SIMILAR PATTERNS OF AMINO ACIDS FOR 3S8P_A_SAMA500_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.
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
 1.18A 3s8pA-1ex0A:
undetectable		 3s8pA-1ex0A:
16.41
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.
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
 1.23A 3s8pA-1jqkA:
undetectable		 3s8pA-1jqkA:
16.67
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.
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
 1.42A 3s8pA-1lshA:
undetectable		 3s8pA-1lshA:
12.87
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.
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)
 0.51A 3s8pA-1pegA:
7.5		 3s8pA-1pegA:
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.
1qu0 LAMININ ALPHA2 CHAIN

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 GLY A3002
ALA A3001
PHE A3072
SER A2978
ASN A2999
 None
 1.40A 3s8pA-1qu0A:
undetectable		 3s8pA-1qu0A:
19.01
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.
1ru4 PECTATE LYASE

(Dickeya
chrysanthemi) 		PF13229
(Beta_helix) 		5 GLY A 134
ALA A 157
PHE A 119
ASN A 174
HIS A 173
 None
 1.49A 3s8pA-1ru4A:
undetectable		 3s8pA-1ru4A:
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.
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
 1.49A 3s8pA-1rvkA:
undetectable		 3s8pA-1rvkA:
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.
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
 1.11A 3s8pA-1vb3A:
undetectable		 3s8pA-1vb3A:
22.45
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.
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
 1.45A 3s8pA-1zr6A:
undetectable		 3s8pA-1zr6A:
18.42
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.
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
 0.98A 3s8pA-2cb9A:
undetectable		 3s8pA-2cb9A:
21.89
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.
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)
 1.17A 3s8pA-2h21A:
7.2		 3s8pA-2h21A:
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.
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
 1.45A 3s8pA-2nnjA:
undetectable		 3s8pA-2nnjA:
20.22
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.
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)
 0.47A 3s8pA-2r3aA:
8.4		 3s8pA-2r3aA:
23.34
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.
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
 1.32A 3s8pA-2rgjA:
undetectable		 3s8pA-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.
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)
 1.44A 3s8pA-2vqdA:
undetectable		 3s8pA-2vqdA:
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.
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 3s8pA-2w5zA:
7.9		 3s8pA-2w5zA:
25.09
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.
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)
 0.49A 3s8pA-3bo5A:
8.5		 3s8pA-3bo5A:
22.86
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.
3f7c PROTEIN OF UNKNOWN
FUNCTION (DUF416)

(Marinobacter
hydrocarbonoclasticus) 		PF04222
(DUF416) 		5 TYR A  91
GLY A  89
ALA A  87
PHE A 129
SER A 133
 None
 1.37A 3s8pA-3f7cA:
undetectable		 3s8pA-3f7cA:
21.90
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.
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
 1.45A 3s8pA-3k1dA:
undetectable		 3s8pA-3k1dA:
15.77
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A 342
ALA A 345
PHE A 412
SER A 411
GLU A  20
 K  A5600 (-4.4A)
None
None
None
None
 1.31A 3s8pA-3l01A:
undetectable		 3s8pA-3l01A:
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.
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)
 1.00A 3s8pA-3n71A:
6.0		 3s8pA-3n71A:
19.20
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.
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)
 1.09A 3s8pA-3n71A:
6.0		 3s8pA-3n71A:
19.20
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.
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
 1.34A 3s8pA-3nqiA:
undetectable		 3s8pA-3nqiA:
19.22
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.
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
 1.45A 3s8pA-3nqiA:
undetectable		 3s8pA-3nqiA:
19.22
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.
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)
 0.36A 3s8pA-3ooiA:
8.6		 3s8pA-3ooiA:
24.56
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 PHE A 145
HIS A 170
TYR A 207
CYH A 219
CYH A 221
 None
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
ZN  A 232 (-2.3A)
 1.49A 3s8pA-3ooiA:
8.6		 3s8pA-3ooiA:
24.56
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.
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 3s8pA-3opeA:
8.6		 3s8pA-3opeA:
25.43
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		5 TYR A 559
GLY A 540
PHE A 292
HIS A 562
PHE A 646
 None
 1.42A 3s8pA-3pieA:
undetectable		 3s8pA-3pieA:
12.89
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TYR A 334
GLY A 216
PHE A  31
ASN A  26
GLU A 333
 None
 1.32A 3s8pA-3wd8A:
undetectable		 3s8pA-3wd8A:
20.94
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) 		11 TYR A 114
GLY A 120
ALA A 121
PHE A 160
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 (-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)
 0.29A 3s8pA-4au7A:
34.0		 3s8pA-4au7A:
60.00
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) 		11 TYR A 114
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 (-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)
 0.61A 3s8pA-4au7A:
34.0		 3s8pA-4au7A:
60.00
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.
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
 1.43A 3s8pA-4b92A:
undetectable		 3s8pA-4b92A:
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.
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
 1.28A 3s8pA-4l37A:
undetectable		 3s8pA-4l37A:
16.72
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.
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
 1.40A 3s8pA-4lfeA:
undetectable		 3s8pA-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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 100
ALA A  99
ASN A  71
TYR A  44
PHE A  38
 None
 1.47A 3s8pA-4q9dA:
undetectable		 3s8pA-4q9dA:
19.67
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.
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 3s8pA-4qeoA:
8.1		 3s8pA-4qeoA:
19.65
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.
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 3s8pA-4w6zA:
undetectable		 3s8pA-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.
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 3s8pA-4z4pA:
10.0		 3s8pA-4z4pA:
19.93
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.
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)
 1.06A 3s8pA-4zo6A:
undetectable		 3s8pA-4zo6A:
16.48
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.
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
 1.46A 3s8pA-5a6fC:
undetectable		 3s8pA-5a6fC:
17.49
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.
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
 1.37A 3s8pA-5by3A:
undetectable		 3s8pA-5by3A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLY A 104
ALA A 116
ASN A 244
HIS A  64
GLU A   8
 None
 1.19A 3s8pA-5cjfA:
undetectable		 3s8pA-5cjfA:
19.94
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) 		11 TYR B 203
GLY B 209
ALA B 210
PHE B 250
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 (-3.4A)
SAM  B 402 (-3.9A)
None
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)
 0.25A 3s8pA-5cprB:
38.0		 3s8pA-5cprB:
97.80
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) 		11 TYR B 203
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 (-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)
 0.46A 3s8pA-5cprB:
38.0		 3s8pA-5cprB:
97.80
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.
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
 1.45A 3s8pA-5dgtA:
undetectable		 3s8pA-5dgtA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.47A 3s8pA-5f59A:
10.6		 3s8pA-5f59A:
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.
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)
 0.51A 3s8pA-5f6lA:
9.3		 3s8pA-5f6lA:
23.74
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 TYR C 118
GLY C 114
ALA C  26
PHE C  96
CYH C  18
 None
 1.23A 3s8pA-5gnwC:
undetectable		 3s8pA-5gnwC:
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.
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)
 1.01A 3s8pA-5kjmA:
7.0		 3s8pA-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)
 0.39A 3s8pA-5lsuA:
9.0		 3s8pA-5lsuA:
22.71
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.
5te4 HIV-1 CLADE G STRAIN
X2088 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLY G 366
ALA G 365
SER G 388
HIS G 374
GLU G 370
 None
None
NAG  G 508 (-3.3A)
None
None
 1.45A 3s8pA-5te4G:
undetectable		 3s8pA-5te4G:
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.
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)
 1.30A 3s8pA-5tuyA:
9.2		 3s8pA-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 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)
 0.39A 3s8pA-5vsdA:
10.7		 3s8pA-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.
5wx4 ALKYLQUINOLONE
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TYR A 340
GLY A 221
PHE A  37
ASN A  32
GLU A 339
 None
 1.32A 3s8pA-5wx4A:
undetectable		 3s8pA-5wx4A:
21.67
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.
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)
 1.12A 3s8pA-5xxgA:
6.4		 3s8pA-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)
 0.52A 3s8pA-6cenA:
8.4		 3s8pA-6cenA:
23.34
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 5 TYR K  65
GLY K  32
ALA K  47
ASN K  87
HIS K  64
 None
 1.49A 3s8pA-6d6qK:
undetectable		 3s8pA-6d6qK:
undetectable