SIMILAR PATTERNS OF AMINO ACIDS FOR 3NVC_A_SALA370

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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 GLN A 494
ARG A 349
HIS A 375
ASP A 379
 CBS  A1001 ( 4.2A)
CBS  A1001 (-3.0A)
None
None
 0.92A 3nvcA-1c7tA:
undetectable		 3nvcA-1c7tA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 HIS A 235
HIS A 211
HIS A  12
ASP A 293
 PRH  A 401 (-4.0A)
ZN  A 501 ( 3.4A)
ZN  A 501 ( 3.3A)
PRH  A 401 (-3.5A)
 0.80A 3nvcA-1krmA:
undetectable		 3nvcA-1krmA:
20.10
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.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLN A  77
HIS A 405
HIS A 401
ASP A 103
 None
ZN  A 500 (-3.2A)
ZN  A 500 (-3.4A)
None
 1.25A 3nvcA-1l6jA:
undetectable		 3nvcA-1l6jA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLN A 108
HIS A 203
HIS A 175
HIS A 190
 None
ZN  A 501 (-3.2A)
ZN  A 501 (-3.4A)
ZN  A 501 (-3.4A)
 0.90A 3nvcA-1l6jA:
undetectable		 3nvcA-1l6jA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrh AUXIN-BINDING
PROTEIN 1

(Zea mays) 		PF02041
(Auxin_BP) 		4 GLN A  46
HIS A  57
HIS A  59
HIS A 106
 NLA  A5190 (-3.1A)
ZN  A 180 ( 3.4A)
ZN  A 180 ( 3.5A)
ZN  A 180 (-3.3A)
 1.10A 3nvcA-1lrhA:
10.6		 3nvcA-1lrhA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrh AUXIN-BINDING
PROTEIN 1

(Zea mays) 		PF02041
(Auxin_BP) 		4 GLN A  46
HIS A  59
HIS A 106
HIS A  57
 NLA  A5190 (-3.1A)
ZN  A 180 ( 3.5A)
ZN  A 180 (-3.3A)
ZN  A 180 ( 3.4A)
 1.16A 3nvcA-1lrhA:
10.6		 3nvcA-1lrhA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		4 GLN A 164
HIS A  44
HIS A  47
ASP A 161
 BAL  A 802 ( 4.6A)
SO4  A 601 (-3.9A)
SO4  A 601 ( 4.9A)
None
 1.22A 3nvcA-1n2oA:
0.0		 3nvcA-1n2oA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		4 GLN A 164
HIS A  47
HIS A  44
ASP A 161
 BAL  A 802 ( 4.6A)
SO4  A 601 ( 4.9A)
SO4  A 601 (-3.9A)
None
 0.97A 3nvcA-1n2oA:
0.0		 3nvcA-1n2oA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 HIS A 256
HIS A 193
HIS A 270
ASP A 100
 FE  A 900 (-4.4A)
FE  A 900 ( 3.4A)
FE  A 900 ( 3.4A)
NAP  A1800 (-2.8A)
 0.81A 3nvcA-1o2dA:
0.0		 3nvcA-1o2dA:
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 GLN A 558
HIS A  67
HIS A  64
ASP A 557
 MRC  A1993 (-3.5A)
MRC  A1993 (-4.1A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.2A)
 1.13A 3nvcA-1qu2A:
undetectable		 3nvcA-1qu2A:
18.09
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.
1rqb TRANSCARBOXYLASE 5S
SUBUNIT

(Propionibacterium
freudenreichii) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 GLN A  89
HIS A 251
ARG A 124
HIS A 215
 None
None
None
CO  A 529 (-3.4A)
 1.18A 3nvcA-1rqbA:
undetectable		 3nvcA-1rqbA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		4 GLN A 149
HIS A  32
HIS A  29
ASP A 146
 GOL  A1400 (-3.1A)
GOL  A1300 (-4.6A)
CL  A1002 (-4.8A)
None
 1.04A 3nvcA-1ufvA:
undetectable		 3nvcA-1ufvA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm6 DIHYDRODIPICOLINATE
REDUCTASE

(Thermotoga
maritima) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 HIS A 164
ARG A 156
HIS A 127
ASP A 133
 None
None
ACT  A 217 (-4.2A)
NAD  A 300 ( 3.9A)
 1.12A 3nvcA-1vm6A:
undetectable		 3nvcA-1vm6A:
20.54
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.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		4 GLN A 159
HIS A 170
ARG A  79
ASP A 178
 None
 1.20A 3nvcA-1vpaA:
undetectable		 3nvcA-1vpaA:
20.05
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 HIS A 681
HIS A 659
HIS A 391
ASP A 737
 CF5  A 841 (-4.2A)
ZN  A 840 ( 3.1A)
ZN  A 840 ( 3.2A)
CF5  A 841 (-2.5A)
 0.78A 3nvcA-2a3lA:
undetectable		 3nvcA-2a3lA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		4 HIS A 266
HIS A 239
HIS A  55
ASP A 324
 None
CO  A1000 (-3.4A)
CO  A1000 (-3.3A)
None
 0.78A 3nvcA-2amxA:
undetectable		 3nvcA-2amxA:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		6 GLN A  93
HIS A 104
HIS A 106
ARG A 112
HIS A 145
ASP A 159
 None
FE  A1001 (-3.2A)
FE  A1001 (-3.3A)
None
FE  A1001 (-3.4A)
None
 0.72A 3nvcA-2d40A:
38.2		 3nvcA-2d40A:
34.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		5 GLN A  93
HIS A 106
ARG A 112
HIS A 145
ASP A 159
 None
FE  A1001 (-3.3A)
None
FE  A1001 (-3.4A)
None
 1.45A 3nvcA-2d40A:
38.2		 3nvcA-2d40A:
34.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		4 HIS A 145
HIS A 104
HIS A 106
ASP A 159
 FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
FE  A1001 (-3.3A)
None
 1.21A 3nvcA-2d40A:
38.2		 3nvcA-2d40A:
34.05
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 HIS A 112
HIS A 135
HIS A 117
ASP A 196
 None
None
None
MG  A 506 (-2.4A)
 1.09A 3nvcA-2dqbA:
undetectable		 3nvcA-2dqbA:
23.31
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.
2e1b 216AA LONG
HYPOTHETICAL
ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 HIS A  99
HIS A 103
ARG A 170
HIS A 186
 ZN  A 300 (-3.9A)
ZN  A 300 (-4.4A)
None
None
 1.12A 3nvcA-2e1bA:
undetectable		 3nvcA-2e1bA:
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 GLN A 182
HIS A  13
HIS A  47
HIS A 214
 None
ZN  A1222 (-3.3A)
ZN  A1221 (-3.1A)
ZN  A1221 (-3.3A)
 0.76A 3nvcA-2hpiA:
undetectable		 3nvcA-2hpiA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		4 GLN A 178
HIS A 110
HIS A 113
ASP A  14
 None
ACT  A1235 ( 4.6A)
ZN  A1234 ( 3.2A)
ACT  A1235 (-2.8A)
 1.16A 3nvcA-2ixdA:
undetectable		 3nvcA-2ixdA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 GLN A  83
HIS A 243
ARG A 118
HIS A 207
 None
None
None
ZN  A 601 (-3.4A)
 1.20A 3nvcA-2nx9A:
undetectable		 3nvcA-2nx9A:
23.33
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.
2uwf ALKALINE ACTIVE
ENDOXYLANASE

(Bacillus
halodurans) 		PF00331
(Glyco_hydro_10) 		4 HIS A 366
HIS A 364
ARG A 357
ASP A 360
 CU  A1367 (-3.2A)
None
None
CA  A1368 (-3.0A)
 0.99A 3nvcA-2uwfA:
undetectable		 3nvcA-2uwfA:
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.
2whk MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus
subtilis) 		PF02156
(Glyco_hydro_26) 		4 GLN A 101
HIS A 105
ARG A 163
HIS A 166
 None
TRS  A1338 (-3.9A)
TRS  A1338 ( 4.7A)
TRS  A1338 (-3.7A)
 1.24A 3nvcA-2whkA:
undetectable		 3nvcA-2whkA:
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 HIS A  13
HIS A 226
HIS A  38
ASP A 116
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
None
 1.12A 3nvcA-2z4gA:
undetectable		 3nvcA-2z4gA:
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 HIS A 600
HIS A 604
ARG A 692
HIS A 707
 ZN  A 902 (-3.2A)
ZN  A 902 (-3.4A)
None
ZN  A 902 (-3.1A)
 0.90A 3nvcA-2ztgA:
undetectable		 3nvcA-2ztgA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 HIS A 613
HIS A 617
ARG A 705
HIS A 721
 ZN  A 901 (-3.5A)
ZN  A 901 (-3.4A)
None
ZN  A 901 ( 4.7A)
 0.86A 3nvcA-2zzgA:
undetectable		 3nvcA-2zzgA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		4 GLN A 246
HIS A  60
HIS A  58
HIS A 148
 None
ZN  A 262 (-3.3A)
ZN  A 262 (-3.4A)
ZN  A 262 (-3.3A)
 1.21A 3nvcA-3adrA:
undetectable		 3nvcA-3adrA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		4 GLN A 154
HIS A  38
HIS A  35
ASP A 151
 PAJ  A 501 (-3.1A)
PAJ  A 501 (-4.2A)
PAJ  A 501 (-4.3A)
PAJ  A 501 (-3.8A)
 1.02A 3nvcA-3ag6A:
undetectable		 3nvcA-3ag6A:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 GLN A 108
HIS A 119
HIS A 121
ASP A 175
 None
FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
None
 1.07A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 GLN A 279
HIS A 290
HIS A 292
HIS A 330
 None
FE2  A 500 (-3.5A)
FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
 0.60A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 HIS A 119
HIS A 121
HIS A 160
ASP A 175
 FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
None
 0.77A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 HIS A 160
HIS A 119
HIS A 121
ASP A 175
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
None
 1.20A 3nvcA-3bu7A:
40.2		 3nvcA-3bu7A:
31.50
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		4 GLN A 229
HIS A 158
HIS A 161
ASP A  18
 None
None
ZN  A 300 (-3.4A)
ZN  A 300 ( 4.8A)
 1.14A 3nvcA-3dfiA:
undetectable		 3nvcA-3dfiA:
23.25
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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		4 HIS A 202
HIS A 204
ARG A  13
ASP A  14
 None
 0.88A 3nvcA-3eegA:
undetectable		 3nvcA-3eegA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		4 HIS A 252
HIS A 225
HIS A  42
ASP A 310
 MCF  A 372 (-4.1A)
ZN  A 371 ( 3.4A)
ZN  A 371 (-3.3A)
MCF  A 372 (-2.9A)
 0.88A 3nvcA-3ewdA:
undetectable		 3nvcA-3ewdA:
21.39
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.
3f7l COPPER,ZINC
SUPEROXIDE DISMUTASE

(Alvinella
pompejana) 		PF00080
(Sod_Cu) 		4 GLN A 131
HIS A  61
HIS A  44
HIS A  69
 None
ZN  A 203 (-3.1A)
CU  A 202 ( 2.9A)
ZN  A 203 (-3.1A)
 1.07A 3nvcA-3f7lA:
undetectable		 3nvcA-3f7lA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		4 GLN A  26
HIS A  52
HIS A  91
HIS A  50
 None
CO  A 244 (-3.3A)
CO  A 244 (-3.3A)
CO  A 244 (-3.3A)
 1.23A 3nvcA-3h7jA:
17.9		 3nvcA-3h7jA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hfq UNCHARACTERIZED
PROTEIN LP_2219

(Lactobacillus
plantarum) 		PF10282
(Lactonase) 		4 GLN A 305
HIS A 144
HIS A 191
ARG A 259
 None
PO4  A 402 (-3.8A)
None
PO4  A 402 (-2.5A)
 1.18A 3nvcA-3hfqA:
undetectable		 3nvcA-3hfqA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		4 HIS A 180
HIS A 182
HIS A 184
ASP A 119
 ZN  A   1 (-3.1A)
ZN  A   1 (-3.3A)
ZN  A   1 (-3.2A)
None
 1.18A 3nvcA-3i9fA:
undetectable		 3nvcA-3i9fA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		4 HIS A 182
HIS A 184
HIS A 180
ASP A 119
 ZN  A   1 (-3.3A)
ZN  A   1 (-3.2A)
ZN  A   1 (-3.1A)
None
 1.13A 3nvcA-3i9fA:
undetectable		 3nvcA-3i9fA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 HIS A 215
ARG A 207
HIS A 154
ASP A 160
 None
None
UNX  A 268 ( 4.4A)
NAP  A 300 (-3.6A)
 1.16A 3nvcA-3ijpA:
undetectable		 3nvcA-3ijpA:
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		4 GLN A 153
HIS A  37
HIS A  34
ASP A 150
 ATP  A 300 (-2.9A)
ATP  A 300 (-4.0A)
ATP  A 300 (-4.5A)
ATP  A 300 (-3.6A)
 0.97A 3nvcA-3innA:
undetectable		 3nvcA-3innA:
24.49
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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		4 GLN A  20
HIS A  38
HIS A  40
HIS A  15
 None
ZN  A 200 (-3.3A)
ZN  A 200 (-3.4A)
ZN  A 200 (-3.5A)
 0.93A 3nvcA-3jygA:
undetectable		 3nvcA-3jygA:
18.11
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.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		4 GLN A 187
HIS A 164
HIS A  91
ASP A 207
 None
 1.07A 3nvcA-3k25A:
undetectable		 3nvcA-3k25A:
23.21
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 HIS A 358
HIS A 330
HIS A  86
ASP A 416
 CFE  A 513 ( 4.3A)
ZN  A 512 ( 3.5A)
ZN  A 512 (-3.4A)
CFE  A 513 (-2.8A)
 0.70A 3nvcA-3lggA:
undetectable		 3nvcA-3lggA:
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		4 GLN A 288
HIS A 157
HIS A 156
ASP A 281
 SO4  A 401 ( 4.7A)
SO4  A 401 (-3.4A)
SO4  A 401 (-3.6A)
ZN  A 400 ( 2.6A)
 1.01A 3nvcA-3menA:
undetectable		 3nvcA-3menA:
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 GLN A  10
HIS A  51
HIS A  57
HIS A  71
ASP A   8
 None
FE2  A 188 (-3.5A)
FE2  A 188 (-3.5A)
FE2  A 188 (-3.4A)
None
 1.18A 3nvcA-3pl1A:
undetectable		 3nvcA-3pl1A:
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.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		4 GLN A 155
HIS A  37
HIS A  34
ASP A 152
 GOL  A 601 (-3.0A)
AMP  A 501 (-4.1A)
AMP  A 501 (-4.4A)
AMP  A 501 (-3.6A)
 1.06A 3nvcA-3q10A:
undetectable		 3nvcA-3q10A:
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.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		4 GLN A  34
HIS A  75
HIS A  92
ASP A  32
 None
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.4A)
NIO  A 311 (-3.9A)
 1.05A 3nvcA-3r2jA:
undetectable		 3nvcA-3r2jA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 GLN A 601
HIS A 366
HIS A 361
HIS A 541
 None
FE2  A   1 ( 3.4A)
FE2  A   1 ( 3.4A)
FE2  A   1 (-3.3A)
 1.08A 3nvcA-3rdeA:
undetectable		 3nvcA-3rdeA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 HIS A 218
ARG A 260
HIS A 239
ASP A 290
 UNX  A 606 ( 3.2A)
None
UNX  A 606 ( 3.6A)
None
 1.11A 3nvcA-3t8lA:
undetectable		 3nvcA-3t8lA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		4 GLN A  62
HIS A  91
HIS A 142
HIS A  89
 SO4  A 215 ( 4.5A)
FE2  A 212 ( 3.2A)
FE2  A 212 (-3.3A)
FE2  A 212 ( 3.2A)
 1.04A 3nvcA-3ussA:
6.9		 3nvcA-3ussA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 124
HIS A  89
HIS A 429
HIS A  87
 None
CU  A 603 (-2.9A)
CU  A 602 (-3.6A)
CU  A 602 ( 4.7A)
 1.23A 3nvcA-3v9eA:
undetectable		 3nvcA-3v9eA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 GLN A 223
HIS A 152
HIS A 155
ASP A  46
 GOL  A 302 ( 4.6A)
GOL  A 302 (-3.9A)
ZN  A 301 ( 3.3A)
ACY  A 303 (-3.0A)
 1.09A 3nvcA-3we7A:
undetectable		 3nvcA-3we7A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
NETRIN-G1

(Homo sapiens) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N)
PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 HIS A 300
HIS A 276
HIS A 299
ASP B 168
 None
 1.17A 3nvcA-3zyjA:
undetectable		 3nvcA-3zyjA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		6 GLN A 108
HIS A 119
HIS A 121
ARG A 127
HIS A 160
ASP A 174
 None
FE  A 401 (-3.2A)
FE  A 401 (-3.4A)
None
FE  A 401 (-3.3A)
None
 0.63A 3nvcA-4fahA:
53.1		 3nvcA-4fahA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		4 HIS A 160
HIS A 119
HIS A 121
ASP A 174
 FE  A 401 (-3.3A)
FE  A 401 (-3.2A)
FE  A 401 (-3.4A)
None
 1.16A 3nvcA-4fahA:
53.1		 3nvcA-4fahA:
99.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 HIS A 240
HIS A 215
HIS A  34
ASP A 301
 None
ZN  A 401 (-3.4A)
ZN  A 401 (-3.4A)
None
 0.66A 3nvcA-4gxwA:
undetectable		 3nvcA-4gxwA:
22.74
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.
4jiv PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF05488
(PAAR_motif) 		4 HIS D  46
HIS D  14
HIS D  54
ASP D  80
 ZN  D 101 (-3.4A)
ZN  D 101 (-3.3A)
ZN  D 101 (-3.2A)
None
 1.04A 3nvcA-4jivD:
undetectable		 3nvcA-4jivD:
15.25
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.
4jiw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF05488
(PAAR_motif) 		4 HIS D  46
HIS D  14
HIS D  54
ASP D  80
 ZN  D 101 (-3.1A)
ZN  D 101 (-3.2A)
ZN  D 101 (-2.9A)
None
 1.11A 3nvcA-4jiwD:
undetectable		 3nvcA-4jiwD:
14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m6r METHYLTHIORIBULOSE-1
-PHOSPHATE
DEHYDRATASE

(Homo sapiens) 		PF00596
(Aldolase_II) 		4 GLN A  96
HIS A 195
HIS A 117
HIS A 115
 None
ZN  A 301 (-3.4A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
 1.23A 3nvcA-4m6rA:
undetectable		 3nvcA-4m6rA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mhu ECTOINE HYDROXYLASE

(Sphingopyxis
alaskensis) 		PF05721
(PhyH) 		4 GLN A 127
HIS A 144
HIS A 245
ARG A 129
 None
FE  A 401 (-3.7A)
FE  A 401 (-3.9A)
None
 1.09A 3nvcA-4mhuA:
4.8		 3nvcA-4mhuA:
21.54
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  57
HIS B  91
HIS B  82
ASP B 252
 CU1  B 601 (-3.1A)
CU1  B 601 (-3.2A)
CU1  B 601 (-3.1A)
None
 1.13A 3nvcA-4ouaB:
undetectable		 3nvcA-4ouaB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS B  91
HIS B  57
HIS B 283
ASP B 252
 CU1  B 601 (-3.2A)
CU1  B 601 (-3.1A)
CU1  B 602 (-3.0A)
None
 0.95A 3nvcA-4ouaB:
undetectable		 3nvcA-4ouaB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  57
HIS A  91
HIS A  82
ASP A 252
 CU1  A 401 (-3.2A)
CU1  A 401 (-3.3A)
CU1  A 401 (-3.3A)
None
 1.14A 3nvcA-4ouaA:
undetectable		 3nvcA-4ouaA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 HIS A  91
HIS A  57
HIS A 283
ASP A 252
 CU1  A 401 (-3.3A)
CU1  A 401 (-3.2A)
CU1  A 402 (-2.9A)
None
 1.01A 3nvcA-4ouaA:
undetectable		 3nvcA-4ouaA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rer 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00571
(CBS) 		4 HIS G 151
HIS G 169
ARG G 299
HIS G 298
 AMP  G 401 ( 3.4A)
None
AMP  G 402 (-3.9A)
AMP  G 403 ( 3.9A)
 1.24A 3nvcA-4rerG:
undetectable		 3nvcA-4rerG:
20.83
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		4 GLN A 298
HIS A 215
HIS A 251
ASP A 342
 None
MPD  A 502 (-3.3A)
MPD  A 502 ( 4.4A)
MPD  A 502 (-2.7A)
 1.12A 3nvcA-4wgxA:
undetectable		 3nvcA-4wgxA:
23.31
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.
4yn5 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus sp.
JAMB750) 		PF02156
(Glyco_hydro_26) 		4 GLN A 361
HIS A 150
ARG A 209
HIS A 212
 None
CAC  A 501 (-3.8A)
CAC  A 501 ( 4.9A)
CAC  A 501 (-3.8A)
 1.25A 3nvcA-4yn5A:
undetectable		 3nvcA-4yn5A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 HIS A 217
ARG A 209
HIS A 156
ASP A 162
 None
 1.14A 3nvcA-4ywjA:
undetectable		 3nvcA-4ywjA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 244
HIS A 348
HIS A 268
ASP A 251
 ZN  A 402 (-3.7A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.5A)
None
 1.16A 3nvcA-4zr0A:
undetectable		 3nvcA-4zr0A:
21.04
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 348
HIS A 272
HIS A 244
ASP A 251
 ZN  A 402 (-3.3A)
ZN  A 402 (-3.4A)
ZN  A 402 (-3.7A)
None
 1.23A 3nvcA-4zr0A:
undetectable		 3nvcA-4zr0A:
21.04
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 244
HIS A 348
HIS A 268
ASP A 251
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.3A)
None
 1.17A 3nvcA-4zr1A:
undetectable		 3nvcA-4zr1A:
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 210
HIS A 233
HIS A 215
ASP A 311
 DGT  A 701 (-4.5A)
DGT  A 701 (-3.8A)
DGT  A 701 (-3.6A)
DGT  A 701 (-2.4A)
 1.13A 3nvcA-4zweA:
undetectable		 3nvcA-4zweA:
20.79
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 233
HIS A 215
HIS A 210
ASP A 311
 DGT  A 701 (-3.8A)
DGT  A 701 (-3.6A)
DGT  A 701 (-4.5A)
DGT  A 701 (-2.4A)
 0.90A 3nvcA-4zweA:
undetectable		 3nvcA-4zweA:
20.79
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 210
HIS A 233
HIS A 215
ASP A 311
 DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
 1.13A 3nvcA-5ao0A:
undetectable		 3nvcA-5ao0A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 233
HIS A 215
HIS A 210
ASP A 311
 DG3  A2001 (-3.4A)
DG3  A2001 (-3.4A)
DG3  A2001 (-4.6A)
FE  A1001 ( 2.6A)
 0.86A 3nvcA-5ao0A:
undetectable		 3nvcA-5ao0A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE

(Rhodopseudomonas
palustris) 		PF06130
(PTAC) 		4 GLN A 107
HIS A 157
HIS A 159
HIS A 204
 None
ZN  A 502 (-3.3A)
ZN  A 502 (-3.4A)
ZN  A 502 ( 3.1A)
 1.09A 3nvcA-5cuoA:
undetectable		 3nvcA-5cuoA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		4 GLN A 153
HIS A  36
HIS A  33
ASP A 150
 SAM  A 301 (-3.0A)
SAM  A 301 (-4.0A)
SAM  A 301 (-4.5A)
SAM  A 301 (-4.2A)
 1.07A 3nvcA-5hg0A:
undetectable		 3nvcA-5hg0A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 4 HIS A 424
HIS A 126
HIS A 485
ASP A 236
 None
 1.16A 3nvcA-5i5jA:
undetectable		 3nvcA-5i5jA:
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.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 4 HIS A 485
HIS A 424
HIS A 126
ASP A 236
 None
 0.81A 3nvcA-5i5jA:
undetectable		 3nvcA-5i5jA:
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 131
HIS A 312
HIS A 132
ASP A  45
 MN  A1001 (-3.5A)
A  C1004 ( 3.7A)
A  C1004 ( 3.5A)
MN  A1002 (-2.2A)
 1.14A 3nvcA-5jjuA:
undetectable		 3nvcA-5jjuA:
23.57
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 132
HIS A 131
HIS A 312
ASP A  45
 A  C1004 ( 3.5A)
MN  A1001 (-3.5A)
A  C1004 ( 3.7A)
MN  A1002 (-2.2A)
 0.58A 3nvcA-5jjuA:
undetectable		 3nvcA-5jjuA:
23.57
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 312
HIS A 132
HIS A 131
ASP A  45
 A  C1004 ( 3.7A)
A  C1004 ( 3.5A)
MN  A1001 (-3.5A)
MN  A1002 (-2.2A)
 1.17A 3nvcA-5jjuA:
undetectable		 3nvcA-5jjuA:
23.57
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 GLN A 152
HIS A 157
HIS A 159
HIS A 146
 None
 1.23A 3nvcA-5n8oA:
undetectable		 3nvcA-5n8oA:
12.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 104
HIS A 286
HIS A 105
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.17A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 105
HIS A 104
HIS A 286
ASP A  23
 PG4  A 403 (-4.5A)
MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
MN  A 401 (-2.0A)
 0.82A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 HIS A 286
HIS A 105
HIS A 104
ASP A  23
 PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
MN  A 402 (-3.5A)
MN  A 401 (-2.0A)
 1.08A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 4 HIS C 216
ARG C 208
HIS C 155
ASP C 161
 None
None
PDC  C1002 ( 4.4A)
NAD  C1001 ( 3.9A)
 1.12A 3nvcA-5temC:
undetectable		 3nvcA-5temC:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucr PANTOTHENATE
SYNTHETASE

(Neisseria
gonorrhoeae) 		PF02569
(Pantoate_ligase) 		4 GLN A 150
HIS A  33
HIS A  30
ASP A 147
 ALA  A 302 (-3.9A)
ANP  A 301 (-4.1A)
ANP  A 301 (-4.4A)
ANP  A 301 (-3.7A)
 1.09A 3nvcA-5ucrA:
undetectable		 3nvcA-5ucrA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue2 MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 HIS A 198
HIS A 204
HIS A 194
ASP A 230
 ZN  A 304 (-3.3A)
ZN  A 304 (-3.2A)
ZN  A 304 (-3.3A)
None
 1.18A 3nvcA-5ue2A:
undetectable		 3nvcA-5ue2A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ugj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 HIS A 217
ARG A 209
HIS A 156
ASP A 162
 None
 1.15A 3nvcA-5ugjA:
undetectable		 3nvcA-5ugjA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 4 GLN A 389
HIS A 219
HIS A 168
HIS A 284
 None
FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
 1.10A 3nvcA-5v2dA:
undetectable		 3nvcA-5v2dA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 4 HIS A 626
HIS A 628
HIS A 630
ASP A 687
 ZN  A 803 (-3.1A)
ZN  A 803 (-3.2A)
ZN  A 803 (-3.1A)
None
 1.08A 3nvcA-5ze3A:
undetectable		 3nvcA-5ze3A:
13.03
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.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 4 HIS A 630
HIS A 626
HIS A 628
ASP A 687
 ZN  A 803 (-3.1A)
ZN  A 803 (-3.1A)
ZN  A 803 (-3.2A)
None
 1.23A 3nvcA-5ze3A:
undetectable		 3nvcA-5ze3A:
13.03
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.
6bqy TYROSINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 200
HIS A  57
HIS A  60
ASP A 199
 None
 1.14A 3nvcA-6bqyA:
undetectable		 3nvcA-6bqyA:
12.57
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 4 HIS A 242
HIS A 265
HIS A 247
ASP A 343
 DGT  A 701 (-4.4A)
DGT  A 701 (-3.9A)
DGT  A 701 (-3.7A)
DGT  A 701 (-2.6A)
 1.18A 3nvcA-6brkA:
undetectable		 3nvcA-6brkA:
12.21