SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNI_A_MTKA501_2

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.
1aha ALPHA-MOMORCHARIN

(Momordica
charantia)
PF00161
(RIP)
4 ILE A 155
ILE A 167
ILE A 125
ASN A 110
ADE  A 339 (-4.1A)
None
None
None
0.66A 2nniA-1ahaA:
0.0
2nniA-1ahaA:
19.24
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.
1ajz DIHYDROPTEROATE
SYNTHASE


(Escherichia
coli)
PF00809
(Pterin_bind)
4 ILE A  85
ILE A  38
ASN A  22
VAL A  23
None
None
SO4  A 283 (-3.4A)
None
0.69A 2nniA-1ajzA:
undetectable
2nniA-1ajzA:
20.46
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.
1c8b SPORE PROTEASE

(Bacillus
megaterium)
PF03418
(Peptidase_A25)
5 ILE A 590
ILE A 628
ILE A 509
ASN A 586
VAL A 582
None
1.20A 2nniA-1c8bA:
0.0
2nniA-1c8bA:
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.
1do5 HUMAN COPPER
CHAPERONE FOR
SUPEROXIDE DISMUTASE
DOMAIN II


(Homo sapiens)
PF00080
(Sod_Cu)
5 ILE A 200
ILE A 199
ILE A 230
ILE A 119
ASN A 140
None
1.18A 2nniA-1do5A:
0.0
2nniA-1do5A:
15.74
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.
1ds9 OUTER ARM DYNEIN

(Chlamydomonas
reinhardtii)
PF12799
(LRR_4)
4 ILE A 111
ILE A  82
ASN A 116
VAL A 115
None
0.66A 2nniA-1ds9A:
0.0
2nniA-1ds9A:
18.91
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus)
PF00696
(AA_kinase)
4 ILE A  49
ILE A   7
ILE A  93
ALA A 295
None
0.70A 2nniA-1e19A:
0.0
2nniA-1e19A:
19.70
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.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
5 ILE A 306
ILE A 317
ARG A 250
ILE A 310
VAL A 329
None
1.29A 2nniA-1epvA:
0.0
2nniA-1epvA:
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.
1gtm GLUTAMATE
DEHYDROGENASE


(Pyrococcus
furiosus)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
4 ILE A 217
ILE A 279
ILE A 215
VAL A 260
None
0.70A 2nniA-1gtmA:
0.7
2nniA-1gtmA:
20.51
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.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34


(Pisum sativum)
PF04548
(AIG1)
4 ILE A  42
ILE A  14
ASN A  31
ALA A 243
None
0.53A 2nniA-1h65A:
0.0
2nniA-1h65A:
21.46
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.
1hkg HEXOKINASE A

(Saccharomyces
cerevisiae)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 ILE A 208
ASN A 198
VAL A 197
ALA A 435
None
0.61A 2nniA-1hkgA:
undetectable
2nniA-1hkgA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j83 ENDO-1,4-BETA
GLUCANASE ENGF


(Clostridium
cellulovorans)
PF03424
(CBM_17_28)
4 ILE A1197
ILE A1060
ASN A1121
VAL A1122
None
0.58A 2nniA-1j83A:
undetectable
2nniA-1j83A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE


(Magnaporthe
grisea)
PF13561
(adh_short_C2)
4 ILE A  41
ILE A  45
ARG A 158
ALA A  32
NDP  A 402 (-4.0A)
None
None
None
0.65A 2nniA-1ja9A:
undetectable
2nniA-1ja9A:
21.13
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum)
PF05034
(MAAL_N)
PF07476
(MAAL_C)
5 ILE A 341
ILE A 330
ARG A 281
VAL A 316
ALA A 306
None
1.20A 2nniA-1kczA:
undetectable
2nniA-1kczA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lhu SEX HORMONE-BINDING
GLOBULIN


(Homo sapiens)
PF00054
(Laminin_G_1)
4 ILE A  55
ARG A 166
ILE A 141
VAL A  46
None
None
EST  A 301 (-4.5A)
None
0.69A 2nniA-1lhuA:
undetectable
2nniA-1lhuA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mxf PTERIDINE REDUCTASE
2


(Trypanosoma
cruzi)
PF13561
(adh_short_C2)
5 ILE A 245
ILE A 249
ASN A 100
VAL A  99
ALA A  14
None
1.41A 2nniA-1mxfA:
undetectable
2nniA-1mxfA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima)
PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C)
4 ILE A 461
ILE A 464
ILE A 438
ASN A 125
None
0.53A 2nniA-1obbA:
undetectable
2nniA-1obbA:
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.
1of3 BETA-MANNOSIDASE

(Thermotoga
maritima)
PF09212
(CBM27)
5 ILE A 164
ILE A  82
ILE A 122
ASN A 112
ALA A 119
None
1.06A 2nniA-1of3A:
undetectable
2nniA-1of3A:
17.21
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.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24


(Saccharomyces
cerevisiae)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
5 ILE A 347
ILE A 345
ILE A 435
ILE A 310
ALA A 304
None
0.87A 2nniA-1pd1A:
1.3
2nniA-1pd1A:
19.44
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
4 ILE A 310
ILE A 312
ARG A 247
ILE A 332
None
0.71A 2nniA-1pv9A:
undetectable
2nniA-1pv9A:
21.46
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.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)


(Caenorhabditis
elegans)
PF13561
(adh_short_C2)
5 ILE A 235
ILE A 239
ASN A  92
VAL A  91
ALA A   9
None
1.41A 2nniA-1spxA:
undetectable
2nniA-1spxA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1suw PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE


(Archaeoglobus
fulgidus)
PF01513
(NAD_kinase)
5 ILE A 220
ILE A 222
ILE A 148
ARG A 102
VAL A 103
None
1.42A 2nniA-1suwA:
undetectable
2nniA-1suwA:
19.00
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.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT


(Halothiobacillus
neapolitanus)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
4 ILE A 310
ILE A 286
ILE A 294
VAL A 106
None
0.67A 2nniA-1svdA:
undetectable
2nniA-1svdA:
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE


(Thermotoga
maritima)
PF01008
(IF-2B)
4 ILE A 322
ILE A 337
ARG A 276
ILE A 319
None
0.65A 2nniA-1t9kA:
1.3
2nniA-1t9kA:
22.04
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii)
PF00161
(RIP)
4 ILE A 155
ILE A 167
ILE A 125
ASN A 110
NDP  A 280 (-3.9A)
None
None
None
0.71A 2nniA-1tcsA:
undetectable
2nniA-1tcsA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdq AGGRECAN CORE
PROTEIN


(Rattus
norvegicus)
PF00059
(Lectin_C)
5 ILE B  41
ILE B  60
ILE B 103
ARG B  65
ASN B  63
None
1.24A 2nniA-1tdqB:
undetectable
2nniA-1tdqB:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL


(Escherichia
coli)
PF00155
(Aminotran_1_2)
5 ILE A 108
ILE A 200
ILE A 197
ILE A 132
ASN A 170
None
None
None
None
PLP  A 400 (-3.1A)
1.22A 2nniA-1u08A:
undetectable
2nniA-1u08A:
21.79
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.
1umg 385AA LONG CONSERVED
HYPOTHETICAL PROTEIN


(Sulfurisphaera
tokodaii)
PF01950
(FBPase_3)
4 ILE A 238
ARG A  63
ILE A 126
ALA A  74
None
0.70A 2nniA-1umgA:
undetectable
2nniA-1umgA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vdk FUMARATE HYDRATASE
CLASS II


(Thermus
thermophilus)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ILE A 111
ILE A  46
ASN A 135
VAL A 134
ALA A 128
None
1.40A 2nniA-1vdkA:
undetectable
2nniA-1vdkA:
20.92
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE


(Thermus
thermophilus)
PF01795
(Methyltransf_5)
4 ILE A 162
ILE A 158
ARG A 195
ILE A 171
None
0.69A 2nniA-1wg8A:
undetectable
2nniA-1wg8A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE


(Thermus
thermophilus)
PF13561
(adh_short_C2)
5 ILE A  14
ILE A  18
ILE A  31
ARG A 123
ALA A   5
None
1.34A 2nniA-1x1eA:
undetectable
2nniA-1x1eA:
19.57
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.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II


(Caenorhabditis
elegans)
PF13561
(adh_short_C2)
5 ILE A  35
ILE A  11
ILE A  60
VAL A  91
ALA A 241
None
1.47A 2nniA-1xhlA:
undetectable
2nniA-1xhlA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yaa ASPARTATE
AMINOTRANSFERASE


(Saccharomyces
cerevisiae)
PF00155
(Aminotran_1_2)
4 ILE A  86
ILE A  87
VAL A 252
ALA A 269
None
0.63A 2nniA-1yaaA:
undetectable
2nniA-1yaaA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE


(Lactobacillus
brevis)
PF13561
(adh_short_C2)
5 ILE A  22
ILE A  56
ASN A  88
VAL A  87
ALA A   9
None
1.26A 2nniA-1zjyA:
undetectable
2nniA-1zjyA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE


(Bacillus
alcalophilus)
PF00266
(Aminotran_5)
5 ILE A 273
ILE A 274
ARG A 334
ILE A 343
VAL A 299
None
None
CL  A1365 (-3.4A)
None
None
1.41A 2nniA-2bi3A:
undetectable
2nniA-2bi3A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE


(Plasmodium
falciparum)
PF13561
(adh_short_C2)
4 ILE A  75
ILE A  79
ARG A 193
ALA A  66
None
0.67A 2nniA-2c07A:
undetectable
2nniA-2c07A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE


(Arabidopsis
thaliana)
PF01370
(Epimerase)
4 ILE A 135
ILE A 194
ASN A 125
ALA A  99
None
None
None
NAD  A1378 (-3.8A)
0.71A 2nniA-2c5aA:
undetectable
2nniA-2c5aA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cmt PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
E


(Schistosoma
mansoni)
PF00160
(Pro_isomerase)
4 ILE A  17
ILE A  19
ILE A  27
VAL A 152
None
0.68A 2nniA-2cmtA:
undetectable
2nniA-2cmtA:
16.39
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.
2ddu REELIN

(Mus musculus)
no annotation 4 ILE A1561
ILE A1563
ILE A1597
ILE A1511
None
0.66A 2nniA-2dduA:
undetectable
2nniA-2dduA:
18.49
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.
2dis UNNAMED PROTEIN
PRODUCT


(Homo sapiens)
PF00076
(RRM_1)
5 ILE A  16
ILE A  13
ILE A  77
VAL A  57
ALA A  68
None
1.36A 2nniA-2disA:
undetectable
2nniA-2disA:
13.76
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE


(Aquifex
aeolicus)
PF00202
(Aminotran_3)
4 ILE A 176
ILE A 178
ILE A 237
ALA A 226
None
0.66A 2nniA-2eh6A:
undetectable
2nniA-2eh6A:
22.75
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum)
PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929)
5 ILE A 562
ILE A 560
ARG A 636
ILE A 546
VAL A 554
None
1.16A 2nniA-2eidA:
undetectable
2nniA-2eidA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE


(Azoarcus)
PF13561
(adh_short_C2)
5 ILE A  19
ILE A  23
ILE A  36
ARG A 135
ALA A  10
NAD  A 257 (-3.9A)
None
None
None
None
1.03A 2nniA-2ewmA:
undetectable
2nniA-2ewmA:
20.08
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.
2fea 2-HYDROXY-3-KETO-5-M
ETHYLTHIOPENTENYL-1-
PHOSPHATE
PHOSPHATASE


(Bacillus
subtilis)
PF12710
(HAD)
4 ILE A  23
ILE A  22
ILE A  67
ALA A 124
EDO  A1306 ( 4.9A)
EDO  A1306 ( 3.8A)
None
None
0.69A 2nniA-2feaA:
undetectable
2nniA-2feaA:
19.36
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.
2ha9 UPF0210 PROTEIN
SP0239


(Streptococcus
pneumoniae)
PF05167
(DUF711)
4 ILE A  44
ILE A  48
ARG A  74
VAL A  75
None
0.70A 2nniA-2ha9A:
undetectable
2nniA-2ha9A:
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.
2iuk SEED LIPOXYGENASE

(Glycine max)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 ILE A 730
ILE A 579
ASN A 379
VAL A 378
None
0.54A 2nniA-2iukA:
undetectable
2nniA-2iukA:
20.69
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C)
4 ILE A 354
ILE A 388
ASN A 269
VAL A 270
None
0.71A 2nniA-2jgdA:
undetectable
2nniA-2jgdA:
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.
2jgz CELL DIVISION
PROTEIN KINASE 2
G2/MITOTIC-SPECIFIC
CYCLIN-B1


(Homo sapiens)
PF00069
(Pkinase)
PF00134
(Cyclin_N)
PF02984
(Cyclin_C)
4 ILE A  49
ILE A  52
ILE B 254
VAL A  69
None
0.68A 2nniA-2jgzA:
undetectable
2nniA-2jgzA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens)
PF00067
(p450)
8 ILE A 102
ILE A 106
ILE A 113
ARG A 200
ILE A 213
ASN A 236
VAL A 237
ALA A 292
PLM  A 502 ( 4.1A)
PLM  A 502 (-4.6A)
225  A 501 ( 4.3A)
None
None
None
None
None
0.66A 2nniA-2nnjA:
63.1
2nniA-2nnjA:
100.00
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.
2oh1 ACETYLTRANSFERASE,
GNAT FAMILY


(Listeria
monocytogenes)
no annotation 5 ILE A   6
ILE A 124
ARG A  16
ILE A 117
VAL A  15
None
1.24A 2nniA-2oh1A:
undetectable
2nniA-2oh1A:
16.35
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.
2ov1 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER


(Synechocystis
sp. PCC 6803)
PF01297
(ZnuA)
4 ILE A 301
ILE A 305
ILE A 260
ASN A 282
None
0.53A 2nniA-2ov1A:
undetectable
2nniA-2ov1A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica)
no annotation 4 ILE A 109
ASN A 161
VAL A 160
ALA A 130
None
0.65A 2nniA-2pigA:
undetectable
2nniA-2pigA:
22.82
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA


(-)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ILE A 283
ILE A 284
ILE A  80
ILE A 274
None
0.70A 2nniA-2qgyA:
undetectable
2nniA-2qgyA:
24.14
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Novosphingobium
aromaticivorans)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 282
ILE A 279
ILE A 298
ASN A 276
ALA A 246
None
1.27A 2nniA-2qjjA:
undetectable
2nniA-2qjjA:
20.93
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE


(Marichromatium
gracile)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 ILE A 134
ILE A 303
ILE A 122
VAL A  19
None
0.69A 2nniA-2r9zA:
undetectable
2nniA-2r9zA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vfk AKAP18 DELTA

(Homo sapiens)
PF10469
(AKAP7_NLS)
4 ILE A  98
ILE A 133
ILE A 265
ALA A 201
None
0.72A 2nniA-2vfkA:
undetectable
2nniA-2vfkA:
18.81
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.
2w7r MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 4


(Homo sapiens)
PF00595
(PDZ)
4 ILE A  86
ILE A   7
ILE A  60
ASN A  13
None
0.60A 2nniA-2w7rA:
undetectable
2nniA-2w7rA:
12.67
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.
2wd6 AGGLUTININ RECEPTOR

(Streptococcus
gordonii)
PF06696
(Strep_SA_rep)
PF08363
(GbpC)
5 ILE A 726
ILE A 674
ILE A 731
ASN A 750
ALA A 753
None
1.35A 2nniA-2wd6A:
undetectable
2nniA-2wd6A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wj3 1-H-3-HYDROXY-4-OXOQ
UINALDINE
2,4-DIOXYGENASE


(Paenarthrobacter
nitroguajacolicus)
PF00561
(Abhydrolase_1)
5 ILE A 124
ILE A 230
ILE A 215
ASN A 199
ALA A 131
None
1.15A 2nniA-2wj3A:
undetectable
2nniA-2wj3A:
20.00
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME


(Rattus
norvegicus)
PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
4 ILE A 167
ARG A 118
VAL A 119
ALA A 113
None
COA  A 760 (-4.0A)
None
None
0.69A 2nniA-2x58A:
undetectable
2nniA-2x58A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn7 OUTER SURFACE
PROTEIN


(Borreliella
burgdorferi)
PF05714
(Borrelia_lipo_1)
4 ILE A 323
ILE A 319
ASN A 352
ALA A 406
None
0.71A 2nniA-2yn7A:
2.1
2nniA-2yn7A:
18.35
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.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C


(Homo sapiens)
PF02373
(JmjC)
5 ILE A2424
ILE A2402
ILE A2409
ARG A2446
VAL A2445
None
None
None
EMT  A3498 ( 3.2A)
None
1.48A 2nniA-2ypdA:
undetectable
2nniA-2ypdA:
21.65
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.
2ztu D(-)-3-HYDROXYBUTYRA
TE DEHYDROGENASE


(Pseudomonas
fragi)
PF13561
(adh_short_C2)
4 ILE A  16
ILE A  20
ARG A 136
ALA A   7
NAD  A 300 (-3.8A)
None
None
None
0.66A 2nniA-2ztuA:
undetectable
2nniA-2ztuA:
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.
3a0r SENSOR PROTEIN

(Thermotoga
maritima)
PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c)
4 ILE A 428
ILE A 496
ARG A 458
ALA A 472
None
0.70A 2nniA-3a0rA:
undetectable
2nniA-3a0rA:
20.37
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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE


(Pseudomonas
aeruginosa)
PF13714
(PEP_mutase)
4 ILE A 156
ILE A  86
ILE A 205
ALA A  89
None
0.69A 2nniA-3b8iA:
undetectable
2nniA-3b8iA:
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.
3b90 ENDO-PECTATE LYASE

(Dickeya
chrysanthemi)
PF03211
(Pectate_lyase)
5 ILE A 139
ILE A 155
ILE A 166
VAL A 132
ALA A 159
None
ZN  A 712 ( 4.8A)
None
None
None
1.42A 2nniA-3b90A:
undetectable
2nniA-3b90A:
20.04
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.
3be5 PUTATIVE IRON
COMPOUND-BINDING
PROTEIN OF ABC
TRANSPORTER FAMILY


(Escherichia
coli)
PF01497
(Peripla_BP_2)
5 ILE A 306
ILE A 302
ARG A 204
ILE A 181
ALA A 287
None
1.33A 2nniA-3be5A:
undetectable
2nniA-3be5A:
19.46
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.
3cqo FBP32

(Morone
saxatilis)
PF00754
(F5_F8_type_C)
5 ILE A 114
ARG A  54
ILE A 103
VAL A 125
ALA A   7
None
1.16A 2nniA-3cqoA:
undetectable
2nniA-3cqoA:
20.49
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.
3csw PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE


(Thermotoga
maritima)
PF01063
(Aminotran_4)
5 ILE A 154
ARG A 193
ILE A 147
ASN A 169
VAL A 170
None
None
None
PLP  A 300 (-3.7A)
None
1.38A 2nniA-3cswA:
undetectable
2nniA-3cswA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Clostridium
acetobutylicum)
PF00155
(Aminotran_1_2)
4 ILE A  95
ILE A  91
ILE A 101
ALA A 185
None
0.54A 2nniA-3ftbA:
undetectable
2nniA-3ftbA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN


(Bacteroides
vulgatus)
PF03372
(Exo_endo_phos)
4 ILE A 154
ASN A 136
VAL A 135
ALA A 167
None
0.70A 2nniA-3g6sA:
undetectable
2nniA-3g6sA:
19.96
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.
3g85 TRANSCRIPTIONAL
REGULATOR (LACI
FAMILY)


(Clostridium
acetobutylicum)
PF13377
(Peripla_BP_3)
4 ILE A 297
ILE A  76
ASN A 162
VAL A 163
None
0.68A 2nniA-3g85A:
undetectable
2nniA-3g85A:
20.94
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.
3ghf SEPTUM
SITE-DETERMINING
PROTEIN MINC


(Salmonella
enterica)
PF05209
(MinC_N)
4 ILE A  50
ILE A  75
ASN A  60
VAL A  59
None
None
CIT  A 201 (-4.7A)
CIT  A 201 (-3.8A)
0.55A 2nniA-3ghfA:
undetectable
2nniA-3ghfA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gty 30S RIBOSOMAL
PROTEIN S7


(Thermotoga
maritima)
PF00177
(Ribosomal_S7)
4 ILE S 103
ILE S  49
ASN S  67
VAL S  68
None
0.67A 2nniA-3gtyS:
undetectable
2nniA-3gtyS:
15.13
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.
3gve YFKN PROTEIN

(Bacillus
subtilis)
PF00149
(Metallophos)
4 ILE A 208
ILE A 239
ASN A 128
VAL A 127
None
0.69A 2nniA-3gveA:
undetectable
2nniA-3gveA:
19.96
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans)
PF01979
(Amidohydro_1)
5 ILE A   7
ILE A  26
ILE A 382
ILE A  40
ALA A 386
None
1.33A 2nniA-3hm7A:
undetectable
2nniA-3hm7A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpx 2-ISOPROPYLMALATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00682
(HMGL-like)
5 ILE A 308
ILE A 267
ASN A 321
VAL A 322
ALA A 296
None
None
NI  A 701 (-2.7A)
None
None
1.20A 2nniA-3hpxA:
undetectable
2nniA-3hpxA:
19.77
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE


(Haemophilus
influenzae)
PF13091
(PLDc_2)
4 ILE A  66
ILE A  70
ILE A 156
VAL A  82
None
0.71A 2nniA-3hsiA:
undetectable
2nniA-3hsiA:
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.
3htx HEN1

(Arabidopsis
thaliana)
PF13847
(Methyltransf_31)
4 ILE A 611
ILE A 561
VAL A 628
ALA A 637
None
0.66A 2nniA-3htxA:
undetectable
2nniA-3htxA:
18.73
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.
3hyv SULFIDE-QUINONE
REDUCTASE


(Aquifex
aeolicus)
PF07992
(Pyr_redox_2)
4 ILE A 103
ILE A 289
ILE A 328
ILE A   8
None
None
None
FAD  A 441 (-4.9A)
0.67A 2nniA-3hyvA:
undetectable
2nniA-3hyvA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE


(Bacillus
anthracis)
PF13561
(adh_short_C2)
4 ILE A  16
ILE A  20
ARG A 139
ALA A   7
ILE  A  16 (-0.7A)
ILE  A  20 ( 0.7A)
ARG  A 139 ( 0.6A)
ALA  A   7 ( 0.0A)
0.64A 2nniA-3iccA:
undetectable
2nniA-3iccA:
18.58
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.
3ife PEPTIDASE T

(Bacillus
anthracis)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ILE A 400
ILE A 337
ARG A 169
ILE A 163
None
0.57A 2nniA-3ifeA:
undetectable
2nniA-3ifeA:
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.
3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A


(Methanocaldococcus
jannaschii)
PF06026
(Rib_5-P_isom_A)
4 ILE A 135
ARG A 149
VAL A 147
ALA A 158
None
0.71A 2nniA-3ixqA:
undetectable
2nniA-3ixqA:
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.
3jro FUSION PROTEIN OF
PROTEIN TRANSPORT
PROTEIN SEC13 AND
NUCLEOPORIN NUP145
NUCLEOPORIN NUP84


(Saccharomyces
cerevisiae)
PF00400
(WD40)
PF04121
(Nup84_Nup100)
PF12110
(Nup96)
5 ILE C 208
ILE C 211
ILE A1333
ARG C 244
VAL C 247
None
1.31A 2nniA-3jroC:
undetectable
2nniA-3jroC:
21.91
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN


(Klebsiella
pneumoniae)
PF00149
(Metallophos)
4 ILE A 238
ILE A  11
ILE A 194
ALA A 301
None
0.69A 2nniA-3jyfA:
undetectable
2nniA-3jyfA:
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.
3kbe SUPEROXIDE DISMUTASE
[CU-ZN]


(Caenorhabditis
elegans)
PF00080
(Sod_Cu)
4 ILE A  96
ILE A  30
ARG A 114
ILE A  34
None
0.66A 2nniA-3kbeA:
undetectable
2nniA-3kbeA:
17.35
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.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)


(Clostridium
acetobutylicum)
PF07992
(Pyr_redox_2)
5 ILE A 254
ILE A 104
ILE A   8
VAL A 260
ALA A  14
None
None
None
None
FAD  A 401 (-3.1A)
1.45A 2nniA-3kljA:
undetectable
2nniA-3kljA:
21.24
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A


(Shewanella
denitrificans)
PF00246
(Peptidase_M14)
5 ILE A  12
ILE A   3
ILE A 104
ILE A  55
ALA A  45
None
1.14A 2nniA-3l2nA:
undetectable
2nniA-3l2nA:
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.
3m1m ORF904

(Sulfolobus
islandicus)
PF09250
(Prim-Pol)
PF13010
(pRN1_helical)
4 ILE A 109
ILE A 170
ILE A 153
VAL A 179
None
0.71A 2nniA-3m1mA:
undetectable
2nniA-3m1mA:
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA


(Methanothermobacter
marburgensis)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
4 ILE B  85
ILE B  93
ASN B 174
VAL B 160
None
0.67A 2nniA-3m2rB:
undetectable
2nniA-3m2rB:
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ILE A 226
ILE A  10
ARG A 246
VAL A 245
ALA A  35
None
None
PEG  A 717 (-4.8A)
None
None
1.19A 2nniA-3m49A:
undetectable
2nniA-3m49A:
19.77
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.
3mmz PUTATIVE HAD FAMILY
HYDROLASE


(Streptomyces
avermitilis)
PF08282
(Hydrolase_3)
4 ILE A  48
ILE A 151
ILE A 158
ILE A  78
None
0.71A 2nniA-3mmzA:
undetectable
2nniA-3mmzA:
17.40
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.
3mn3 CARBON
CATABOLITE-DEREPRESS
ING PROTEIN KINASE


(Saccharomyces
cerevisiae)
PF00069
(Pkinase)
4 ILE A 162
ILE A 161
ILE A 115
ILE A 297
None
0.62A 2nniA-3mn3A:
undetectable
2nniA-3mn3A:
20.51
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2


(Saccharomyces
cerevisiae)
PF10193
(Telomere_reg-2)
4 ILE A 258
ILE A 228
ILE A 267
ALA A 183
None
0.71A 2nniA-3o4zA:
undetectable
2nniA-3o4zA:
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I


(Rhodobacter
sphaeroides)
PF00115
(COX1)
4 ILE A 290
ILE A 289
ILE A 232
ALA A 205
HEA  A   2 ( 4.5A)
None
None
None
0.70A 2nniA-3omnA:
0.5
2nniA-3omnA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00132
(Hexapep)
PF04613
(LpxD)
4 ILE A 280
ILE A 282
ILE A 246
VAL A 286
None
0.68A 2nniA-3pmoA:
undetectable
2nniA-3pmoA:
22.27
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08084
(PROCT)
PF12134
(PRP8_domainIV)
4 ILE A2293
ILE A2259
ILE A2289
VAL A2224
None
0.66A 2nniA-3sbgA:
undetectable
2nniA-3sbgA:
23.54
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.
3sgg HYPOTHETICAL
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N)
4 ILE A 426
ILE A 431
ASN A 277
VAL A 276
None
0.71A 2nniA-3sggA:
undetectable
2nniA-3sggA:
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.
3sl1 ARGINASE

(Plasmodium
falciparum)
PF00491
(Arginase)
5 ILE A 215
ILE A 320
ILE A 200
ILE A 268
VAL A 361
None
0.88A 2nniA-3sl1A:
undetectable
2nniA-3sl1A:
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF


(Bacillus
anthracis)
PF02016
(Peptidase_S66)
5 ILE A 167
ILE A 327
ARG A 205
ILE A 308
VAL A 314
None
1.39A 2nniA-3sr3A:
undetectable
2nniA-3sr3A:
21.01
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.
3t4x OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY


(Bacillus
anthracis)
PF00106
(adh_short)
5 ILE A  19
ILE A  23
ILE A  36
ARG A 135
ALA A  10
None
1.43A 2nniA-3t4xA:
undetectable
2nniA-3t4xA:
21.00