
19.72
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ASP A 167
HIS A 228
HIS A 172
HIS A 148
 FEO  A 501 ( 2.4A)
FEO  A 501 ( 3.1A)
None
FEO  A 501 (-2.8A)
 1.05A 5ncdD-1ycgA:
undetectable		 5ncdD-1ycgA:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc0 ACETYL-XYLAN
ESTERASE

(Streptomyces
lividans) 		PF01522
(Polysacc_deac_1) 		4 ASP A  12
HIS A  62
HIS A  66
HIS A 155
 ACT  A 201 (-3.4A)
ZN  A 200 ( 3.3A)
ZN  A 200 ( 3.3A)
ACT  A 201 (-4.4A)
 0.22A 5ncdD-2cc0A:
23.9		 5ncdD-2cc0A:
31.95
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.
2dfj DIADENOSINETETRAPHOS
PHATASE

(Shigella
flexneri) 		PF00149
(Metallophos) 		4 ASP A  37
HIS A 120
HIS A 227
HIS A  66
 MN  A1001 ( 3.0A)
MN  A1001 (-3.4A)
MN  A1001 (-3.2A)
None
 1.49A 5ncdD-2dfjA:
undetectable		 5ncdD-2dfjA:
22.65
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.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		4 ASP A  20
HIS A  60
HIS A 127
HIS A 215
 MG  A 301 (-4.3A)
MG  A 301 (-3.3A)
MG  A 301 (-3.0A)
None
 0.83A 5ncdD-2e67A:
9.5		 5ncdD-2e67A:
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 ASP A  63
HIS A 169
HIS A 170
HIS A  98
 MN  A 555 (-2.6A)
MN  A 555 (-3.3A)
None
CAC  A 400 (-4.0A)
 1.32A 5ncdD-2hypA:
undetectable		 5ncdD-2hypA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		4 ASP A  49
HIS A 104
HIS A 108
HIS A 206
 ACT  A1256 (-3.5A)
ZN  A1255 ( 3.3A)
ZN  A1255 ( 3.2A)
ACT  A1256 (-4.3A)
 0.12A 5ncdD-2iw0A:
24.3		 5ncdD-2iw0A:
30.45
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.
2nly DIVERGENT
POLYSACCHARIDE
DEACETYLASE
HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF04748
(Polysacc_deac_2) 		4 ASP A  39
HIS A  86
HIS A 133
HIS A 220
 ZN  A 300 ( 4.5A)
ZN  A 300 (-3.3A)
ZN  A 300 (-3.2A)
None
 0.79A 5ncdD-2nlyA:
14.8		 5ncdD-2nlyA:
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 ASP A 179
HIS A 182
HIS A 109
HIS A 216
 ZN  A 402 (-3.2A)
ZN  A 403 (-3.5A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.1A)
 1.04A 5ncdD-2nq9A:
undetectable		 5ncdD-2nq9A:
21.31
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 ASP A 164
HIS A 286
HIS A 323
HIS A 202
 ZN  A 434 ( 2.8A)
ZN  A 434 (-3.2A)
ZN  A 434 ( 3.1A)
SO4  A 435 (-4.2A)
 1.46A 5ncdD-2qfrA:
undetectable		 5ncdD-2qfrA:
19.39
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 ASP A 369
HIS A 295
HIS A 296
HIS A 325
 None
SO4  A 435 (-4.1A)
SO4  A 435 (-3.9A)
FE  A 433 ( 3.5A)
 1.42A 5ncdD-2qfrA:
undetectable		 5ncdD-2qfrA:
19.39
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.
2w3z PUTATIVE DEACETYLASE

(Streptococcus
mutans) 		PF01522
(Polysacc_deac_1) 		4 ASP A 114
HIS A 166
HIS A 170
HIS A 281
 PO4  A1313 (-3.4A)
ZN  A1312 ( 3.3A)
ZN  A1312 ( 3.3A)
PO4  A1313 (-3.9A)
 0.17A 5ncdD-2w3zA:
22.2		 5ncdD-2w3zA:
26.40
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.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 ASP A 178
HIS A 181
HIS A 109
HIS A 215
 ZN  A1288 (-3.1A)
ZN  A1289 ( 3.3A)
ZN  A1287 (-3.3A)
ZN  A1288 (-3.3A)
 1.02A 5ncdD-2x7vA:
3.4		 5ncdD-2x7vA:
21.50
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		4 ASP A 101
HIS A 243
HIS A 281
HIS A 135
 FE  A 556 (-2.8A)
FE  A 556 (-3.4A)
FE  A 556 ( 3.3A)
PO4  A1444 (-3.8A)
 1.46A 5ncdD-2xmoA:
2.7		 5ncdD-2xmoA:
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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		4 ASP A  14
HIS A  68
HIS A 117
HIS A 232
 CIT  A1249 (-2.9A)
CIT  A1249 (-4.4A)
CIT  A1249 (-3.9A)
CIT  A1249 (-3.7A)
 1.24A 5ncdD-2xu2A:
11.1		 5ncdD-2xu2A:
18.01
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		4 ASP A  47
HIS A  97
HIS A 101
HIS A 196
 PO4  A1238 (-3.9A)
CO  A1239 ( 3.3A)
CO  A1239 ( 3.2A)
PO4  A1238 (-4.1A)
 0.19A 5ncdD-2y8uA:
25.2		 5ncdD-2y8uA:
26.21
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 ASP A 246
HIS A 603
HIS A 579
HIS A 244
 PO4  A1639 ( 3.8A)
ZN  A1637 ( 3.2A)
PO4  A1639 (-3.9A)
ZN  A1638 ( 3.1A)
 1.39A 5ncdD-2ycbA:
undetectable		 5ncdD-2ycbA:
18.03
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A  83
HIS A 215
HIS A 238
HIS A 116
 ZN  A5648 (-2.7A)
ZN  A5648 (-3.4A)
ZN  A5648 ( 3.3A)
THM  A6510 ( 3.5A)
 1.47A 5ncdD-2z1aA:
undetectable		 5ncdD-2z1aA:
19.34
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.
2z2b DIHYDROOROTASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 ASP A 240
HIS A 167
HIS A 129
HIS A  18
 ZN  A 338 (-2.7A)
ZN  A1337 (-3.2A)
ZN  A1337 (-3.1A)
ZN  A 338 (-3.2A)
 1.46A 5ncdD-2z2bA:
3.4		 5ncdD-2z2bA:
21.96
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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		4 ASP A 114
HIS A 207
HIS A 286
HIS A 150
 ZN  A 402 ( 2.8A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.2A)
None
 1.49A 5ncdD-2zbmA:
undetectable		 5ncdD-2zbmA:
21.99
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.
2zoa PHOSPHOHYDROLASE

(Klebsiella
aerogenes) 		PF00149
(Metallophos) 		4 ASP A  50
HIS A 156
HIS A 195
HIS A  81
 FE2  A 276 (-2.7A)
FE2  A 276 (-3.6A)
FE2  A 276 ( 3.5A)
MLI  A 277 (-4.3A)
 1.47A 5ncdD-2zoaA:
2.4		 5ncdD-2zoaA:
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		4 ASP A 189
HIS A  49
HIS A  81
HIS A 192
 GOL  A 302 (-3.7A)
GOL  A 302 (-4.0A)
GOL  A 302 (-3.9A)
GOL  A 302 (-4.0A)
 1.19A 5ncdD-3bczA:
undetectable		 5ncdD-3bczA:
20.33
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 ASP A 200
HIS A 203
HIS A 143
HIS A 231
 MN  A 281 ( 3.8A)
MN  A 281 (-3.3A)
None
None
 0.97A 5ncdD-3bzjA:
4.0		 5ncdD-3bzjA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		4 ASP A  80
HIS A 217
HIS A 249
HIS A 115
 ZN  A 601 ( 2.7A)
ZN  A 601 (-3.5A)
ZN  A 601 ( 3.4A)
FMT  A 607 (-4.0A)
 1.45A 5ncdD-3c9fA:
undetectable		 5ncdD-3c9fA:
16.79
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASP A 658
HIS A 657
HIS A 694
HIS A 661
 None
 1.23A 5ncdD-3ecqA:
3.3		 5ncdD-3ecqA:
10.56
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		4 ASP A 365
HIS A 248
HIS A 218
HIS A  68
 ACY  A 481 ( 2.5A)
ZN  A 484 (-3.3A)
ZN  A 484 ( 3.0A)
ACY  A 481 (-4.8A)
 1.49A 5ncdD-3gipA:
2.1		 5ncdD-3gipA:
18.96
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.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Homo sapiens) 		PF00149
(Metallophos)
PF08321
(PPP5) 		4 ASP A 271
HIS A 352
HIS A 427
HIS A 304
 ZN  A 500 (-2.8A)
ZN  A 500 ( 3.2A)
ZN  A 500 ( 3.2A)
NHC  A   1 (-3.5A)
 1.49A 5ncdD-3h68A:
undetectable		 5ncdD-3h68A:
21.50
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.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 4 ASP A  43
HIS A  91
HIS A 126
HIS A 207
 EDO  A 261 (-3.4A)
ZN  A 257 ( 3.4A)
ZN  A 257 ( 3.4A)
EDO  A 261 (-3.8A)
 0.75A 5ncdD-3hftA:
10.3		 5ncdD-3hftA:
24.41
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 ASP A  63
HIS A 169
HIS A 207
HIS A  98
 MN  A 555 (-2.7A)
MN  A 555 (-3.4A)
MN  A 555 ( 3.3A)
ACT  A 666 ( 3.9A)
 1.48A 5ncdD-3ib7A:
undetectable		 5ncdD-3ib7A:
22.35
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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		4 ASP A 278
HIS A 359
HIS A 434
HIS A 311
 FE  A 601 (-2.5A)
FE  A 601 (-3.1A)
FE  A 601 ( 2.9A)
PO4  A   1 (-3.8A)
 1.49A 5ncdD-3icfA:
undetectable		 5ncdD-3icfA:
20.28
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 ASP A  61
HIS A 210
HIS A 242
HIS A 102
 MN  A 342 (-2.9A)
MN  A 342 (-3.5A)
MN  A 342 ( 3.5A)
EPE  A 341 ( 3.6A)
 1.48A 5ncdD-3jyfA:
undetectable		 5ncdD-3jyfA:
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.
3jze DIHYDROOROTASE

(Salmonella
enterica) 		PF01979
(Amidohydro_1) 		4 ASP A 251
HIS A 178
HIS A 140
HIS A  19
 ZN  A 401 (-2.7A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 3.3A)
 1.45A 5ncdD-3jzeA:
3.6		 5ncdD-3jzeA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 118
HIS A 199
HIS A 281
HIS A 151
 ZN  A 505 (-2.7A)
ZN  A 505 (-3.3A)
ZN  A 505 ( 3.3A)
PO4  A 500 (-3.8A)
 1.49A 5ncdD-3ll8A:
undetectable		 5ncdD-3ll8A:
22.57
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.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		4 ASP A  40
HIS A  31
HIS A 167
HIS A 110
 NI  A 300 (-2.4A)
NI  A 300 (-3.4A)
UNL  A 350 ( 4.4A)
UNL  A 350 ( 4.3A)
 1.45A 5ncdD-3no4A:
undetectable		 5ncdD-3no4A:
21.71
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP C 361
HIS C 273
HIS C 247
HIS C 137
 FE  C 775 (-2.5A)
FE  C 774 (-3.3A)
FE  C 774 (-3.4A)
FE  C 775 (-3.3A)
 1.50A 5ncdD-3qgkC:
undetectable		 5ncdD-3qgkC:
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		4 ASP A  34
HIS A 114
HIS A 147
HIS A  62
 ZN  A 301 ( 3.2A)
ZN  A 302 (-4.2A)
ZN  A 302 (-3.3A)
None
 1.47A 5ncdD-3rqzA:
undetectable		 5ncdD-3rqzA:
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		4 ASP A  29
HIS A 104
HIS A 108
HIS A 239
 ZN  A 299 ( 4.4A)
ZN  A 299 (-3.4A)
ZN  A 299 (-3.4A)
None
 0.26A 5ncdD-3rxzA:
16.8		 5ncdD-3rxzA:
22.48
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 ASP A 240
HIS A 178
HIS A 130
HIS A 326
 None
CUK  A 702 (-3.1A)
CUK  A 702 (-3.2A)
CUK  A 702 (-3.1A)
 1.42A 5ncdD-3sbqA:
undetectable		 5ncdD-3sbqA:
16.41
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ASP A  60
HIS A 217
HIS A 245
HIS A 129
 MN  A 413 ( 2.9A)
MN  A 413 (-3.5A)
MN  A 413 (-3.4A)
GOL  A 454 (-3.8A)
 1.47A 5ncdD-3t1iA:
undetectable		 5ncdD-3t1iA:
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 120
HIS A 123
HIS A  25
HIS A 128
 None
 1.19A 5ncdD-3twoA:
2.1		 5ncdD-3twoA:
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A  92
HIS A 173
HIS A 248
HIS A 125
 MN  A 401 ( 2.8A)
MN  A 401 (-3.3A)
MN  A 401 (-3.3A)
MN  A 402 ( 4.8A)
 1.47A 5ncdD-3v4yA:
undetectable		 5ncdD-3v4yA:
22.09
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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		4 ASP A 114
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.45A 5ncdD-3vusA:
9.6		 5ncdD-3vusA:
22.41
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		4 ASP A  35
HIS A  93
HIS A  97
HIS A 291
 ACT  A 903 (-3.5A)
ZN  A 902 ( 3.4A)
ZN  A 902 ( 3.3A)
ACT  A 903 (-4.4A)
 0.24A 5ncdD-3wx7A:
16.4		 5ncdD-3wx7A:
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.
487d PROTEIN (50S L6
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF00347
(Ribosomal_L6) 		4 ASP J  39
HIS J  60
HIS J  59
HIS J  37
 None
 1.27A 5ncdD-487dJ:
undetectable		 5ncdD-487dJ:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 ASP A 191
HIS A 142
HIS A 141
HIS A 189
 None
B3N  A 700 (-3.7A)
B3N  A 700 (-3.9A)
GOL  A 802 (-4.1A)
 1.48A 5ncdD-4bz7A:
undetectable		 5ncdD-4bz7A:
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		4 ASP A 114
HIS A 184
HIS A 189
HIS A  55
 ACY  A 702 (-3.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
 0.56A 5ncdD-4f9dA:
9.3		 5ncdD-4f9dA:
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A  85
HIS A 220
HIS A 243
HIS A 118
 ZN  A 602 (-2.8A)
ZN  A 602 (-3.3A)
ZN  A 602 ( 3.2A)
PO4  A 604 (-3.8A)
 1.47A 5ncdD-4h1sA:
undetectable		 5ncdD-4h1sA:
17.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		4 ASP A  80
HIS A 131
HIS A 135
HIS A 225
 ACT  A 302 (-3.8A)
PXU  A 171 ( 3.8A)
PXU  A 171 (-3.6A)
ACT  A 302 (-4.0A)
 0.28A 5ncdD-4l1gA:
24.7		 5ncdD-4l1gA:
34.83
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.
4ly4 PEPTIDOGLYCAN
DEACETYLASE

(Helicobacter
pylori) 		PF01522
(Polysacc_deac_1) 		4 ASP A  12
HIS A  86
HIS A  90
HIS A 247
 ZN  A 301 (-4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-3.4A)
None
 0.30A 5ncdD-4ly4A:
16.0		 5ncdD-4ly4A:
23.62
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		4 ASP A  39
HIS A  97
HIS A 101
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 (-4.5A)
 0.25A 5ncdD-4nz5A:
16.5		 5ncdD-4nz5A:
20.36
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 127
HIS A 208
HIS A 290
HIS A 160
 ZN  A 601 ( 3.7A)
None
ZN  A 601 ( 3.5A)
None
 1.47A 5ncdD-4oraA:
undetectable		 5ncdD-4oraA:
18.51
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		4 ASP A 118
HIS A 199
HIS A 281
HIS A 151
 ZN  A 601 ( 3.0A)
ZN  A 601 (-3.5A)
ZN  A 601 (-3.6A)
None
 1.45A 5ncdD-4orbA:
undetectable		 5ncdD-4orbA:
18.13
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 ASP A 284
HIS A 190
HIS A 132
HIS A 321
 ZN  A 502 (-2.5A)
ZN  A 502 (-3.5A)
None
3PE  A 503 (-3.8A)
 1.31A 5ncdD-4qn9A:
undetectable		 5ncdD-4qn9A:
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.
4u10 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Aggregatibacter
actinomycetemcomitans) 		PF01522
(Polysacc_deac_1) 		4 ASP A  98
HIS A 168
HIS A 173
HIS A  34
 ZN  A 402 ( 3.1A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 402 ( 3.3A)
 0.46A 5ncdD-4u10A:
3.6		 5ncdD-4u10A:
23.23
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.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		4 ASP A 205
HIS A 264
HIS A 268
HIS A 150
 ACT  A1361 (-3.5A)
ZN  A1362 ( 3.3A)
ZN  A1362 ( 3.3A)
ACT  A1361 (-4.0A)
 0.31A 5ncdD-4v33A:
3.8		 5ncdD-4v33A:
22.47
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  53
HIS A  48
HIS A  44
HIS A  51
 None
8ID  A 403 (-4.0A)
8ID  A 403 (-3.5A)
None
 1.38A 5ncdD-4w6zA:
undetectable		 5ncdD-4w6zA:
21.19
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		4 ASP A 114
HIS A 173
HIS A 178
HIS A  44
 ZN  A 301 ( 4.8A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
 0.28A 5ncdD-4wcjA:
4.6		 5ncdD-4wcjA:
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		4 ASP A 265
HIS A 155
HIS A 157
HIS A 268
 ZN  A 401 ( 2.5A)
ZN  A 402 (-3.5A)
ZN  A 402 (-3.4A)
None
 1.49A 5ncdD-4xukA:
undetectable		 5ncdD-4xukA:
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 ASP A 207
HIS A 210
HIS A 215
HIS A 167
 FE  A1001 ( 2.7A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 3.6A)
 1.17A 5ncdD-5ao0A:
undetectable		 5ncdD-5ao0A:
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 ASP A 136
HIS A 217
HIS A 299
HIS A 169
 ZN  A 401 (-2.7A)
ZN  A 401 (-3.5A)
ZN  A 401 ( 3.4A)
MES  A 403 (-3.8A)
 1.50A 5ncdD-5b8iA:
undetectable		 5ncdD-5b8iA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN

(Yersinia pestis) 		PF00149
(Metallophos) 		4 ASP A  84
HIS A 233
HIS A 265
HIS A 125
 FE  A 401 (-2.8A)
FE  A 401 (-3.4A)
FE  A 401 ( 3.3A)
PO4  A 405 ( 3.9A)
 1.47A 5ncdD-5eqvA:
undetectable		 5ncdD-5eqvA:
24.22
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		4 ASP A 107
HIS A 249
HIS A 290
HIS A 149
 ZN  A 502 ( 2.7A)
ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
ZN  A 503 (-3.8A)
 1.49A 5ncdD-5fcaA:
2.0		 5ncdD-5fcaA:
19.15
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 4 ASP A  85
HIS A 220
HIS A 243
HIS A 118
 ZN  A 606 ( 2.7A)
ZN  A 606 (-3.1A)
ZN  A 606 (-3.2A)
None
 1.48A 5ncdD-5h7wA:
undetectable		 5ncdD-5h7wA:
18.22
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.
5hee PUTATIVE
UNCHARACTERIZED
PROTEIN, TK2203
PROTEIN

(Thermococcus
kodakarensis) 		PF02900
(LigB) 		4 ASP A 172
HIS A  10
HIS A  48
HIS A 175
 ZN  A1001 ( 4.5A)
ZN  A1001 (-3.2A)
ZN  A1001 (-3.3A)
ZN  A1001 ( 4.8A)
 1.09A 5ncdD-5heeA:
undetectable		 5ncdD-5heeA:
22.50
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		4 ASP A 221
HIS A 114
HIS A 116
HIS A 224
 ZN  A 401 ( 2.4A)
ZN  A 402 (-3.4A)
ZN  A 402 (-3.2A)
None
 1.47A 5ncdD-5hifA:
undetectable		 5ncdD-5hifA:
24.78
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 278
HIS A 425
HIS A 457
HIS A 319
 ZN  A 714 (-2.6A)
ZN  A 714 (-3.2A)
ZN  A 714 (-3.2A)
PC  A 727 (-3.7A)
 1.49A 5ncdD-5i85A:
undetectable		 5ncdD-5i85A:
16.30
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		4 ASP A 404
HIS A 497
HIS A 560
HIS A 451
 ZN  A 703 (-2.7A)
ZN  A 703 ( 3.5A)
ZN  A 703 ( 3.3A)
D5M  A 701 (-4.1A)
 1.49A 5ncdD-5iheA:
undetectable		 5ncdD-5iheA:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jmu PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

([Eubacterium]
rectale) 		PF01522
(Polysacc_deac_1) 		4 ASP A 297
HIS A 346
HIS A 350
HIS A 456
 ZN  A 502 ( 4.8A)
ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
None
 0.26A 5ncdD-5jmuA:
27.2		 5ncdD-5jmuA:
31.44
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.
5jpe SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Candida
albicans) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A 257
HIS A 338
HIS A 413
HIS A 290
 FLC  A 501 (-3.8A)
None
FLC  A 501 (-4.0A)
FLC  A 501 (-3.8A)
 1.43A 5ncdD-5jpeA:
undetectable		 5ncdD-5jpeA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		4 ASP A  32
HIS A  82
HIS A  86
HIS A 173
 CBS  A 301 (-4.0A)
CBS  A 301 (-3.8A)
CBS  A 301 (-3.7A)
CBS  A 301 (-4.3A)
 0.28A 5ncdD-5lgcA:
25.0		 5ncdD-5lgcA:
33.47
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.
5nc6 PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 4 ASP A  76
HIS A 126
HIS A 130
HIS A 230
 ACT  A 301 ( 3.5A)
ZN  A 302 ( 3.3A)
ZN  A 302 ( 3.3A)
ACT  A 301 (-4.2A)
 0.26A 5ncdD-5nc6A:
38.3		 5ncdD-5nc6A:
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.
5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 4 ASP A  76
HIS A 126
HIS A 130
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
ACT  A 302 (-4.0A)
 0.22A 5ncdD-5nekA:
38.2		 5ncdD-5nekA:
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.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 4 ASP B  80
HIS B 131
HIS B 135
HIS B 225
 5YA  B 302 (-3.7A)
ZN  B 303 ( 3.4A)
ZN  B 303 ( 3.7A)
5YA  B 302 (-4.3A)
 0.44A 5ncdD-5o6yB:
24.8		 5ncdD-5o6yB:
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 4 ASP A  45
HIS A 180
HIS A 230
HIS A  91
 MN  A 401 ( 2.4A)
MN  A 401 (-3.3A)
MN  A 401 (-3.4A)
None
 1.48A 5ncdD-5ukiA:
undetectable		 5ncdD-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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 ASP A 246
HIS A 173
HIS A 135
HIS A  15
 ZN  A 402 (-2.7A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
 1.47A 5ncdD-5vgmA:
3.5		 5ncdD-5vgmA:
21.85
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		4 ASP A 322
HIS A 271
HIS A 492
HIS A 366
 CA  A 703 (-2.1A)
CA  A 703 (-3.2A)
DJN  A 702 (-3.5A)
CA  A 703 ( 3.3A)
 1.31A 5ncdD-5wzrA:
3.9		 5ncdD-5wzrA:
16.77
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.
5zhz PROBABLE
ENDONUCLEASE 4

(Mycobacterium
tuberculosis) 		no annotation 4 ASP A 162
HIS A 165
HIS A  96
HIS A 191
 ZN  A 305 ( 3.1A)
ZN  A 306 ( 3.2A)
ZN  A 304 ( 3.1A)
ZN  A 305 (-3.2A)
 1.03A 5ncdD-5zhzA:
3.9		 5ncdD-5zhzA:
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 ASP A  68
HIS A  64
HIS A 359
HIS A  72
 None
 1.35A 5ncdD-6bz0A:
undetectable		 5ncdD-6bz0A:
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.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 4 ASP A 251
HIS A 178
HIS A 140
HIS A  19
 ZN  A 402 ( 2.8A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 3.3A)
 1.46A 5ncdD-6ctyA:
3.7		 5ncdD-6ctyA:
undetectable