SIMILAR PATTERNS OF AMINO ACIDS FOR 1NBI_D_SAMD3293

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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A 203
THR A 202
ALA A 206
GLY A 147
HIS A 150
 None
 1.29A 1nbiD-1dabA:
0.0		 1nbiD-1dabA:
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.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		5 TYR A 169
THR A 147
ALA A 174
SER A 172
GLY A 200
 NAP  A 263 (-4.4A)
NAP  A 263 ( 4.5A)
None
None
None
 1.28A 1nbiD-1h5qA:
6.9		 1nbiD-1h5qA:
19.94
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY A 169
THR A 167
ALA A 161
SER A 164
GLY A 327
 None
 1.25A 1nbiD-1hr7A:
0.0		 1nbiD-1hr7A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i51 CASPASE-7 SUBUNIT
P20
X-LINKED INHIBITOR
OF APOPTOSIS PROTEIN

(Homo sapiens;
Homo sapiens) 		PF00656
(Peptidase_C14)
no annotation 		5 TYR A 151
GLY E 144
THR E 143
MET A  84
GLY A 188
 None
 1.27A 1nbiD-1i51A:
2.2		 1nbiD-1i51A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		5 TYR A 282
GLY A 157
GLY A  77
SER A  81
HIS A  80
 PLP  A 401 ( 3.6A)
SO4  A 701 ( 3.7A)
SO4  A 701 ( 4.4A)
SO4  A 701 (-2.3A)
None
 1.28A 1nbiD-1j0aA:
3.3		 1nbiD-1j0aA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 GLY A 195
THR A 196
ALA A 212
GLY A 204
SER A 143
 None
 1.22A 1nbiD-1kfwA:
undetectable		 1nbiD-1kfwA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 TYR A 210
THR A 352
ALA A 288
SER A 208
TYR A 381
 None
 1.08A 1nbiD-1lnsA:
undetectable		 1nbiD-1lnsA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 333
ALA A 348
MET A 351
GLY A 306
HIS A 328
 None
 1.06A 1nbiD-1lrwA:
undetectable		 1nbiD-1lrwA:
19.50
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A 187
ALA A 239
SER A 240
GLY A 275
SER A 192
 None
 1.30A 1nbiD-1o2dA:
undetectable		 1nbiD-1o2dA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		8 GLY A  66
THR A  67
ALA A  86
SER A  87
MET A  90
TRP A 117
GLY A 137
HIS A 142
 None
 0.60A 1nbiD-1r8yA:
35.6		 1nbiD-1r8yA:
95.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		8 GLY A  66
THR A  67
ALA A  86
SER A  87
TRP A 117
GLY A 137
SER A 139
HIS A 142
 None
 0.49A 1nbiD-1r8yA:
35.6		 1nbiD-1r8yA:
95.21
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.
1tu2 APOCYTOCHROME F

(Nostoc sp. PCC
7119) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 GLY B 178
THR B 179
ALA B 227
GLY B 204
SER B 203
 None
 1.13A 1nbiD-1tu2B:
undetectable		 1nbiD-1tu2B:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 TYR A 153
GLY A 139
ALA A 158
SER A 156
GLY A 184
 None
 1.17A 1nbiD-1uznA:
6.1		 1nbiD-1uznA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
MET A  72
SER A 112
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.89A 1nbiD-1ve3A:
18.4		 1nbiD-1ve3A:
25.65
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 TYR A  97
ALA A  43
GLY A 138
SER A 136
TYR A 151
 None
 1.15A 1nbiD-1x0uA:
undetectable		 1nbiD-1x0uA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 GLY A  48
THR A  49
SER A  69
MET A  72
SER A 112
 None
 0.77A 1nbiD-1y8cA:
22.6		 1nbiD-1y8cA:
23.55
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		5 TYR A 344
ALA A 350
SER A 349
GLY A 360
TYR A 396
 None
 1.22A 1nbiD-1ykdA:
undetectable		 1nbiD-1ykdA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TRP A 653
GLY A 593
ALA A 633
GLY A 543
TYR A 660
 None
 1.01A 1nbiD-1z68A:
undetectable		 1nbiD-1z68A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		5 TYR A 155
GLY A 145
ALA A 157
SER A 158
TYR A 189
 SS2  A1260 ( 4.2A)
None
None
None
None
 1.27A 1nbiD-1zjyA:
5.4		 1nbiD-1zjyA:
23.70
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 GLY A  52
THR A  53
SER A  73
MET A  76
GLY A 110
 SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
SAI  A1300 (-3.4A)
 0.39A 1nbiD-2avnA:
16.7		 1nbiD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 GLY A  52
THR A  53
SER A  73
MET A  76
TYR A  20
 SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
None
 0.78A 1nbiD-2avnA:
16.7		 1nbiD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 TYR A   9
GLY A  52
THR A  53
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.81A 1nbiD-2avnA:
16.7		 1nbiD-2avnA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 TYR A 162
GLY A 147
ALA A 167
SER A 165
GLY A 193
 NAP  A1901 (-4.5A)
None
None
None
NAP  A1901 (-4.7A)
 1.27A 1nbiD-2b4qA:
7.3		 1nbiD-2b4qA:
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 THR A 381
ALA A 421
GLY A 262
HIS A 195
TYR A 229
 MN  A1441 ( 3.5A)
None
None
None
None
 1.26A 1nbiD-2bwsA:
undetectable		 1nbiD-2bwsA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 GLY A  47
THR A  48
SER A  66
MET A  69
TYR A  15
 SAH  A 301 (-3.5A)
None
SAH  A 301 (-4.5A)
SAH  A 301 (-4.2A)
None
 1.31A 1nbiD-2gs9A:
13.7		 1nbiD-2gs9A:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 5 GLY A 245
THR A 244
ALA A 254
GLY A 187
SER A 183
 None
 1.14A 1nbiD-2hihA:
undetectable		 1nbiD-2hihA:
21.18
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 GLY A 195
THR A 203
ALA A 156
GLY A 209
SER A 213
 None
None
None
ASP  A 502 (-4.2A)
None
 0.98A 1nbiD-2hmfA:
undetectable		 1nbiD-2hmfA:
19.14
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 GLY A 156
THR A 154
ALA A 206
GLY A  98
HIS A  85
 None
None
None
UNX  A1201 (-3.3A)
None
 1.29A 1nbiD-2hp3A:
undetectable		 1nbiD-2hp3A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 GLY A 312
THR A 313
ALA A 290
GLY A 309
SER A 331
 None
 1.17A 1nbiD-2qqpA:
undetectable		 1nbiD-2qqpA:
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.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 270
ALA A  76
SER A  77
GLY A 250
SER A 273
 NAP  A1372 (-3.3A)
NAP  A1372 (-3.6A)
DIF  A1373 (-3.0A)
None
NAP  A1372 (-4.8A)
 1.20A 1nbiD-2wekA:
7.9		 1nbiD-2wekA:
22.31
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2
PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Methanothermobacter
thermautotrophicus;
Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLY A 224
SER A 222
MET A 195
GLY B 205
SER B 203
 None
 1.25A 1nbiD-2wnrA:
undetectable		 1nbiD-2wnrA:
23.27
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 GLY X 246
ALA X 227
SER X 226
GLY X 214
SER X 211
 None
 0.93A 1nbiD-2z22X:
undetectable		 1nbiD-2z22X:
24.29
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 GLY A  48
THR A  49
SER A  69
MET A  72
SER A 108
 SAM  A 238 ( 3.7A)
None
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.2A)
 0.60A 1nbiD-3bxoA:
21.2		 1nbiD-3bxoA:
26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 GLY A  48
THR A  49
SER A  69
MET A  72
TYR A  14
 SAM  A 238 ( 3.7A)
None
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
UPP  A 239 (-4.3A)
 0.85A 1nbiD-3bxoA:
21.2		 1nbiD-3bxoA:
26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  42
THR A  43
SER A  62
MET A  65
HIS A 195
 None
 1.13A 1nbiD-3d2lA:
22.2		 1nbiD-3d2lA:
26.39
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  42
THR A  43
SER A  62
MET A  65
SER A 105
 None
 0.89A 1nbiD-3d2lA:
22.2		 1nbiD-3d2lA:
26.39
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.
3d2u UL18 PROTEIN

(Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A  62
GLY A  47
SER A  56
TRP A  51
GLY A  23
 None
 1.07A 1nbiD-3d2uA:
undetectable		 1nbiD-3d2uA:
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  52
SER A  74
MET A  77
GLY A 118
SER A 119
 SAM  A 220 (-3.2A)
GOL  A 222 ( 3.2A)
SAM  A 220 ( 3.8A)
SAM  A 220 (-4.7A)
SAM  A 220 (-2.8A)
 0.94A 1nbiD-3dlcA:
15.2		 1nbiD-3dlcA:
20.95
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
THR A  53
SER A  75
MET A  78
SER A 116
 None
 0.91A 1nbiD-3dtnA:
15.6		 1nbiD-3dtnA:
25.08
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  43
THR A  44
SER A  64
MET A  67
HIS A 105
 EDO  A 261 ( 3.9A)
None
None
EDO  A 261 ( 4.1A)
EDO  A 261 ( 4.6A)
 0.82A 1nbiD-3egeA:
13.6		 1nbiD-3egeA:
24.43
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.
3g23 LD-CARBOXYPEPTIDASE
A

(Novosphingobium
aromaticivorans) 		PF02016
(Peptidase_S66) 		5 GLY A 107
THR A 108
ALA A 165
GLY A  76
HIS A 261
 None
 1.23A 1nbiD-3g23A:
undetectable		 1nbiD-3g23A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 101
ALA A  95
SER A  97
GLY A 109
TYR A  28
 None
None
IOD  A 203 (-3.6A)
None
None
 1.23A 1nbiD-3g7rA:
undetectable		 1nbiD-3g7rA:
24.12
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  55
THR A  56
SER A  76
MET A  79
HIS A 118
 None
 0.75A 1nbiD-3hnrA:
15.1		 1nbiD-3hnrA:
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.
3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00497
(SBP_bac_3) 		5 GLY A  56
THR A 113
MET A  55
GLY A 117
TYR A 134
 None
 1.23A 1nbiD-3i6vA:
undetectable		 1nbiD-3i6vA:
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.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		5 GLY A  57
THR A  58
ALA A  95
SER A  94
GLY A  74
 None
 1.06A 1nbiD-3it7A:
undetectable		 1nbiD-3it7A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 TYR A 267
GLY A 286
ALA A 392
SER A 226
TYR A 212
 None
 1.26A 1nbiD-3iv0A:
undetectable		 1nbiD-3iv0A:
21.26
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		5 GLY A 177
SER A 179
TRP A  42
GLY A 108
SER A 138
 None
None
DTV  A 402 (-3.7A)
None
None
 1.28A 1nbiD-3k2gA:
undetectable		 1nbiD-3k2gA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		6 TYR A  14
GLY A  60
THR A  61
SER A  81
MET A  84
SER A 120
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
None
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.3A)
 0.74A 1nbiD-3px2A:
22.3		 1nbiD-3px2A:
25.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r1i SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		PF13561
(adh_short_C2) 		5 TYR A 163
THR A 146
ALA A 168
SER A 166
GLY A 194
 EDO  A 257 ( 4.3A)
None
None
None
None
 1.31A 1nbiD-3r1iA:
7.1		 1nbiD-3r1iA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rih SHORT CHAIN
DEHYDROGENASE OR
REDUCTASE

(Mycobacteroides
abscessus) 		PF13561
(adh_short_C2) 		5 TYR A 170
THR A 154
ALA A 175
SER A 173
GLY A 201
 PG5  A 273 ( 3.9A)
EDO  A 279 ( 4.7A)
EDO  A 274 ( 3.7A)
None
None
 1.27A 1nbiD-3rihA:
6.9		 1nbiD-3rihA:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 GLY M 428
THR M 426
SER M 433
GLY M 324
HIS M 322
 None
 1.29A 1nbiD-3rkoM:
undetectable		 1nbiD-3rkoM:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A  85
THR A 100
ALA A  90
SER A  89
SER A  70
 None
IOD  A 179 (-4.8A)
None
None
None
 1.29A 1nbiD-3s6lA:
undetectable		 1nbiD-3s6lA:
24.03
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.
3soj PILE

(Francisella
tularensis) 		no annotation 5 TYR A  62
ALA A  45
SER A  46
TRP A 112
GLY A  76
 None
 1.28A 1nbiD-3sojA:
undetectable		 1nbiD-3sojA:
16.25
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 303
ALA A 219
SER A 299
GLY A 392
HIS A 333
 None
 1.30A 1nbiD-3u0fA:
undetectable		 1nbiD-3u0fA:
21.41
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 TYR A 180
GLY A 165
ALA A 185
SER A 183
GLY A 211
 None
 1.18A 1nbiD-3v2gA:
6.5		 1nbiD-3v2gA:
24.62
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.
3wmd PROBABLE MONENSIN
BIOSYNTHESIS
ISOMERASE

(Streptomyces
cinnamonensis) 		PF12680
(SnoaL_2) 		5 TRP A 100
GLY A 136
THR A 137
ALA A 116
GLY A  40
 None
 0.93A 1nbiD-3wmdA:
undetectable		 1nbiD-3wmdA:
20.34
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 131
THR A 130
TRP A 393
GLY A 117
TYR A 139
 EDO  A1524 (-4.4A)
EDO  A1524 (-3.7A)
None
None
None
 1.25A 1nbiD-4akoA:
undetectable		 1nbiD-4akoA:
21.61
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 TYR A 886
ALA A 888
SER A 889
GLY A 852
TYR A 825
 None
 1.17A 1nbiD-4azcA:
undetectable		 1nbiD-4azcA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbv MYXOBACTERIAL
HEMAGGLUTININ

(Myxococcus
xanthus) 		no annotation 5 GLY A 197
THR A 198
ALA A 172
SER A 182
GLY A 222
 EDO  A 311 (-3.5A)
EDO  A 311 (-3.9A)
None
None
None
 1.28A 1nbiD-4fbvA:
undetectable		 1nbiD-4fbvA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		6 TYR A 151
GLY A 137
THR A 136
ALA A 156
SER A 154
GLY A 182
 None
 1.19A 1nbiD-4fgsA:
7.5		 1nbiD-4fgsA:
23.05
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		5 GLY A 187
ALA A 136
SER A 137
MET A 139
GLY A 217
 None
 1.23A 1nbiD-4gs1A:
undetectable		 1nbiD-4gs1A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 TYR A 187
GLY A 234
SER A 256
MET A 259
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-4.0A)
 0.83A 1nbiD-4ineA:
undetectable		 1nbiD-4ineA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ipa PUTATIVE CURVED
DNA-BINDING PROTEIN

(Chaetomium
thermophilum) 		PF00557
(Peptidase_M24) 		5 GLY A 327
THR A 326
ALA A  82
GLY A 254
SER A 250
 None
 0.93A 1nbiD-4ipaA:
undetectable		 1nbiD-4ipaA:
21.51
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.
4jy4 PGT121 LIGHT CHAIN
PGT121 HEAVY CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B 104
THR B 105
ALA B  93
GLY A  41
HIS A  38
 None
None
None
FUC  B 310 ( 4.5A)
None
 1.30A 1nbiD-4jy4B:
undetectable		 1nbiD-4jy4B:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
 0.87A 1nbiD-4kriA:
undetectable		 1nbiD-4kriA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		5 GLY A 352
THR A 353
ALA A 349
SER A 350
GLY A 337
 None
 1.30A 1nbiD-4mk0A:
undetectable		 1nbiD-4mk0A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0f IGG RECEPTOR FCRN
LARGE SUBUNIT P51

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLY A  95
THR A 107
SER A   6
GLY A  92
HIS A  10
 None
 1.29A 1nbiD-4n0fA:
undetectable		 1nbiD-4n0fA:
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.
4nn0 COMPLEMENT C1Q TUMOR
NECROSIS
FACTOR-RELATED
PROTEIN 5

(Homo sapiens) 		PF00386
(C1q) 		5 GLY A 229
ALA A 108
SER A 107
GLY A 194
HIS A 156
 None
 1.12A 1nbiD-4nn0A:
undetectable		 1nbiD-4nn0A:
19.80
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.
4o0l NADPH-DEPENDENT
3-QUINUCLIDINONE
REDUCTASE

(Rhodotorula
mucilaginosa) 		PF13561
(adh_short_C2) 		5 TYR A 181
THR A 164
ALA A 186
SER A 184
GLY A 211
 NDP  A 300 (-4.8A)
NDP  A 300 (-4.0A)
None
None
NDP  A 300 (-4.9A)
 1.31A 1nbiD-4o0lA:
6.6		 1nbiD-4o0lA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 THR A 380
ALA A 420
GLY A 260
HIS A 193
TYR A 227
 MG  A 502 (-3.5A)
None
None
None
1PE  A 503 (-4.1A)
 1.25A 1nbiD-4pv4A:
undetectable		 1nbiD-4pv4A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 THR A 380
GLY A 260
SER A 189
HIS A 193
TYR A 227
 MG  A 502 (-3.5A)
None
None
None
1PE  A 503 (-4.1A)
 1.27A 1nbiD-4pv4A:
undetectable		 1nbiD-4pv4A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4py9 PUTATIVE
EXOPOLYPHOSPHATASE-R
ELATED PROTEIN

(Bacteroides
fragilis) 		PF01368
(DHH) 		5 GLY A 173
THR A 176
SER A  39
SER A 143
HIS A 125
 None
NA  A 406 (-3.9A)
None
None
PO4  A 402 (-4.3A)
 1.26A 1nbiD-4py9A:
undetectable		 1nbiD-4py9A:
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.
4q8l ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		5 TYR A 180
GLY A  97
THR A  98
GLY A  48
TYR A 186
 None
 1.05A 1nbiD-4q8lA:
undetectable		 1nbiD-4q8lA:
20.67
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		5 TYR A 156
GLY A 146
ALA A 158
SER A 159
TYR A 190
 None
 1.22A 1nbiD-4rf3A:
5.5		 1nbiD-4rf3A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkm NADH-DEPENDENT
REDUCTASE FOR
4-DEOXY-L-ERYTHRO-5-
HEXOSEULOSE URONATE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 TYR A 164
GLY A 149
THR A 148
ALA A 169
SER A 167
 None
 1.15A 1nbiD-4tkmA:
6.5		 1nbiD-4tkmA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvi AMINOTRANSFERASE,
CLASS IV

(Brucella
abortus) 		PF01063
(Aminotran_4) 		5 GLY A 123
THR A 127
ALA A 132
GLY A  53
SER A  54
 None
 1.23A 1nbiD-4tviA:
undetectable		 1nbiD-4tviA:
20.82
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 GLY A 297
THR A 296
ALA A 378
SER A 377
GLY A 281
 None
 1.14A 1nbiD-4wjsA:
undetectable		 1nbiD-4wjsA:
21.21
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.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		5 TRP A 376
GLY A 133
ALA A 365
SER A 366
HIS A 361
 None
None
None
None
BTB  A 505 (-4.4A)
 1.22A 1nbiD-4zg8A:
undetectable		 1nbiD-4zg8A:
22.56
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 GLY A1007
ALA A1002
MET A 871
GLY A1053
HIS A 922
 None
 1.12A 1nbiD-5aorA:
undetectable		 1nbiD-5aorA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		5 GLY A  55
THR A  56
SER A  76
MET A  79
SER A 115
 SAH  A 301 ( 3.7A)
None
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.5A)
 0.81A 1nbiD-5bszA:
20.9		 1nbiD-5bszA:
28.08
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA
OXALATE
OXIDOREDUCTASE
SUBUNIT BETA

(Moorella
thermoacetica;
Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II)
PF02775
(TPP_enzyme_C) 		5 GLY C 145
THR C 144
GLY A  35
SER A  38
TYR A  33
 None
5SR  C 402 (-3.6A)
None
None
None
 1.26A 1nbiD-5exeC:
2.8		 1nbiD-5exeC:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 GLY A 125
THR A 126
ALA A 147
SER A 148
MET A 150
 SAH  A 409 ( 3.7A)
None
SAH  A 409 (-3.5A)
SAH  A 409 ( 4.2A)
None
 1.27A 1nbiD-5fubA:
8.1		 1nbiD-5fubA:
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 TYR A  84
GLY A 125
THR A 126
ALA A 147
SER A 148
 SAH  A 409 ( 3.6A)
SAH  A 409 ( 3.7A)
None
SAH  A 409 (-3.5A)
SAH  A 409 ( 4.2A)
 0.93A 1nbiD-5fubA:
8.1		 1nbiD-5fubA:
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.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2

(Mus musculus) 		PF05175
(MTS) 		5 GLY A 159
THR A 160
ALA A 181
SER A 182
MET A 184
 SAH  A1446 ( 3.9A)
None
SAH  A1446 (-3.7A)
SAH  A1446 ( 4.4A)
None
 1.26A 1nbiD-5fulA:
5.4		 1nbiD-5fulA:
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.
5fw4 DYE-DECOLORIZING
PEROXIDASE TFU_3078

(Thermobifida
fusca) 		PF04261
(Dyp_perox) 		5 GLY A 150
ALA A  99
SER A 100
MET A 102
GLY A 180
 None
 1.23A 1nbiD-5fw4A:
undetectable		 1nbiD-5fw4A:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		6 GLY A  69
THR A  70
ALA A  87
MET A  93
GLY A 133
SER A 135
 SAH  A 301 (-3.3A)
None
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-3.1A)
 1.36A 1nbiD-5h02A:
25.9		 1nbiD-5h02A:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		7 GLY A  69
THR A  70
SER A  90
MET A  93
TRP A 115
GLY A 133
SER A 135
 SAH  A 301 (-3.3A)
None
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-3.1A)
 0.64A 1nbiD-5h02A:
25.9		 1nbiD-5h02A:
30.16
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A 339
THR A 307
ALA A 287
GLY A 277
HIS A 347
 None
 1.01A 1nbiD-5kl0A:
undetectable		 1nbiD-5kl0A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 TYR A 187
ALA A 192
SER A 191
GLY A 149
SER A 219
 None
 1.09A 1nbiD-5no5A:
undetectable		 1nbiD-5no5A:
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A 156
ALA A 164
TRP A 163
GLY A 244
SER A 242
 None
 1.11A 1nbiD-5twbA:
undetectable		 1nbiD-5twbA:
22.31
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		6 TYR A 155
GLY A 140
THR A 139
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
None
NAP  A 301 ( 3.8A)
None
None
NAP  A 301 (-4.7A)
 1.28A 1nbiD-5u2wA:
5.5		 1nbiD-5u2wA:
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 5 GLY A 199
SER A 201
GLY A  46
SER A  48
HIS A  49
 None
 1.13A 1nbiD-5uytA:
undetectable		 1nbiD-5uytA:
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.
5was HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  30
ALA A 168
SER A 152
GLY A  17
SER A 144
 None
 1.15A 1nbiD-5wasA:
undetectable		 1nbiD-5wasA:
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.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  30
ALA A 168
SER A 152
GLY A  17
SER A 144
 None
 1.13A 1nbiD-5watA:
undetectable		 1nbiD-5watA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 1.05A 1nbiD-5wp4A:
15.5		 1nbiD-5wp4A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 GLY A 364
ALA A 379
MET A 382
GLY A 337
HIS A 359
 None
 1.12A 1nbiD-5xm3A:
undetectable		 1nbiD-5xm3A:
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.
6a70 -

(-) 		no annotation 5 GLY B3300
ALA B3578
SER B3579
TRP B3575
GLY B3303
 None
 1.09A 1nbiD-6a70B:
undetectable		 1nbiD-6a70B:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 GLY B 142
ALA B 138
SER B 139
TRP B 574
GLY B 916
 None
 1.20A 1nbiD-6btmB:
undetectable		 1nbiD-6btmB:
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.
6ci9 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 TYR A 157
THR A 141
ALA A 162
SER A 160
GLY A 188
 NAP  A 301 ( 4.3A)
NAP  A 301 (-3.9A)
CL  A 303 ( 4.1A)
None
F3V  A 302 ( 4.8A)
 1.31A 1nbiD-6ci9A:
6.4		 1nbiD-6ci9A:
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 5 TYR A  24
ALA A  48
SER A  49
GLY A 635
HIS A 310
 None
 1.31A 1nbiD-6f91A:
undetectable		 1nbiD-6f91A:
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		4 ILE A 131
ARG A 152
ASP A  95
ASN A  41
 None
None
G  D 915 ( 3.3A)
U  D 916 ( 4.7A)
 1.45A 1nbiD-1j2bA:
0.3		 1nbiD-1j2bA:
17.75
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		4 ILE A1372
ARG A1375
ASP A1278
ASN A1321
 None
 1.26A 1nbiD-2ix8A:
2.1		 1nbiD-2ix8A:
14.54
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.
3q1o GERANYLTRANSTRANSFER
ASE (ISPA)

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		4 ILE A 191
ARG A  50
ASP A 229
ASN A 255
 None
DMA  A 500 (-3.1A)
None
None
 1.45A 1nbiD-3q1oA:
0.0		 1nbiD-3q1oA:
21.57
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.
3ro2 G-PROTEIN-SIGNALING
MODULATOR 2
PEPTIDE OF NUCLEAR
MITOTIC APPARATUS
PROTEIN 1

(Mus musculus;
Homo sapiens) 		PF13176
(TPR_7)
PF13424
(TPR_12)
no annotation 		4 ILE A 224
ARG A 221
ASP B2005
ASN B2008
 None
 1.24A 1nbiD-3ro2A:
undetectable		 1nbiD-3ro2A:
23.06
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		4 ILE A 420
ARG A 417
ASP A 360
ASN A 224
 None
 1.32A 1nbiD-3wvoA:
undetectable		 1nbiD-3wvoA:
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 ILE A 627
ARG A 638
ASP A 468
ASN A 449
 None
 1.49A 1nbiD-4fnvA:
undetectable		 1nbiD-4fnvA:
16.96
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 ILE A 372
ARG A 384
ASP A 649
ASN A 611
 None
 1.16A 1nbiD-4v1uA:
undetectable		 1nbiD-4v1uA:
17.45
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.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		4 ILE A 547
ARG A 373
ASP A 351
ASN A 347
 None
 1.23A 1nbiD-5bq9A:
undetectable		 1nbiD-5bq9A:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bu1 LPG1496

(Legionella
pneumophila) 		PF12252
(SidE) 		4 ILE A 547
ARG A 373
ASP A 351
ASN A 347
 None
 1.29A 1nbiD-5bu1A:
undetectable		 1nbiD-5bu1A:
22.54
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.
5bu2 LPG1496

(Legionella
pneumophila) 		PF12252
(SidE) 		4 ILE A 547
ARG A 373
ASP A 351
ASN A 347
 None
 1.44A 1nbiD-5bu2A:
undetectable		 1nbiD-5bu2A:
21.56
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F
ENTEROBACTIN
BIOSYNTHESIS PROTEIN
YBDZ

(Escherichia
coli;
Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C)
PF03621
(MbtH) 		4 ILE A 862
ARG A 903
ASP A 857
ASN B   5
 None
CL  A1302 (-3.7A)
None
None
 1.23A 1nbiD-5ja1A:
2.2		 1nbiD-5ja1A:
12.44
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		4 ILE A 340
ARG A 273
ASP A 265
ASN A 312
 None
 1.41A 1nbiD-5t13A:
undetectable		 1nbiD-5t13A:
22.63
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 ILE A 118
ARG A 332
ASP A  49
ASN A  51
 0V5  A 509 (-4.5A)
FMT  A 507 (-3.5A)
None
None
 1.33A 1nbiD-5u4hA:
undetectable		 1nbiD-5u4hA:
21.75