SIMILAR PATTERNS OF AMINO ACIDS FOR 5CPR_B_SAMB402_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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 243
ALA A 241
PHE A 102
SER A 220
GLU A 136
 None
None
CU  A 556 ( 4.9A)
None
None
 1.31A 5cprB-1asoA:
undetectable		 5cprB-1asoA:
17.93
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 GLY A 410
ALA A 412
PHE A 430
CYH A 314
CYH A 374
 None
 1.10A 5cprB-1ex0A:
undetectable		 5cprB-1ex0A:
16.22
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.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		5 GLY A 450
ALA A 451
PHE A 416
SER A 325
PHE A 322
 None
 1.18A 5cprB-1gcbA:
undetectable		 5cprB-1gcbA:
20.09
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.
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
 1.40A 5cprB-1lshA:
undetectable		 5cprB-1lshA:
12.61
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.
1oki BETA CRYSTALLIN B1

(Homo sapiens) 		PF00030
(Crystall) 		5 GLY A  56
SER A  96
PHE A 138
CYH A  79
GLU A  78
 None
 1.42A 5cprB-1okiA:
undetectable		 5cprB-1okiA:
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 PHE A 239
HIS A 242
TYR A 283
CYH A 306
CYH A 308
 None
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 ( 2.3A)
ZN  A   4 (-2.2A)
 1.21A 5cprB-1pegA:
6.6		 5cprB-1pegA:
23.44
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		5 GLY A 268
ALA A 266
SER A 261
PHE A 279
CYH A 121
 None
PLM  A 702 ( 4.6A)
None
None
None
 1.49A 5cprB-1pzxA:
undetectable		 5cprB-1pzxA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.45A 5cprB-1rvkA:
undetectable		 5cprB-1rvkA:
20.29
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 256
ALA A 255
SER A  55
PHE A  38
GLU A  37
 None
 1.18A 5cprB-1vb3A:
undetectable		 5cprB-1vb3A:
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 201
GLY A 178
ALA A 177
PHE A 202
GLU A 219
 None
 1.49A 5cprB-2a8xA:
undetectable		 5cprB-2a8xA:
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.
2cq2 HYPOTHETICAL PROTEIN
LOC91801

(Homo sapiens) 		PF00076
(RRM_1) 		5 TYR A  87
ALA A  73
PHE A  84
SER A  83
CYH A  68
 None
 1.39A 5cprB-2cq2A:
undetectable		 5cprB-2cq2A:
18.15
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 GLY A 463
ALA A 341
PHE A 315
SER A 336
GLU A 303
 None
 1.47A 5cprB-2dpgA:
undetectable		 5cprB-2dpgA:
19.76
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.
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
 1.41A 5cprB-2nnjA:
undetectable		 5cprB-2nnjA:
20.89
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 PHE A 217
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 None
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 1.31A 5cprB-2r3aA:
7.4		 5cprB-2r3aA:
23.51
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A  63
ALA A  58
SER A  18
HIS A  24
GLU A 119
 None
 1.42A 5cprB-2rgjA:
undetectable		 5cprB-2rgjA:
18.78
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 PHE A3904
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 None
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
 1.38A 5cprB-2w5zA:
7.4		 5cprB-2w5zA:
25.70
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 PHE A 207
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 None
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 1.45A 5cprB-3bo5A:
7.2		 5cprB-3bo5A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		5 GLY A 226
ALA A 227
SER A 256
PHE A 190
GLU A 222
 None
 1.27A 5cprB-3e3mA:
undetectable		 5cprB-3e3mA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 5cprB-3k1dA:
undetectable		 5cprB-3k1dA:
15.82
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.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		no annotation 5 GLY A 100
PHE A 212
HIS A 169
TYR A 151
PHE A 171
 None
PEG  A 329 (-4.8A)
None
None
None
 1.26A 5cprB-3nqiA:
undetectable		 5cprB-3nqiA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		5 PHE A2215
HIS A2218
TYR A2255
CYH A2268
CYH A2270
 None
None
None
ZN  A   1 ( 2.5A)
ZN  A   1 (-2.7A)
 1.34A 5cprB-3opeA:
7.4		 5cprB-3opeA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 TYR A 527
ALA A 523
PHE A 555
SER A 245
GLU A 531
 None
 1.50A 5cprB-3welA:
undetectable		 5cprB-3welA:
15.28
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) 		5 GLY A 156
SER A 161
HIS A 183
TYR A 217
CYH A 229
 None
None
SAH  A1247 (-4.6A)
None
ZN  A1248 ( 2.3A)
 1.26A 5cprB-4au7A:
33.4		 5cprB-4au7A:
60.07
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
PHE A 160
SER A 161
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
None
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.47A 5cprB-4au7A:
33.4		 5cprB-4au7A:
60.07
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) 		8 TYR A 114
GLU A 117
GLY A 120
PHE A 160
SER A 161
HIS A 183
TYR A 217
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-2.8A)
SAH  A1247 (-3.2A)
None
None
SAH  A1247 (-4.6A)
None
ZN  A1248 ( 2.2A)
 1.47A 5cprB-4au7A:
33.4		 5cprB-4au7A:
60.07
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) 		8 TYR A 114
GLU A 117
GLY A 120
SER A 161
HIS A 183
TYR A 217
GLU A 230
CYH A 229
 SAH  A1247 ( 3.6A)
SAH  A1247 (-2.8A)
SAH  A1247 (-3.2A)
None
SAH  A1247 (-4.6A)
None
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.3A)
 1.50A 5cprB-4au7A:
33.4		 5cprB-4au7A:
60.07
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.
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 GLY A 322
SER A 416
HIS A 299
CYH A 409
GLU A 408
 None
 1.33A 5cprB-4bqhA:
undetectable		 5cprB-4bqhA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.37A 5cprB-4gkvA:
undetectable		 5cprB-4gkvA:
20.33
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A  12
ALA A  85
SER A 191
PHE A  57
GLU A  61
 None
 1.49A 5cprB-4jb6A:
undetectable		 5cprB-4jb6A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 5cprB-4l37A:
undetectable		 5cprB-4l37A:
17.03
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.
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
 1.47A 5cprB-4lfeA:
undetectable		 5cprB-4lfeA:
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.
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)
 1.30A 5cprB-4w6zA:
undetectable		 5cprB-4w6zA:
20.06
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.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 GLU A 268
GLY A 267
ALA A 266
SER A 209
TYR A 116
 None
 1.38A 5cprB-4xdoA:
undetectable		 5cprB-4xdoA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 1.35A 5cprB-4zo6A:
undetectable		 5cprB-4zo6A:
16.50
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.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		5 TYR C 788
GLY C 786
PHE C 790
PHE C 826
CYH C 825
 None
 1.50A 5cprB-5a6fC:
undetectable		 5cprB-5a6fC:
16.36
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 TYR A 388
ALA A 392
PHE A 275
HIS A 128
CYH A 376
 None
 1.47A 5cprB-5ah0A:
undetectable		 5cprB-5ah0A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 TYR A 211
GLY A 164
ALA A 208
PHE A 238
PHE A 222
 None
 1.30A 5cprB-5by3A:
undetectable		 5cprB-5by3A:
15.38
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
PHE B 250
SER B 251
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)
None
SAM  B 402 (-3.9A)
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)
 0.01A 5cprB-5cprB:
41.8		 5cprB-5cprB:
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 GLY A  36
ALA A  35
SER A 215
TYR A 190
GLU A  42
 GLY  A  36 ( 0.0A)
ALA  A  35 ( 0.0A)
SER  A 215 ( 0.0A)
TYR  A 190 ( 1.3A)
GLU  A  42 ( 0.6A)
 1.31A 5cprB-5d7wA:
undetectable		 5cprB-5d7wA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		5 PHE A3904
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
 1.44A 5cprB-5f6lA:
8.6		 5cprB-5f6lA:
24.18
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 TYR C 118
GLY C 114
ALA C  26
PHE C  96
CYH C  18
 None
 1.28A 5cprB-5gnwC:
undetectable		 5cprB-5gnwC:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLY B 352
ALA B 354
PHE B 319
PHE B 372
CYH B 425
 None
 1.38A 5cprB-5iklB:
undetectable		 5cprB-5iklB:
18.25
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 PHE A1139
HIS A1142
TYR A1179
CYH A1191
CYH A1193
 SAM  A1304 (-4.7A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-2.3A)
 1.41A 5cprB-5lsuA:
7.9		 5cprB-5lsuA:
24.48
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 TYR A 341
GLU A 343
ALA A 556
SER A 400
CYH A 549
 None
 1.30A 5cprB-5n94A:
undetectable		 5cprB-5n94A:
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.
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)
 1.29A 5cprB-5odrE:
undetectable		 5cprB-5odrE:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 PHE A1110
HIS A1113
TYR A1154
CYH A1168
CYH A1170
 None
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
ZN  A1504 (-2.2A)
 1.38A 5cprB-5tuyA:
8.0		 5cprB-5tuyA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A1198
HIS A1201
TYR A1242
CYH A1256
CYH A1258
 None
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 ( 2.4A)
ZN  A3005 (-2.3A)
 1.36A 5cprB-5vsdA:
9.5		 5cprB-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)
 1.24A 5cprB-5xfaC:
undetectable		 5cprB-5xfaC:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 5 TYR A  62
GLU A  85
GLY A  81
ALA A  80
PHE A 143
 None
 1.25A 5cprB-5yhhA:
undetectable		 5cprB-5yhhA:
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 PHE A1221
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 None
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 1.42A 5cprB-6cenA:
7.3		 5cprB-6cenA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 200
PHE A 224
SER A  84
PHE A 129
GLU A 130
 None
 1.16A 5cprB-6fu4A:
undetectable		 5cprB-6fu4A:
undetectable