SIMILAR PATTERNS OF AMINO ACIDS FOR 5NEL_C_ACTC302

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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		4 HIS A 151
ASP A  94
HIS A  63
HIS A  61
 None
 0.96A 5nelB-1j6oA:
undetectable
5nelC-1j6oA:
4.4		 5nelB-1j6oA:
20.34
5nelC-1j6oA:
20.34
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) 		5 ASP A  73
HIS A 124
HIS A 128
LEU A 220
HIS A 222
 None
 0.70A 5nelB-1ny1A:
21.2
5nelC-1ny1A:
20.9		 5nelB-1ny1A:
30.23
5nelC-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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		4 ASP A  49
HIS A  10
HIS A 208
HIS A 173
 MN  A 401 ( 2.7A)
MN  A 402 (-3.4A)
MN  A 402 (-3.6A)
MN  A 401 (-3.6A)
 0.95A 5nelB-1s8eA:
undetectable
5nelC-1s8eA:
undetectable		 5nelB-1s8eA:
20.06
5nelC-1s8eA:
20.06
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 272
ASP A 195
HIS A 199
LEU A 286
HIS A 282
 None
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
None
FE  A 400 ( 3.3A)
 1.42A 5nelB-1vljA:
undetectable
5nelC-1vljA:
undetectable		 5nelB-1vljA:
21.27
5nelC-1vljA:
21.27
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.
1xm7 HYPOTHETICAL PROTEIN
AQ_1665

(Aquifex
aeolicus) 		PF12850
(Metallophos_2) 		4 ASP A  50
HIS A   9
HIS A 147
HIS A 111
 None
 1.02A 5nelB-1xm7A:
undetectable
5nelC-1xm7A:
undetectable		 5nelB-1xm7A:
24.80
5nelC-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.
1xm7 HYPOTHETICAL PROTEIN
AQ_1665

(Aquifex
aeolicus) 		PF12850
(Metallophos_2) 		4 HIS A   9
HIS A 145
HIS A 111
HIS A 147
 None
 1.04A 5nelB-1xm7A:
undetectable
5nelC-1xm7A:
undetectable		 5nelB-1xm7A:
24.80
5nelC-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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		4 HIS A  69
ASP A 180
HIS A 183
HIS A 215
 ZN  A 301 (-3.4A)
ZN  A 303 ( 3.3A)
ZN  A 302 (-3.2A)
ZN  A 303 (-3.5A)
 1.08A 5nelB-1xp3A:
3.1
5nelC-1xp3A:
3.5		 5nelB-1xp3A:
22.51
5nelC-1xp3A:
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.
1y3t HYPOTHETICAL PROTEIN
YXAG

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		4 HIS A 275
HIS A 234
LEU A 290
HIS A 239
 FE  A 402 (-3.4A)
FE  A 402 (-3.3A)
None
None
 1.00A 5nelB-1y3tA:
undetectable
5nelC-1y3tA:
undetectable		 5nelB-1y3tA:
22.79
5nelC-1y3tA:
22.79
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.
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)
 1.01A 5nelB-1ycgA:
undetectable
5nelC-1ycgA:
undetectable		 5nelB-1ycgA:
22.25
5nelC-1ycgA:
22.25
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 269
ASP A 255
HIS A 206
HIS A 284
 None
 0.96A 5nelB-1zklA:
undetectable
5nelC-1zklA:
undetectable		 5nelB-1zklA:
18.61
5nelC-1zklA:
18.61
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ASP A 229
HIS A 185
LEU A 281
HIS A 325
 None
None
None
PO4  A 401 (-3.8A)
 1.03A 5nelB-1zwxA:
undetectable
5nelC-1zwxA:
undetectable		 5nelB-1zwxA:
23.44
5nelC-1zwxA:
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.
2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE

(Streptococcus
pneumoniae) 		PF01522
(Polysacc_deac_1) 		4 HIS A 326
HIS A 330
LEU A 415
HIS A 417
 ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
None
SO4  A1467 (-3.9A)
 0.26A 5nelB-2c1iA:
25.6
5nelC-2c1iA:
25.7		 5nelB-2c1iA:
23.52
5nelC-2c1iA:
23.52
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		4 ASP A 487
HIS A 539
LEU A 628
HIS A 630
 CO  A1685 ( 4.8A)
CO  A1685 (-3.4A)
None
None
 0.43A 5nelB-2c79A:
23.7
5nelC-2c79A:
23.7		 5nelB-2c79A:
27.11
5nelC-2c79A:
27.11
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) 		5 ASP A  12
HIS A  62
HIS A  66
LEU A 153
HIS A 155
 ACT  A 201 (-3.4A)
ZN  A 200 ( 3.3A)
ZN  A 200 ( 3.3A)
None
ACT  A 201 (-4.4A)
 0.22A 5nelB-2cc0A:
23.7
5nelC-2cc0A:
23.4		 5nelB-2cc0A:
31.95
5nelC-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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 169
HIS A 405
HIS A 306
HIS A 344
 ZN  A1002 (-3.2A)
None
None
ZN  A1001 (-3.3A)
 0.95A 5nelB-2cfzA:
undetectable
5nelC-2cfzA:
undetectable		 5nelB-2cfzA:
16.48
5nelC-2cfzA:
16.48
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 405
HIS A 306
LEU A 122
HIS A 344
 None
None
None
ZN  A1001 (-3.3A)
 0.90A 5nelB-2cfzA:
undetectable
5nelC-2cfzA:
undetectable		 5nelB-2cfzA:
16.48
5nelC-2cfzA:
16.48
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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		4 ASP A 195
HIS A 151
LEU A 252
HIS A 296
 None
 1.03A 5nelB-2ddtA:
undetectable
5nelC-2ddtA:
undetectable		 5nelB-2ddtA:
21.45
5nelC-2ddtA:
21.45
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.
2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8;
Bacillus sp.
RAPc8) 		PF02979
(NHase_alpha)
PF02211
(NHase_beta) 		4 HIS B 158
ASP B   6
LEU A 118
HIS B   5
 None
 1.04A 5nelB-2dppB:
undetectable
5nelC-2dppB:
undetectable		 5nelB-2dppB:
24.56
5nelC-2dppB:
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 HIS A  79
HIS A 135
HIS A 112
HIS A 108
 MG  A 506 (-3.4A)
None
None
MG  A 506 (-4.6A)
 0.82A 5nelB-2dqbA:
undetectable
5nelC-2dqbA:
undetectable		 5nelB-2dqbA:
22.02
5nelC-2dqbA:
22.02
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.
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
 0.79A 5nelB-2e67A:
9.7
5nelC-2e67A:
9.8		 5nelB-2e67A:
19.65
5nelC-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  23
HIS A 209
HIS A 169
 MN  A 555 (-2.6A)
FE  A 444 ( 3.4A)
FE  A 444 ( 3.4A)
MN  A 555 (-3.3A)
 1.07A 5nelB-2hypA:
undetectable
5nelC-2hypA:
undetectable		 5nelB-2hypA:
21.48
5nelC-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) 		5 ASP A  49
HIS A 104
HIS A 108
LEU A 204
HIS A 206
 ACT  A1256 (-3.5A)
ZN  A1255 ( 3.3A)
ZN  A1255 ( 3.2A)
None
ACT  A1256 (-4.3A)
 0.25A 5nelB-2iw0A:
24.3
5nelC-2iw0A:
24.1		 5nelB-2iw0A:
30.45
5nelC-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.
2j13 POLYSACCHARIDE
DEACETYLASE

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		4 ASP A  52
HIS A 103
HIS A 107
LEU A 199
 CAC  A1242 ( 3.3A)
ZN  A1236 (-3.2A)
ZN  A1236 (-3.2A)
ACT  A1241 (-4.7A)
 0.62A 5nelB-2j13A:
18.6
5nelC-2j13A:
18.7		 5nelB-2j13A:
29.48
5nelC-2j13A:
29.48
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.
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
 0.78A 5nelB-2nlyA:
14.6
5nelC-2nlyA:
14.8		 5nelB-2nlyA:
19.85
5nelC-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)
 1.03A 5nelB-2nq9A:
undetectable
5nelC-2nq9A:
undetectable		 5nelB-2nq9A:
21.31
5nelC-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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 HIS A  69
ASP A 179
HIS A 182
HIS A 216
 ZN  A 401 (-3.3A)
ZN  A 402 (-3.2A)
ZN  A 403 (-3.5A)
ZN  A 402 (-3.1A)
 1.05A 5nelB-2nq9A:
undetectable
5nelC-2nq9A:
undetectable		 5nelB-2nq9A:
21.31
5nelC-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.
2pq7 PREDICTED HD
SUPERFAMILY
HYDROLASE

(uncultured
Thermotogales
bacterium) 		PF01966
(HD) 		4 HIS A  32
HIS A 111
HIS A  79
HIS A  36
 PO4  A 223 (-3.6A)
FE  A 220 ( 3.4A)
FE  A 220 (-3.4A)
FE  A 221 ( 3.3A)
 1.08A 5nelB-2pq7A:
undetectable
5nelC-2pq7A:
undetectable		 5nelB-2pq7A:
20.16
5nelC-2pq7A:
20.16
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 HIS A  31
ASP A 171
HIS A 230
HIS A 176
HIS A 152
 NO3  A 501 (-3.9A)
FEO  A 701 ( 2.5A)
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.8A)
FEO  A 701 ( 3.4A)
 1.45A 5nelB-2q9uA:
undetectable
5nelC-2q9uA:
undetectable		 5nelB-2q9uA:
22.38
5nelC-2q9uA:
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 HIS A 202
HIS A 295
HIS A 296
HIS A 325
 SO4  A 435 (-4.2A)
SO4  A 435 (-4.1A)
SO4  A 435 (-3.9A)
FE  A 433 ( 3.5A)
 0.91A 5nelB-2qfrA:
undetectable
5nelC-2qfrA:
undetectable		 5nelB-2qfrA:
19.39
5nelC-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) 		5 ASP A 114
HIS A 166
HIS A 170
LEU A 279
HIS A 281
 PO4  A1313 (-3.4A)
ZN  A1312 ( 3.3A)
ZN  A1312 ( 3.3A)
None
PO4  A1313 (-3.9A)
 0.26A 5nelB-2w3zA:
22.0
5nelC-2w3zA:
22.1		 5nelB-2w3zA:
26.40
5nelC-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.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 5 HIS A 136
HIS A   7
HIS A 201
LEU A 106
HIS A   5
 MN  A1245 ( 3.5A)
MN  A1246 ( 3.3A)
MN  A1247 ( 3.3A)
None
MN  A1246 (-3.4A)
 1.23A 5nelB-2wjfA:
5.1
5nelC-2wjfA:
5.3		 5nelB-2wjfA:
22.34
5nelC-2wjfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.01A 5nelB-2x7vA:
4.3
5nelC-2x7vA:
3.4		 5nelB-2x7vA:
21.50
5nelC-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.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 HIS A  69
ASP A 178
HIS A 181
HIS A 215
 ZN  A1287 (-3.5A)
ZN  A1288 (-3.1A)
ZN  A1289 ( 3.3A)
ZN  A1288 (-3.3A)
 1.07A 5nelB-2x7vA:
4.3
5nelC-2x7vA:
3.4		 5nelB-2x7vA:
21.50
5nelC-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  49
HIS A 283
HIS A 243
 FE  A 556 (-2.8A)
MN  A 555 ( 3.4A)
MN  A 555 ( 3.4A)
FE  A 556 (-3.4A)
 0.99A 5nelB-2xmoA:
undetectable
5nelC-2xmoA:
undetectable		 5nelB-2xmoA:
18.69
5nelC-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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 ASP A  47
HIS A  97
HIS A 101
LEU A 194
HIS A 196
 PO4  A1238 (-3.9A)
CO  A1239 ( 3.3A)
CO  A1239 ( 3.2A)
None
PO4  A1238 (-4.1A)
 0.29A 5nelB-2y8uA:
25.2
5nelC-2y8uA:
25.0		 5nelB-2y8uA:
26.21
5nelC-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.
2zoa PHOSPHOHYDROLASE

(Klebsiella
aerogenes) 		PF00149
(Metallophos) 		4 ASP A  50
HIS A  10
HIS A 197
HIS A 156
 FE2  A 276 (-2.7A)
FE2  A 275 ( 3.6A)
FE2  A 275 ( 3.6A)
FE2  A 276 (-3.6A)
 1.04A 5nelB-2zoaA:
2.5
5nelC-2zoaA:
undetectable		 5nelB-2zoaA:
22.18
5nelC-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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		4 HIS A  69
ASP A 179
HIS A 182
HIS A 214
 FE  A 301 (-3.4A)
FE  A 302 ( 3.2A)
ZN  A 303 ( 3.2A)
FE  A 302 (-3.4A)
 1.08A 5nelB-3aalA:
2.6
5nelC-3aalA:
2.8		 5nelB-3aalA:
21.94
5nelC-3aalA:
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		4 HIS A 108
HIS A 219
HIS A 172
HIS A  69
 PO4  A 272 ( 4.9A)
MN  A 271 ( 3.4A)
MN  A 271 ( 3.4A)
PO4  A 272 (-4.0A)
 0.99A 5nelB-3aamA:
2.2
5nelC-3aamA:
4.2		 5nelB-3aamA:
23.67
5nelC-3aamA:
23.67
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.
3auz DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		4 ASP A  49
HIS A  10
HIS A 188
HIS A 158
 MN  A 402 ( 2.9A)
MN  A 401 (-3.4A)
MN  A 401 (-3.5A)
MN  A 402 (-3.5A)
 0.87A 5nelB-3auzA:
undetectable
5nelC-3auzA:
undetectable		 5nelB-3auzA:
19.10
5nelC-3auzA:
19.10
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.
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 5nelB-3bzjA:
3.8
5nelC-3bzjA:
3.8		 5nelB-3bzjA:
20.66
5nelC-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  36
HIS A 251
HIS A 217
 ZN  A 601 ( 2.7A)
None
None
ZN  A 601 (-3.5A)
 1.00A 5nelB-3c9fA:
undetectable
5nelC-3c9fA:
undetectable		 5nelB-3c9fA:
16.79
5nelC-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.
3ck2 CONSERVED
UNCHARACTERIZED
PROTEIN (PREDICTED
PHOSPHOESTERASE
COG0622)

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		4 ASP A  38
HIS A  13
HIS A 112
HIS A  81
 MN  A 202 ( 2.9A)
MN  A 201 (-3.5A)
MN  A 201 (-3.4A)
MN  A 202 (-3.3A)
 1.02A 5nelB-3ck2A:
undetectable
5nelC-3ck2A:
undetectable		 5nelB-3ck2A:
23.74
5nelC-3ck2A:
23.74
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 HIS A 202
HIS A  19
HIS A 262
LEU A  87
 FE  A 302 (-3.6A)
FE  A 303 ( 3.5A)
ZN  A 301 ( 3.5A)
None
 1.09A 5nelB-3e0fA:
3.8
5nelC-3e0fA:
3.5		 5nelB-3e0fA:
22.26
5nelC-3e0fA:
22.26
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 HIS A 233
HIS A  19
HIS A 262
LEU A  87
 None
FE  A 303 ( 3.5A)
ZN  A 301 ( 3.5A)
None
 1.06A 5nelB-3e0fA:
3.8
5nelC-3e0fA:
3.5		 5nelB-3e0fA:
22.26
5nelC-3e0fA:
22.26
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.
3eqe PUTATIVE CYSTEIN
DIOXYGENASE

(Bacillus
subtilis) 		PF05995
(CDO_I) 		4 HIS A  77
HIS A  75
LEU A 117
HIS A 139
 FE  A 202 (-3.6A)
FE  A 202 (-3.5A)
None
None
 1.09A 5nelB-3eqeA:
undetectable
5nelC-3eqeA:
undetectable		 5nelB-3eqeA:
20.88
5nelC-3eqeA:
20.88
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		4 HIS A 122
HIS A   7
HIS A   5
HIS A  58
 None
MN  A 253 (-3.3A)
MN  A 253 (-3.3A)
MRD  A 257 (-3.5A)
 1.07A 5nelB-3gg7A:
4.3
5nelC-3gg7A:
2.3		 5nelB-3gg7A:
21.55
5nelC-3gg7A:
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.
3guw UNCHARACTERIZED
PROTEIN AF_1765

(Archaeoglobus
fulgidus) 		PF01026
(TatD_DNase) 		4 HIS A 129
HIS A   8
HIS A   6
HIS A  73
 ZN  A 302 (-3.2A)
ZN  A 301 (-3.5A)
ZN  A 301 (-3.0A)
None
 1.08A 5nelB-3guwA:
4.4
5nelC-3guwA:
2.5		 5nelB-3guwA:
22.78
5nelC-3guwA:
22.78
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 ASP A  61
HIS A  18
HIS A 248
HIS A 213
 MG  A 403 ( 2.7A)
MN  A 402 (-3.4A)
MN  A 402 (-3.4A)
MG  A 403 (-3.5A)
 1.03A 5nelB-3gveA:
undetectable
5nelC-3gveA:
undetectable		 5nelB-3gveA:
23.04
5nelC-3gveA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.74A 5nelB-3hftA:
10.7
5nelC-3hftA:
10.7		 5nelB-3hftA:
24.41
5nelC-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  23
HIS A 209
HIS A 169
 MN  A 555 (-2.7A)
FE  A 444 ( 3.4A)
FE  A 444 ( 3.4A)
MN  A 555 (-3.4A)
 1.05A 5nelB-3ib7A:
2.8
5nelC-3ib7A:
2.7		 5nelB-3ib7A:
22.35
5nelC-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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 170
HIS A 321
HIS A 325
HIS A 174
 None
 0.93A 5nelB-3ixwA:
undetectable
5nelC-3ixwA:
undetectable		 5nelB-3ixwA:
16.18
5nelC-3ixwA:
16.18
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 ASP A  61
HIS A  18
HIS A 244
HIS A 210
 MN  A 342 (-2.9A)
MN  A 340 (-3.5A)
MN  A 340 (-3.5A)
MN  A 342 (-3.5A)
 0.99A 5nelB-3jyfA:
undetectable
5nelC-3jyfA:
undetectable		 5nelB-3jyfA:
21.78
5nelC-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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A  56
HIS A  13
HIS A 233
HIS A 191
 MN  A 513 ( 2.7A)
ZN  A 512 (-3.5A)
ZN  A 512 (-3.6A)
MN  A 513 (-3.6A)
 1.03A 5nelB-3qfkA:
undetectable
5nelC-3qfkA:
undetectable		 5nelB-3qfkA:
18.29
5nelC-3qfkA:
18.29
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 HIS A  13
HIS A 231
HIS A 191
HIS A 233
 ZN  A 512 (-3.5A)
MN  A 513 (-3.5A)
MN  A 513 (-3.6A)
ZN  A 512 (-3.6A)
 1.00A 5nelB-3qfkA:
undetectable
5nelC-3qfkA:
undetectable		 5nelB-3qfkA:
18.29
5nelC-3qfkA:
18.29
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 4 HIS A 136
HIS A   7
HIS A 196
LEU A 106
 FE  A 263 (-3.4A)
FE  A 264 ( 3.3A)
MG  A 265 ( 3.3A)
None
 1.06A 5nelB-3qy7A:
4.7
5nelC-3qy7A:
4.8		 5nelB-3qy7A:
21.35
5nelC-3qy7A:
21.35
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.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		4 HIS A 158
ASP A 101
HIS A  70
HIS A  68
 ZN  A 288 ( 3.2A)
None
ACT  A 290 ( 4.5A)
CIT  A 289 (-4.0A)
 0.95A 5nelB-3rcmA:
3.3
5nelC-3rcmA:
4.1		 5nelB-3rcmA:
19.40
5nelC-3rcmA:
19.40
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.
3rl3 METALLOPHOSPHOESTERA
SE MPPED2

(Rattus
norvegicus) 		PF00149
(Metallophos) 		4 ASP A  86
HIS A  67
HIS A 254
HIS A 213
 MN  A 555 (-2.6A)
MN  A 444 ( 3.4A)
MN  A 444 ( 3.5A)
MN  A 555 (-3.5A)
 1.03A 5nelB-3rl3A:
undetectable
5nelC-3rl3A:
undetectable		 5nelB-3rl3A:
24.08
5nelC-3rl3A:
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		4 ASP A  34
HIS A  10
HIS A 149
HIS A 114
 ZN  A 301 ( 3.2A)
ZN  A 301 (-3.4A)
ZN  A 301 (-3.5A)
ZN  A 302 (-4.2A)
 0.95A 5nelB-3rqzA:
undetectable
5nelC-3rqzA:
undetectable		 5nelB-3rqzA:
18.28
5nelC-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
 0.24A 5nelB-3rxzA:
16.7
5nelC-3rxzA:
16.7		 5nelB-3rxzA:
22.48
5nelC-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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ASP A  60
HIS A  22
HIS A 247
HIS A 217
 MN  A 413 ( 2.9A)
MN  A 412 (-3.4A)
MN  A 412 (-3.4A)
MN  A 413 (-3.5A)
 1.00A 5nelB-3t1iA:
undetectable
5nelC-3t1iA:
undetectable		 5nelB-3t1iA:
20.87
5nelC-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.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		4 HIS A 183
HIS A 237
LEU A 194
HIS A 187
 FE  A 310 (-3.4A)
FE  A 309 (-3.4A)
PO4  A 311 ( 4.4A)
PO4  A 311 (-3.9A)
 1.06A 5nelB-3tmcA:
undetectable
5nelC-3tmcA:
undetectable		 5nelB-3tmcA:
21.83
5nelC-3tmcA:
21.83
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.
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)
 0.46A 5nelB-3vusA:
9.6
5nelC-3vusA:
9.7		 5nelB-3vusA:
22.41
5nelC-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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		4 ASP A 235
HIS A 191
LEU A 287
HIS A 331
 SIN  A 402 (-2.7A)
SIN  A 402 (-4.1A)
SIN  A 402 (-4.7A)
SIN  A 402 (-3.8A)
 0.98A 5nelB-3wcxA:
undetectable
5nelC-3wcxA:
undetectable		 5nelB-3wcxA:
21.22
5nelC-3wcxA:
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 ASP A  35
HIS A  93
HIS A  97
LEU A 289
HIS A 291
 ACT  A 903 (-3.5A)
ZN  A 902 ( 3.4A)
ZN  A 902 ( 3.3A)
None
ACT  A 903 (-4.4A)
 0.36A 5nelB-3wx7A:
16.2
5nelC-3wx7A:
16.5		 5nelB-3wx7A:
21.10
5nelC-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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		4 HIS A  72
HIS A  70
LEU A  91
HIS A 192
 NOS  A 501 (-3.7A)
None
NOS  A 501 ( 4.8A)
NOS  A 501 (-4.0A)
 0.95A 5nelB-4f0sA:
4.7
5nelC-4f0sA:
5.2		 5nelB-4f0sA:
19.59
5nelC-4f0sA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5nelB-4f9dA:
9.5
5nelC-4f9dA:
2.7		 5nelB-4f9dA:
17.61
5nelC-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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ASP A1065
HIS A1027
HIS A1252
HIS A1222
 MN  A1501 ( 3.0A)
MN  A1502 (-3.5A)
MN  A1502 (-3.7A)
MN  A1501 (-3.6A)
 0.93A 5nelB-4fbqA:
undetectable
5nelC-4fbqA:
undetectable		 5nelB-4fbqA:
20.36
5nelC-4fbqA:
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 4 ASP B  65
HIS B  27
HIS B 252
HIS B 222
 MN  B 502 ( 3.0A)
MN  B 501 (-3.7A)
MN  B 501 (-3.5A)
MN  B 502 (-3.6A)
 1.01A 5nelB-4fcxB:
undetectable
5nelC-4fcxB:
undetectable		 5nelB-4fcxB:
20.46
5nelC-4fcxB:
20.46
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) 		5 ASP A  80
HIS A 131
HIS A 135
LEU A 223
HIS A 225
 ACT  A 302 (-3.8A)
PXU  A 171 ( 3.8A)
PXU  A 171 (-3.6A)
None
ACT  A 302 (-4.0A)
 0.31A 5nelB-4l1gA:
24.5
5nelC-4l1gA:
24.5		 5nelB-4l1gA:
34.83
5nelC-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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 HIS A  25
HIS A 204
HIS A 206
LEU A  92
 None
MG  A 404 ( 3.4A)
MG  A 404 ( 3.4A)
None
 1.09A 5nelB-4lrsA:
3.8
5nelC-4lrsA:
4.2		 5nelB-4lrsA:
21.67
5nelC-4lrsA:
21.67
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.
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 5nelB-4ly4A:
15.8
5nelC-4ly4A:
15.8		 5nelB-4ly4A:
23.62
5nelC-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.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		4 ASP A  48
HIS A  10
HIS A 224
HIS A 184
 MN  A 403 ( 2.6A)
MN  A 402 (-3.3A)
MN  A 402 (-4.0A)
MN  A 403 (-3.6A)
 0.97A 5nelB-4m0vA:
undetectable
5nelC-4m0vA:
undetectable		 5nelB-4m0vA:
21.16
5nelC-4m0vA:
21.16
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		5 ASP A  39
HIS A  97
HIS A 101
LEU A 293
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 ( 4.9A)
ACT  A 503 (-4.5A)
 0.41A 5nelB-4nz5A:
16.3
5nelC-4nz5A:
16.5		 5nelB-4nz5A:
20.36
5nelC-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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  91
ASP B 252
HIS B 236
HIS B 251
 CU1  B 601 (-3.2A)
None
None
CU1  B 602 (-3.2A)
 1.06A 5nelB-4ouaB:
undetectable
5nelC-4ouaB:
undetectable		 5nelB-4ouaB:
19.49
5nelC-4ouaB:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  91
ASP A 252
HIS A 236
HIS A 251
 CU1  A 401 (-3.3A)
None
None
CU1  A 402 (-3.0A)
 1.06A 5nelB-4ouaA:
undetectable
5nelC-4ouaA:
undetectable		 5nelB-4ouaA:
20.89
5nelC-4ouaA:
20.89
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.
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)
 0.44A 5nelB-4u10A:
9.2
5nelC-4u10A:
9.4		 5nelB-4u10A:
23.23
5nelC-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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		4 ASP A 143
HIS A  49
HIS A 299
HIS A 274
 MN  A 581 ( 2.9A)
MN  A 580 (-3.9A)
MN  A 580 (-3.6A)
MN  A 581 (-3.5A)
 1.03A 5nelB-4uwqA:
undetectable
5nelC-4uwqA:
undetectable		 5nelB-4uwqA:
18.57
5nelC-4uwqA:
18.57
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.
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)
 0.25A 5nelB-4v33A:
3.9
5nelC-4v33A:
3.8		 5nelB-4v33A:
22.47
5nelC-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.
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
 0.30A 5nelB-4wcjA:
9.9
5nelC-4wcjA:
10.1		 5nelB-4wcjA:
21.07
5nelC-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.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 496
HIS A 456
LEU A 560
HIS A 599
 None
 1.01A 5nelB-4z0vA:
undetectable
5nelC-4z0vA:
undetectable		 5nelB-4z0vA:
20.09
5nelC-4z0vA:
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 HIS A 157
HIS A 269
HIS A 302
HIS A 171
 ZN  A 401 ( 3.2A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.5A)
ST9  A 403 (-4.3A)
 1.09A 5nelB-4zyoA:
undetectable
5nelC-4zyoA:
undetectable		 5nelB-4zyoA:
22.43
5nelC-4zyoA:
22.43
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.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		4 ASP A  49
HIS A  10
HIS A 188
HIS A 158
 MG  A 402 ( 2.7A)
MG  A 401 (-3.5A)
MG  A 401 (-3.4A)
MG  A 402 (-4.2A)
 0.92A 5nelB-5dnyA:
undetectable
5nelC-5dnyA:
undetectable		 5nelB-5dnyA:
20.25
5nelC-5dnyA:
20.25
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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN

(Yersinia pestis) 		PF00149
(Metallophos) 		4 ASP A  84
HIS A  41
HIS A 267
HIS A 233
 FE  A 401 (-2.8A)
FE  A 402 ( 3.4A)
FE  A 402 ( 3.4A)
FE  A 401 (-3.4A)
 1.04A 5nelB-5eqvA:
undetectable
5nelC-5eqvA:
undetectable		 5nelB-5eqvA:
24.22
5nelC-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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 HIS A 482
HIS A 206
HIS A 136
HIS A 437
 None
CU  A 601 (-3.2A)
None
None
 1.02A 5nelB-5f75A:
undetectable
5nelC-5f75A:
undetectable		 5nelB-5f75A:
20.14
5nelC-5f75A:
20.14
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		4 ASP A 107
HIS A  44
HIS A 292
HIS A 249
 ZN  A 502 ( 2.7A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.4A)
ZN  A 502 (-3.3A)
 1.01A 5nelB-5fcaA:
undetectable
5nelC-5fcaA:
undetectable		 5nelB-5fcaA:
19.15
5nelC-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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 ASP A  98
HIS A  99
HIS A  94
LEU A  40
 ZN  A 401 (-3.0A)
ZN  A 401 (-3.5A)
ZN  A 400 (-3.6A)
None
 1.09A 5nelB-5i0pA:
undetectable
5nelC-5i0pA:
undetectable		 5nelB-5i0pA:
19.79
5nelC-5i0pA:
19.79
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 HIS A 205
HIS A  94
LEU A  40
HIS A 269
 ZN  A 400 (-3.4A)
ZN  A 400 (-3.6A)
None
ZN  A 401 (-3.5A)
 0.95A 5nelB-5i0pA:
undetectable
5nelC-5i0pA:
undetectable		 5nelB-5i0pA:
19.79
5nelC-5i0pA:
19.79
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		4 ASP A 404
HIS A 362
HIS A 562
HIS A 497
 ZN  A 703 (-2.7A)
FE  A 702 ( 3.4A)
FE  A 702 ( 3.4A)
ZN  A 703 ( 3.5A)
 1.04A 5nelB-5iheA:
undetectable
5nelC-5iheA:
undetectable		 5nelB-5iheA:
19.87
5nelC-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) 		5 ASP A 297
HIS A 346
HIS A 350
LEU A 454
HIS A 456
 ZN  A 502 ( 4.8A)
ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
None
None
 0.45A 5nelB-5jmuA:
27.2
5nelC-5jmuA:
27.0		 5nelB-5jmuA:
31.44
5nelC-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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		4 ASP A 176
HIS A 227
LEU A 333
HIS A 335
 ZN  A 401 ( 4.6A)
ZN  A 401 (-3.0A)
None
None
 0.45A 5nelB-5jp6A:
20.8
5nelC-5jp6A:
20.7		 5nelB-5jp6A:
24.74
5nelC-5jp6A:
24.74
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) 		5 ASP A  32
HIS A  82
HIS A  86
LEU A 171
HIS A 173
 CBS  A 301 (-4.0A)
CBS  A 301 (-3.8A)
CBS  A 301 (-3.7A)
None
CBS  A 301 (-4.3A)
 0.36A 5nelB-5lgcA:
25.0
5nelC-5lgcA:
24.7		 5nelB-5lgcA:
33.47
5nelC-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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		5 HIS A  23
ASP A 166
HIS A 227
HIS A 171
HIS A 147
 PO4  A 503 ( 4.2A)
FEO  A 501 ( 2.5A)
FEO  A 501 ( 3.3A)
PO4  A 503 (-4.5A)
FEO  A 501 ( 3.4A)
 1.19A 5nelB-5lmcA:
undetectable
5nelC-5lmcA:
undetectable		 5nelB-5lmcA:
19.42
5nelC-5lmcA:
19.42
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.
5nc6 PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 5 ASP A  76
HIS A 126
HIS A 130
LEU A 228
HIS A 230
 ACT  A 301 ( 3.5A)
ZN  A 302 ( 3.3A)
ZN  A 302 ( 3.3A)
None
ACT  A 301 (-4.2A)
 0.13A 5nelB-5nc6A:
37.9
5nelC-5nc6A:
38.9		 5nelB-5nc6A:
undetectable
5nelC-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 5 ASP A  76
HIS A 126
HIS A 130
LEU A 228
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
None
ACT  A 302 (-4.0A)
 0.20A 5nelB-5nekA:
37.9
5nelC-5nekA:
38.9		 5nelB-5nekA:
undetectable
5nelC-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 5 ASP B  80
HIS B 131
HIS B 135
LEU B 223
HIS B 225
 5YA  B 302 (-3.7A)
ZN  B 303 ( 3.4A)
ZN  B 303 ( 3.7A)
None
5YA  B 302 (-4.3A)
 0.46A 5nelB-5o6yB:
24.6
5nelC-5o6yB:
24.6		 5nelB-5o6yB:
undetectable
5nelC-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.
5oex -

(-) 		no annotation 4 HIS A 482
HIS A 206
HIS A 136
HIS A 437
 CU  A 604 (-3.2A)
CU  A 601 (-3.2A)
CU  A 603 (-4.5A)
CU  A 604 (-3.3A)
 0.97A 5nelB-5oexA:
undetectable
5nelC-5oexA:
undetectable		 5nelB-5oexA:
22.11
5nelC-5oexA:
22.11
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.
5opt 40S RIBOSOMAL
PROTEIN S4

(Trypanosoma
cruzi) 		no annotation 4 ASP L 140
HIS L  33
LEU L 121
HIS L 142
 None
None
None
C  E 120 ( 3.9A)
 0.93A 5nelB-5optL:
undetectable
5nelC-5optL:
undetectable		 5nelB-5optL:
21.74
5nelC-5optL:
21.74
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.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 4 ASP A  41
HIS A  10
HIS A 197
HIS A 114
 MN  A 301 ( 2.7A)
MN  A 302 (-3.3A)
MN  A 302 (-3.3A)
MN  A 301 (-3.3A)
 1.00A 5nelB-5wlyA:
undetectable
5nelC-5wlyA:
undetectable		 5nelB-5wlyA:
undetectable
5nelC-5wlyA:
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 HIS A 277
ASP A 204
HIS A 208
LEU A 292
HIS A 288
 None
MN  A 501 ( 2.3A)
MN  A 501 ( 3.5A)
None
NDP  A 502 ( 3.0A)
 1.35A 5nelB-5yvsA:
undetectable
5nelC-5yvsA:
undetectable		 5nelB-5yvsA:
undetectable
5nelC-5yvsA:
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.
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)
 1.01A 5nelB-5zhzA:
3.9
5nelC-5zhzA:
4.1		 5nelB-5zhzA:
undetectable
5nelC-5zhzA:
undetectable