SIMILAR PATTERNS OF AMINO ACIDS FOR 4DF3_B_SAMB301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ak6 DESTRIN

(Homo sapiens;
Sus scrofa) 		PF00241
(Cofilin_ADF) 		5 GLY A   4
ALA A   2
ALA A 118
ALA A 123
VAL A   5
 None
 1.23A 4df3B-1ak6A:
undetectable		 4df3B-1ak6A:
23.50
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 246
THR A  93
ALA A 252
VAL A  76
ALA A 320
 None
 1.24A 4df3B-1bucA:
undetectable		 4df3B-1bucA:
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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 346
ALA A 344
ALA A 194
ASP A 188
VAL A 349
 None
 1.00A 4df3B-1bvuA:
4.0		 4df3B-1bvuA:
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 ALA A  76
PHE A 142
VAL A 107
ASP A 141
ALA A 140
 None
 1.47A 4df3B-1evqA:
undetectable		 4df3B-1evqA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 LYS A  58
ALA A  83
ALA A 107
ASP A 130
ALA A 131
 None
 1.35A 4df3B-1fbnA:
31.4		 4df3B-1fbnA:
48.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
GLY A  82
ALA A 107
ASP A 130
ALA A 131
ASP A 150
 None
 0.72A 4df3B-1fbnA:
31.4		 4df3B-1fbnA:
48.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
GLY A  82
THR A  87
ALA A 131
ASP A 150
VAL A 151
 None
 0.70A 4df3B-1fbnA:
31.4		 4df3B-1fbnA:
48.07
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 ALA A 287
ALA A 295
VAL A 290
ALA A 300
ASP A 389
 None
 1.23A 4df3B-1i7oA:
undetectable		 4df3B-1i7oA:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT
GLYCEROL DEHYDRATASE
GAMMA SUBUNIT

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU)
PF02287
(Dehydratase_SU) 		5 GLY A 292
ALA G  68
ALA G  61
VAL A 293
GLN A 294
 None
 1.29A 4df3B-1iwpA:
undetectable		 4df3B-1iwpA:
18.48
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 365
ALA A 363
THR A 383
ALA A 346
VAL A 347
 IMP  A1331 ( 3.9A)
None
None
None
None
 1.37A 4df3B-1jr1A:
undetectable		 4df3B-1jr1A:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 GLY A  65
ALA A  67
THR A  70
ASP A 113
ALA A 114
ASP A 133
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.54A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 GLY A  65
ALA A  67
THR A  70
ASP A 113
ALA A 114
GLN A 136
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
 0.74A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 LYS A  42
GLY A  65
ALA A  67
ASP A 113
ALA A 114
ASP A 133
 SAM  A 301 (-3.0A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.61A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 634
ALA A 484
THR A 466
ALA A 534
ALA A 636
 None
 1.27A 4df3B-1q3xA:
undetectable		 4df3B-1q3xA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 ALA A  81
ALA A 104
ALA A  23
VAL A  19
GLN A 301
 None
 1.33A 4df3B-1sc6A:
6.8		 4df3B-1sc6A:
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.
1vpk DNA POLYMERASE III,
BETA SUBUNIT

(Thermotoga
maritima) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ALA A  55
PHE A  33
ALA A  46
VAL A  53
ASP A  12
 None
 1.29A 4df3B-1vpkA:
undetectable		 4df3B-1vpkA:
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A  81
ALA A 128
VAL A  99
ALA A 132
VAL A 142
 None
 1.32A 4df3B-1xfjA:
undetectable		 4df3B-1xfjA:
22.22
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 GLY B 345
ALA B 343
VAL B  63
ALA B 330
VAL B 348
 None
 1.38A 4df3B-1y56B:
2.6		 4df3B-1y56B:
20.21
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.
2bcc UBIQUINOL CYTOCHROME
C OXIDOREDUCTASE

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY A  38
THR A  95
ALA A 114
VAL A 117
VAL A  37
 None
 1.50A 4df3B-2bccA:
undetectable		 4df3B-2bccA:
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A  26
THR A  53
ALA A 212
ALA A 178
VAL A  47
 FAD  A1001 (-3.8A)
None
None
FAD  A1001 (-3.5A)
None
 1.08A 4df3B-2h88A:
undetectable		 4df3B-2h88A:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 ALA A 170
THR A 174
PHE A 193
ASP A 217
GLN A 240
 MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.27A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		9 GLY A 168
ALA A 170
THR A 173
PHE A 193
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 0.52A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA A 302
ALA A 258
VAL A 304
ALA A 188
VAL A 174
 None
 1.04A 4df3B-2okcA:
10.7		 4df3B-2okcA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLY A  62
ALA A 274
THR A 312
PHE A 287
ASP A  70
 None
 1.46A 4df3B-2p50A:
undetectable		 4df3B-2p50A:
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  15
VAL A  96
ASP A  53
ALA A  52
VAL A  24
 None
 1.31A 4df3B-2q1yA:
3.8		 4df3B-2q1yA:
21.66
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 100
ALA A 104
VAL A 149
VAL A  99
GLN A 109
 None
 1.38A 4df3B-2qzwA:
undetectable		 4df3B-2qzwA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 GLY A  94
ALA A 185
VAL A 223
ALA A 219
VAL A 121
 GLY  A  94 ( 0.0A)
ALA  A 185 ( 0.0A)
VAL  A 223 ( 0.6A)
ALA  A 219 ( 0.0A)
VAL  A 121 ( 0.6A)
 0.96A 4df3B-2rciA:
undetectable		 4df3B-2rciA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 THR A 182
PHE A  25
VAL A   5
ALA A  22
VAL A 215
 DGL  A1256 (-3.1A)
None
None
None
None
 1.10A 4df3B-2w4iA:
2.0		 4df3B-2w4iA:
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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 137
ALA A 282
THR A 112
ALA A  59
VAL A 136
 None
 1.15A 4df3B-2x3eA:
undetectable		 4df3B-2x3eA:
20.97
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A  17
ALA A  21
ALA A 316
ASP A 311
ALA A 308
 None
None
None
None
FAD  A1371 (-3.6A)
 1.22A 4df3B-2x3nA:
4.9		 4df3B-2x3nA:
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 219
ALA A 222
ASP A 215
ALA A 212
ASP A 100
 None
 0.98A 4df3B-3afeA:
undetectable		 4df3B-3afeA:
19.90
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY B 432
ALA B 257
ASP B 337
ALA B 336
VAL B 430
 None
 1.10A 4df3B-3amjB:
undetectable		 4df3B-3amjB:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 211
ALA A  43
THR A  22
VAL A  48
ALA A 182
 None
None
None
None
NAD  A 500 (-4.0A)
 1.44A 4df3B-3b4wA:
3.7		 4df3B-3b4wA:
19.32
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.
3ctm CARBONYL REDUCTASE

(Candida
parapsilosis) 		PF13561
(adh_short_C2) 		5 GLY A  58
ALA A  55
THR A  80
ALA A  37
VAL A  61
 None
 0.99A 4df3B-3ctmA:
7.3		 4df3B-3ctmA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbp GALACTOSE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		5 LYS A 125
GLY A 297
ALA A 237
ASP A 299
VAL A 298
 None
 1.43A 4df3B-3gbpA:
4.4		 4df3B-3gbpA:
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
THR A  99
ALA A 145
ASP A 163
VAL A 164
 None
 0.70A 4df3B-3gjyA:
12.2		 4df3B-3gjyA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
THR A  99
ASP A 144
ALA A 145
ASP A 163
 None
 0.85A 4df3B-3gjyA:
12.2		 4df3B-3gjyA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 GLY A  44
THR A 138
ALA A  58
VAL A  97
VAL A  61
 None
 1.32A 4df3B-3gocA:
undetectable		 4df3B-3gocA:
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		5 GLY A  98
ALA A 102
ALA A 152
VAL A 153
ALA A 145
 None
None
None
GOL  A 342 (-4.5A)
None
 1.29A 4df3B-3gs6A:
undetectable		 4df3B-3gs6A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 GLY X 781
ALA X 694
ALA X 697
VAL X 751
ASP X1007
 None
 1.42A 4df3B-3lxuX:
2.6		 4df3B-3lxuX:
11.82
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 GLY A 276
ALA A 279
ALA A 249
VAL A 282
ALA A 256
 None
 0.95A 4df3B-3q1yA:
3.8		 4df3B-3q1yA:
20.76
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		5 GLY A 164
THR A  99
ALA A 135
VAL A 118
ALA A 169
 None
 1.26A 4df3B-3qh4A:
undetectable		 4df3B-3qh4A:
20.50
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.
3rnr STAGE II SPORULATION
E FAMILY PROTEIN

(Thermanaerovibrio
acidaminovorans) 		PF07228
(SpoIIE) 		5 ALA A 174
THR A 202
ALA A 176
VAL A   1
ALA A 183
 None
 1.44A 4df3B-3rnrA:
undetectable		 4df3B-3rnrA:
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 ALA A 362
ALA A  62
VAL A  17
ASP A 106
ALA A 105
 None
 1.39A 4df3B-3s2jA:
undetectable		 4df3B-3s2jA:
22.00
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		5 PHE A 130
ALA A 135
VAL A 140
ALA A 129
ASP A 230
 None
 1.47A 4df3B-3tdwA:
undetectable		 4df3B-3tdwA:
21.05
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.
3uho GLUTAMATE RACEMASE

(Campylobacter
jejuni) 		PF01177
(Asp_Glu_race) 		5 THR A 181
PHE A  25
VAL A   5
ALA A  22
VAL A 208
 DGL  A 260 (-3.0A)
None
None
None
None
 1.12A 4df3B-3uhoA:
2.5		 4df3B-3uhoA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  47
ALA A 359
ALA A 357
VAL A 292
ASP A  39
 None
 1.50A 4df3B-3wy7A:
2.3		 4df3B-3wy7A:
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 ALA A 394
THR A 396
ALA A 158
VAL A 163
VAL A 388
 None
 1.47A 4df3B-3zlbA:
4.3		 4df3B-3zlbA:
21.70
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.
3zle APICAL MEMBRANE
ANTIGEN 1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		5 ALA A 358
PHE A 352
ALA A 429
ASP A 360
VAL A 125
 None
 1.11A 4df3B-3zleA:
undetectable		 4df3B-3zleA:
19.90
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.
4ab5 TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF03466
(LysR_substrate) 		5 GLY A 171
ALA A 241
THR A 197
VAL A 234
VAL A 170
 None
 1.45A 4df3B-4ab5A:
undetectable		 4df3B-4ab5A:
24.21
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 163
ALA A 161
ALA A  50
VAL A 456
VAL A  44
 None
 1.18A 4df3B-4autA:
undetectable		 4df3B-4autA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
ASP E 130
ALA E 131
VAL E 151
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
None
G  A  24 ( 3.0A)
 0.78A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
VAL E 110
ALA E 131
VAL E 151
GLN E 153
 None
C  X   5 ( 2.4A)
G  A  21 ( 4.3A)
None
None
G  A  24 ( 3.0A)
 0.75A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
THR E  86
VAL E 110
ALA E 131
VAL E 151
GLN E 153
 None
A  X   7 ( 3.5A)
G  A  21 ( 4.3A)
None
None
G  A  24 ( 3.0A)
 0.70A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		7 LYS E  57
GLY E  81
ASP E 130
ALA E 131
ASP E 150
VAL E 151
GLN E 153
 C  X   5 ( 2.7A)
None
None
None
C  X   5 ( 3.2A)
None
G  A  24 ( 3.0A)
 1.08A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 LYS E  57
GLY E  81
VAL E 110
ALA E 131
VAL E 151
GLN E 153
 C  X   5 ( 2.7A)
None
G  A  21 ( 4.3A)
None
None
G  A  24 ( 3.0A)
 0.87A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 ALA A  87
THR A  91
PHE A 110
ASP A 134
GLN A 157
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.8A)
 1.29A 4df3B-4df3A:
42.0		 4df3B-4df3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		12 LYS A  61
GLY A  85
ALA A  87
THR A  90
PHE A 110
ALA A 111
VAL A 114
ASP A 134
ALA A 135
ASP A 154
VAL A 155
GLN A 157
 SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 3.9A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.8A)
 0.15A 4df3B-4df3A:
42.0		 4df3B-4df3A:
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C)
PF08676
(MutL_C) 		5 GLY B 678
THR B 831
VAL B 700
ALA A 550
VAL B 677
 None
 1.42A 4df3B-4e4wB:
undetectable		 4df3B-4e4wB:
22.90
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ALA A 277
ALA A 180
VAL A 153
ASP A 233
ALA A 234
 None
 1.39A 4df3B-4e84A:
4.5		 4df3B-4e84A:
23.56
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.
4gci GLUTATHIONE
S-TRANSFERASE

(Yersinia pestis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A  67
ALA A 157
VAL A  18
ALA A 103
VAL A  68
 GSH  A 302 (-4.0A)
None
None
None
None
 1.25A 4df3B-4gciA:
undetectable		 4df3B-4gciA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A  70
ALA A  72
VAL A  75
ALA A 144
ASP A  68
 None
 1.14A 4df3B-4hdsA:
undetectable		 4df3B-4hdsA:
22.68
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.
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		5 LYS A  31
GLY A  83
ASP A  81
VAL A  78
GLN A  79
 None
 1.34A 4df3B-4iinA:
9.3		 4df3B-4iinA:
24.75
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.
4kcb ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		5 GLY A 287
THR A 200
ALA A 265
VAL A 249
ASP A 283
 None
 1.44A 4df3B-4kcbA:
undetectable		 4df3B-4kcbA:
21.40
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 290
ALA A 220
VAL A 294
ALA A 212
GLN A 271
 None
 1.18A 4df3B-4kkmA:
undetectable		 4df3B-4kkmA:
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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 130
ALA A 127
ALA A 100
VAL A 143
ALA A 134
 None
 1.21A 4df3B-4p52A:
undetectable		 4df3B-4p52A:
21.87
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 GLY A 258
THR A 181
VAL A 320
VAL A 261
GLN A 264
 None
 1.29A 4df3B-5ah0A:
undetectable		 4df3B-5ah0A:
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.
5b3v BILIVERDIN REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY B  14
THR B  18
ASP B  73
VAL B  38
GLN B  36
 None
NAP  B 401 (-3.5A)
None
None
None
 1.40A 4df3B-5b3vB:
7.0		 4df3B-5b3vB:
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 GLY A 228
ALA A 378
VAL A 221
VAL A 231
GLN A 234
 ANP  A 601 (-3.2A)
None
None
ANP  A 601 (-4.1A)
None
 1.38A 4df3B-5bn4A:
2.0		 4df3B-5bn4A:
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ALA A 267
ALA A 723
VAL A 714
VAL A 247
GLN A 238
 None
 1.26A 4df3B-5c9iA:
undetectable		 4df3B-5c9iA:
14.62
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 ALA A 154
ALA A  74
VAL A  50
ASP A  65
ALA A  62
 None
 1.16A 4df3B-5ghaA:
3.7		 4df3B-5ghaA:
26.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		7 GLY E  84
ALA E  86
PHE E 109
ASP E 133
ALA E 134
ASP E 153
GLN E 156
 SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 (-3.8A)
 0.52A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		8 GLY E  84
ALA E  86
THR E  89
PHE E 109
VAL E 113
ASP E 133
ALA E 134
ASP E 153
 SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
A  I   6 ( 3.5A)
SAH  E 301 (-3.6A)
None
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
 0.37A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		7 LYS E  60
GLY E  84
ALA E  86
THR E  89
VAL E 113
ALA E 134
ASP E 153
 U  I   4 ( 3.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
A  I   6 ( 3.5A)
None
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
 0.53A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		5 GLY A 475
ALA A  10
ALA A 216
ASP A 499
ALA A 494
 None
 1.20A 4df3B-5ikzA:
undetectable		 4df3B-5ikzA:
12.81
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY L 166
ALA L 170
ALA L 463
ASP L 458
ALA L 455
 None
None
None
None
FAD  L 503 (-3.5A)
 1.29A 4df3B-5jfcL:
4.3		 4df3B-5jfcL:
21.52
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.
5jo9 RIBITOL
2-DEHYDROGENASE

(Bradyrhizobium
japonicum) 		PF00106
(adh_short) 		5 GLY A  18
ALA A 211
ALA A 215
VAL A 214
ALA A  15
 PO4  A 301 (-3.4A)
None
None
None
None
 1.43A 4df3B-5jo9A:
8.9		 4df3B-5jo9A:
23.90
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.
5kws GALACTOSE-BINDING
PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 LYS A 125
GLY A 297
ALA A 237
ASP A 299
VAL A 298
 None
 1.43A 4df3B-5kwsA:
undetectable		 4df3B-5kwsA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLY A1670
ALA A1662
VAL A1656
ALA A1625
VAL A1669
 None
 1.15A 4df3B-5m59A:
2.2		 4df3B-5m59A:
9.27
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.
5mzy GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT A

(Myxococcus
xanthus) 		PF01144
(CoA_trans) 		5 GLY A 173
ALA A 169
ALA A 195
VAL A 197
ASP A 215
 None
 1.45A 4df3B-5mzyA:
undetectable		 4df3B-5mzyA:
23.26
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 GLY A  19
ALA A  23
ALA A 335
ASP A 330
ALA A 327
 None
None
None
None
FAD  A 501 (-3.6A)
 1.28A 4df3B-5nagA:
2.6		 4df3B-5nagA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5c PUTATIVE
DECARBOXYLASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 5 ALA A 263
VAL A 207
ASP A 320
ALA A 319
ASP A 277
 None
 1.48A 4df3B-5o5cA:
undetectable		 4df3B-5o5cA:
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 6

(Homo sapiens) 		PF01399
(PCI)
PF10602
(RPN7) 		5 THR Y 218
ALA Y 190
ASP Y 193
ALA Y 197
VAL Y 226
 None
 1.47A 4df3B-5vhiY:
undetectable		 4df3B-5vhiY:
19.95
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		5 GLY A 176
THR A 149
ALA A 203
ALA A  29
VAL A 333
 None
 1.20A 4df3B-5vprA:
2.6		 4df3B-5vprA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
ALA A  64
ASP A 113
ALA A 114
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
 0.50A 4df3B-5zw4A:
16.2		 4df3B-5zw4A:
22.44
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 THR A 250
PHE A 393
VAL A  20
ALA A 392
GLN A 310
 None
MAL  A 501 (-4.6A)
None
None
MAL  A 501 (-4.1A)
 1.09A 4df3B-6bvgA:
undetectable		 4df3B-6bvgA:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLY B 540
ALA B 100
ASP B 471
ASP B 539
VAL B 536
 None
 1.05A 4df3B-6f0kB:
undetectable		 4df3B-6f0kB:
undetectable