SIMILAR PATTERNS OF AMINO ACIDS FOR 4BUP_A_SAMA500

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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 GLY A 623
ALA A 622
SER A 460
TYR A 462
PHE A 486
 None
 1.22A 4bupA-1jqkA:
undetectable		 4bupA-1jqkA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 GLY A 481
ALA A 479
HIS A 746
TYR A 194
GLU A 675
 None
None
PLD  A2007 ( 3.9A)
PLD  A2005 (-4.4A)
None
 1.48A 4bupA-1lshA:
undetectable		 4bupA-1lshA:
13.18
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 241
HIS A 242
TYR A 283
CYH A 306
CYH A 308
 SAH  A 319 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 ( 2.3A)
ZN  A   4 (-2.2A)
 0.50A 4bupA-1pegA:
7.8		 4bupA-1pegA:
23.71
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 153
GLY A 154
ALA A 192
HIS A 171
CYH A 139
 None
 1.48A 4bupA-1rvkA:
undetectable		 4bupA-1rvkA:
19.29
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 TYR A 298
GLY A 145
ALA A 147
ASN A 258
TYR A 212
 None
FAD  A 501 ( 4.9A)
None
None
None
 1.44A 4bupA-1zr6A:
undetectable		 4bupA-1zr6A:
17.48
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.
2cb9 FENGYCIN SYNTHETASE

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.00A 4bupA-2cb9A:
undetectable		 4bupA-2cb9A:
22.03
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 SER A 221
ASN A 242
HIS A 243
TYR A 287
PHE A 302
 SAM  A 801 (-4.3A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
SAM  A 801 (-3.9A)
 1.18A 4bupA-2h21A:
7.0		 4bupA-2h21A:
22.12
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 GLY A  60
ALA A  92
SER A 117
TYR A 114
PHE A 144
 None
 1.40A 4bupA-2jf7A:
undetectable		 4bupA-2jf7A:
18.05
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.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 TYR A  80
GLY A  79
ALA A  82
SER A 429
GLU A 400
 None
None
None
HEM  A 500 (-2.9A)
None
 1.43A 4bupA-2nnjA:
undetectable		 4bupA-2nnjA:
21.33
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 219
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 0.48A 4bupA-2r3aA:
8.3		 4bupA-2r3aA:
23.29
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 163
ALA A 160
SER A 118
PHE A 286
GLU A 276
 None
None
None
None
MG  A1449 ( 2.7A)
 1.38A 4bupA-2vqdA:
undetectable		 4bupA-2vqdA:
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 ASN A3906
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4971 (-3.1A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
 0.44A 4bupA-2w5zA:
8.4		 4bupA-2w5zA:
25.87
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.
2z67 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Methanococcus
maripaludis) 		PF05889
(SepSecS) 		5 GLY A 248
ALA A 249
ASN A 279
TYR A 328
PHE A 122
 None
PLP  A1001 (-3.4A)
None
None
None
 1.25A 4bupA-2z67A:
undetectable		 4bupA-2z67A:
21.34
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.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		5 GLY A 406
ALA A 405
SER A  61
PHE A  21
GLU A  14
 None
 1.46A 4bupA-2zblA:
undetectable		 4bupA-2zblA:
18.97
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 209
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 0.51A 4bupA-3bo5A:
8.3		 4bupA-3bo5A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cph RAS-RELATED PROTEIN
SEC4

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 GLU A  80
GLY A  78
ALA A  77
HIS A 121
TYR A  90
 GDP  A 302 ( 4.7A)
None
None
None
None
 1.42A 4bupA-3cphA:
undetectable		 4bupA-3cphA:
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 GLU A 358
GLY A 207
ALA A 208
SER A 348
CYH A 388
 None
 1.41A 4bupA-3gsiA:
undetectable		 4bupA-3gsiA:
14.69
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.
3iab RIBONUCLEASES P/MRP
PROTEIN SUBUNIT POP7

(Saccharomyces
cerevisiae) 		PF12328
(Rpp20) 		5 GLY B  67
ALA B  71
SER B  43
HIS B  81
PHE B  82
 A  R  91 ( 3.2A)
A  R  91 ( 3.7A)
U  R  89 ( 2.8A)
None
None
 1.43A 4bupA-3iabB:
undetectable		 4bupA-3iabB:
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 GLY A 131
ALA A 132
SER A 310
PHE A 403
GLU A 402
 None
 1.44A 4bupA-3k1dA:
undetectable		 4bupA-3k1dA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ASN A 205
HIS A 206
TYR A 252
PHE A 272
CYH A 274
 SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
ZN  A 497 (-2.2A)
 1.04A 4bupA-3n71A:
5.9		 4bupA-3n71A:
19.52
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 HIS A 206
TYR A 252
PHE A 272
CYH A 274
CYH A 276
 None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
ZN  A 497 (-2.2A)
ZN  A 497 (-2.5A)
 1.06A 4bupA-3n71A:
5.9		 4bupA-3n71A:
19.52
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.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		no annotation 5 GLY A 100
SER A 210
HIS A 169
TYR A 151
PHE A 171
 None
PEG  A 329 (-3.6A)
None
None
None
 1.46A 4bupA-3nqiA:
undetectable		 4bupA-3nqiA:
20.07
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 ASN A 169
HIS A 170
TYR A 207
CYH A 219
CYH A 221
 SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
ZN  A 232 (-2.3A)
 0.37A 4bupA-3ooiA:
8.9		 4bupA-3ooiA:
25.35
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.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		5 ASN A2217
HIS A2218
TYR A2255
CYH A2268
CYH A2270
 SAM  A   7 (-3.9A)
None
None
ZN  A   1 ( 2.5A)
ZN  A   1 (-2.7A)
 0.53A 4bupA-3opeA:
8.4		 4bupA-3opeA:
24.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		12 TYR A 114
GLU A 117
GLY A 120
ALA A 121
SER A 161
ASN A 182
HIS A 183
TYR A 217
PHE A 222
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-2.8A)
SAH  A1247 (-3.2A)
SAH  A1247 (-4.1A)
None
SAH  A1247 (-3.1A)
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.68A 4bupA-4au7A:
32.5		 4bupA-4au7A:
59.63
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 TYR A  83
GLY A  85
ALA A  88
SER A 441
GLU A 456
 None
 1.35A 4bupA-4b90A:
undetectable		 4bupA-4b90A:
17.72
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 TYR A  83
GLY A  85
ALA A  88
SER A 441
GLU A 456
 None
 1.38A 4bupA-4b92A:
undetectable		 4bupA-4b92A:
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  62
ALA A  80
HIS A  58
CYH A  37
CYH A 145
 None
None
ZN  A 402 (-3.3A)
ZN  A 402 ( 2.4A)
ZN  A 402 ( 2.3A)
 1.44A 4bupA-4gkvA:
undetectable		 4bupA-4gkvA:
19.78
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 TYR A 235
GLY A 233
HIS A 225
PHE A 622
GLU A 620
 None
 1.26A 4bupA-4l37A:
undetectable		 4bupA-4l37A:
17.18
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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		5 GLY A 117
ALA A 115
HIS A  12
GLU A  17
CYH A  16
 None
 1.38A 4bupA-4lfeA:
undetectable		 4bupA-4lfeA:
21.25
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 ASN A 551
HIS A 552
TYR A 593
CYH A 612
CYH A 614
 SAH  A 801 (-3.2A)
None
None
ZN  A 805 ( 2.4A)
ZN  A 805 ( 2.4A)
 0.45A 4bupA-4qeoA:
8.0		 4bupA-4qeoA:
18.76
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  70
ALA A  88
HIS A  66
CYH A  43
CYH A 153
 None
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.2A)
ZN  A 401 (-2.3A)
 1.35A 4bupA-4w6zA:
undetectable		 4bupA-4w6zA:
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 GLY A 342
ALA A 341
ASN A 309
HIS A 306
PHE A 438
 None
 1.49A 4bupA-4wboA:
undetectable		 4bupA-4wboA:
21.93
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.
4y1k OUTER MEMBRANE
PROTEIN OPRM

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 GLY A 447
ALA A  36
SER A 266
TYR A  18
GLU A 368
 None
 1.42A 4bupA-4y1kA:
undetectable		 4bupA-4y1kA:
17.34
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 ASN A5474
HIS A5475
TYR A5512
CYH A5525
CYH A5527
 SAH  A5602 (-3.1A)
None
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
 0.38A 4bupA-4z4pA:
9.7		 4bupA-4z4pA:
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.
5b3h PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 TYR B 203
GLU B 200
GLY B 199
ALA B 452
SER B 456
 None
 1.37A 4bupA-5b3hB:
undetectable		 4bupA-5b3hB:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		12 TYR B 203
GLU B 206
GLY B 209
ALA B 210
SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 0.49A 4bupA-5cprB:
36.0		 4bupA-5cprB:
98.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  97
ALA A  96
ASN A  68
TYR A  41
PHE A  35
 None
 1.46A 4bupA-5dgtA:
undetectable		 4bupA-5dgtA:
18.79
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 5 GLY A 202
SER A 257
HIS A 263
GLU A 210
CYH A 211
 None
 1.27A 4bupA-5f0oA:
undetectable		 4bupA-5f0oA:
14.44
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 ASN A4848
HIS A4849
TYR A4886
CYH A4899
CYH A4901
 SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
ZN  A5001 ( 2.0A)
ZN  A5001 (-2.3A)
 0.48A 4bupA-5f59A:
10.0		 4bupA-5f59A:
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		5 ASN A3906
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4001 (-3.0A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
 0.53A 4bupA-5f6lA:
9.3		 4bupA-5f6lA:
23.91
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ASN A 206
HIS A 207
TYR A 240
PHE A 260
CYH A 262
 SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
SAM  A 501 (-3.6A)
ZN  A 505 (-2.3A)
 1.04A 4bupA-5kjmA:
6.9		 4bupA-5kjmA:
19.68
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 ASN A1141
HIS A1142
TYR A1179
CYH A1191
CYH A1193
 SAM  A1304 (-2.9A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-2.3A)
 0.41A 4bupA-5lsuA:
8.8		 4bupA-5lsuA:
25.26
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6)
PF00374
(NiFeSe_Hases) 		5 GLU E  57
GLY E  58
SER E  18
CYH F 442
CYH F 445
 SF4  E 302 (-3.8A)
SF4  E 302 ( 4.9A)
None
NFU  F 501 (-2.2A)
NFU  F 501 (-2.4A)
 1.26A 4bupA-5odrE:
undetectable		 4bupA-5odrE:
24.39
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 SER A1084
ASN A1112
HIS A1113
TYR A1154
CYH A1168
CYH A1170
 SAM  A1505 (-3.8A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
ZN  A1504 (-2.2A)
 1.26A 4bupA-5tuyA:
9.0		 4bupA-5tuyA:
21.85
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A1200
HIS A1201
TYR A1242
CYH A1256
CYH A1258
 SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 ( 2.4A)
ZN  A3005 (-2.3A)
 0.40A 4bupA-5vsdA:
10.6		 4bupA-5vsdA:
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.
5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6)
PF00374
(NiFeSe_Hases) 		5 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.18A 4bupA-5xfaC:
undetectable		 4bupA-5xfaC:
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.
5xxg -

(-) 		no annotation 5 ASN A 205
HIS A 206
TYR A 239
PHE A 259
CYH A 261
 SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
SAM  A 502 (-3.5A)
ZN  A 503 (-2.2A)
 1.16A 4bupA-5xxgA:
6.3		 4bupA-5xxgA:
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 ASN A1223
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 SAM  A1301 (-3.2A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 0.54A 4bupA-6cenA:
8.6		 4bupA-6cenA:
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.
6f5o POLYMERASE ACIDIC
PROTEIN
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus;
Influenza B
virus) 		no annotation
no annotation 		5 GLU A 585
GLY B 539
SER A 580
PHE A 629
CYH A 603
 None
 1.45A 4bupA-6f5oA:
undetectable		 4bupA-6f5oA:
undetectable