SIMILAR PATTERNS OF AMINO ACIDS FOR 4KTV_A_ADNA403_1

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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LYS B 546
SER B 549
ASP B 864
ASP B 215
ILE B 217
 None
 1.09A 4ktvA-1m2vB:
0.0
4ktvB-1m2vB:
0.0		 4ktvA-1m2vB:
17.30
4ktvB-1m2vB:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LYS A 546
SER A 549
ASP A 864
ASP A 215
ILE A 217
 None
 1.16A 4ktvA-1pd1A:
0.0
4ktvB-1pd1A:
0.0		 4ktvA-1pd1A:
18.97
4ktvB-1pd1A:
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.
1tff UBIQUITIN
THIOLESTERASE
PROTEIN OTUB2

(Homo sapiens) 		PF10275
(Peptidase_C65) 		5 HIS A  22
ASP A  21
ASP A  14
ILE A  15
ILE A  32
 None
 1.50A 4ktvA-1tffA:
0.0
4ktvB-1tffA:
0.0		 4ktvA-1tffA:
19.13
4ktvB-1tffA:
19.13
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 SER A 116
SER A  89
PHE A 114
ASP A 155
ILE A  33
 None
None
DUC  A 300 ( 4.8A)
DUC  A 300 (-3.3A)
DUC  A 300 (-3.4A)
 1.44A 4ktvA-1uaqA:
0.0
4ktvB-1uaqA:
0.0		 4ktvA-1uaqA:
17.63
4ktvB-1uaqA:
17.63
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.
1umr CONVULXIN ALPHA

(Crotalus
durissus) 		PF00059
(Lectin_C) 		5 HIS A  14
LYS A 130
ASP A  12
ASP A  51
ILE A  44
 None
 1.48A 4ktvA-1umrA:
0.0
4ktvB-1umrA:
0.0		 4ktvA-1umrA:
15.21
4ktvB-1umrA:
15.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  14
PRO A  15
ASP A 163
LYS A 165
SER A 186
PHE A 230
 None
 0.33A 4ktvA-1xrcA:
52.1
4ktvB-1xrcA:
54.1		 4ktvA-1xrcA:
54.70
4ktvB-1xrcA:
54.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  14
PRO A  15
LYS A 165
SER A 186
PHE A 230
ASP A 238
 None
 0.65A 4ktvA-1xrcA:
52.1
4ktvB-1xrcA:
54.1		 4ktvA-1xrcA:
54.70
4ktvB-1xrcA:
54.70
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 SER A  88
ASP A  32
ILE A  30
ASP A 120
ILE A 119
 A70  A 500 ( 4.2A)
A70  A 500 ( 2.7A)
A70  A 500 (-4.3A)
None
A70  A 500 (-3.9A)
 1.36A 4ktvA-1zapA:
0.0
4ktvB-1zapA:
undetectable		 4ktvA-1zapA:
24.76
4ktvB-1zapA:
24.76
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.
2auc MYOSIN A TAIL
INTERACTING PROTEIN

(Plasmodium
knowlesi) 		PF13405
(EF-hand_6) 		5 SER A  97
ASP A 117
ASP A 111
ILE A 115
ILE A  93
 None
 1.45A 4ktvA-2aucA:
undetectable
4ktvB-2aucA:
0.0		 4ktvA-2aucA:
15.23
4ktvB-2aucA:
15.23
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.
2lhs CBP21

(Serratia
marcescens) 		PF03067
(LPMO_10) 		5 PRO A 138
SER A  78
SER A   6
PHE A  79
ILE A 164
 None
 1.34A 4ktvA-2lhsA:
0.0
4ktvB-2lhsA:
0.0		 4ktvA-2lhsA:
16.04
4ktvB-2lhsA:
16.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		8 HIS A  29
PRO A  30
ASP A 179
LYS A 181
SER A 206
SER A 247
PHE A 250
ASP A 258
 SAM  A 501 (-3.6A)
SAM  A 501 (-4.2A)
SAM  A 501 (-2.7A)
SAM  A 501 (-3.9A)
SAM  A 501 ( 3.7A)
SAM  A 501 (-2.8A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.6A)
 0.57A 4ktvA-2obvA:
56.4
4ktvB-2obvA:
62.1		 4ktvA-2obvA:
85.68
4ktvB-2obvA:
85.68
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.
2q1z ANTI-SIGMA FACTOR
CHRR,
TRANSCRIPTIONAL
ACTIVATOR CHRR

(Rhodobacter
sphaeroides) 		PF12973
(Cupin_7)
PF13490
(zf-HC2) 		5 HIS B 177
PRO B 179
PHE B 163
ASP B 167
ILE B 170
 ZN  B 197 (-3.5A)
None
None
None
None
 1.45A 4ktvA-2q1zB:
undetectable
4ktvB-2q1zB:
undetectable		 4ktvA-2q1zB:
20.93
4ktvB-2q1zB:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 PRO A 265
ASP A 267
SER A 351
ILE A 247
ILE A 354
 SO4  A 435 (-4.6A)
SO4  A 435 (-3.9A)
None
None
None
 1.21A 4ktvA-3h5qA:
undetectable
4ktvB-3h5qA:
undetectable		 4ktvA-3h5qA:
23.66
4ktvB-3h5qA:
23.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  16
PRO A  17
ASP A 167
LYS A 169
SER A 190
PHE A 234
 None
 0.26A 4ktvA-3imlA:
51.1
4ktvB-3imlA:
52.0		 4ktvA-3imlA:
53.49
4ktvB-3imlA:
53.49
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.
3lic SENSOR PROTEIN

(Shewanella
oneidensis) 		PF02743
(dCache_1) 		5 HIS A  65
SER A 109
ASP A 105
ASP A 200
ILE A 100
 None
None
None
EDO  A   1 (-2.7A)
None
 1.45A 4ktvA-3licA:
undetectable
4ktvB-3licA:
undetectable		 4ktvA-3licA:
22.84
4ktvB-3licA:
22.84
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.
3lp9 LS-24

(Lathyrus
sativus) 		PF00045
(Hemopexin) 		5 SER A  67
PHE A  10
ASP A  87
ASP A  69
ILE A  77
 CL  A 314 (-3.9A)
None
None
NA  A 318 (-3.3A)
None
 1.37A 4ktvA-3lp9A:
undetectable
4ktvB-3lp9A:
undetectable		 4ktvA-3lp9A:
20.40
4ktvB-3lp9A:
20.40
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 ASP A  77
PHE A 172
ASP A 201
ILE A 199
ILE A 195
 MN3  A1001 (-2.2A)
MN3  A1001 ( 4.5A)
None
None
None
 1.23A 4ktvA-3mjoA:
undetectable
4ktvB-3mjoA:
undetectable		 4ktvA-3mjoA:
20.35
4ktvB-3mjoA:
20.35
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.
3obw PROTEIN PELOTA
HOMOLOG

(Sulfolobus
solfataricus) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 ASP A 242
SER A 126
ASP A 237
ILE A 235
ILE A 128
 None
 1.45A 4ktvA-3obwA:
undetectable
4ktvB-3obwA:
undetectable		 4ktvA-3obwA:
23.80
4ktvB-3obwA:
23.80
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.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 PRO A 193
SER A  62
ASP A 115
ILE A 116
ILE A 169
 None
 1.14A 4ktvA-3qmlA:
undetectable
4ktvB-3qmlA:
undetectable		 4ktvA-3qmlA:
22.88
4ktvB-3qmlA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 SER A  62
SER A  86
ASP A 115
ILE A 116
ILE A 169
 None
 0.89A 4ktvA-3qmlA:
undetectable
4ktvB-3qmlA:
undetectable		 4ktvA-3qmlA:
22.88
4ktvB-3qmlA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 HIS A  17
PRO A  18
ASP A 179
LYS A 181
SER A 202
PHE A 251
ASP A 259
 None
None
None
None
None
None
CA  A 404 (-3.4A)
 0.74A 4ktvA-3rv2A:
51.4
4ktvB-3rv2A:
49.9		 4ktvA-3rv2A:
53.55
4ktvB-3rv2A:
53.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  16
PRO A  17
ASP A 166
LYS A 168
SER A 193
ASP A 245
 None
None
None
ACT  A 400 ( 4.9A)
None
None
 0.71A 4ktvA-3so4A:
53.8
4ktvB-3so4A:
55.6		 4ktvA-3so4A:
60.77
4ktvB-3so4A:
60.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 HIS A  16
PRO A  17
ASP A 166
LYS A 168
SER A 193
SER A 234
PHE A 237
 None
None
None
ACT  A 400 ( 4.9A)
None
None
None
 0.48A 4ktvA-3so4A:
53.8
4ktvB-3so4A:
55.6		 4ktvA-3so4A:
60.77
4ktvB-3so4A:
60.77
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.
3v1z ENDONUCLEASE
BSE634IR

(Geobacillus
stearothermophilus) 		PF07832
(Bse634I) 		5 ASP A 284
SER A  87
ASP A 282
ILE A  43
ILE A  83
 None
 1.38A 4ktvA-3v1zA:
undetectable
4ktvB-3v1zA:
undetectable		 4ktvA-3v1zA:
19.85
4ktvB-3v1zA:
19.85
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.
3v30 DNA-BINDING PROTEIN
RFXANK

(Homo sapiens) 		PF12796
(Ank_2)
PF13606
(Ank_3) 		5 SER A 162
SER A 159
ASP A 180
ASP A 182
ILE A 185
 None
 1.45A 4ktvA-3v30A:
undetectable
4ktvB-3v30A:
undetectable		 4ktvA-3v30A:
19.07
4ktvB-3v30A:
19.07
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 LYS B 519
SER B 322
ASP B 484
ILE B 351
ILE B 307
 None
 1.46A 4ktvA-4cakB:
undetectable
4ktvB-4cakB:
undetectable		 4ktvA-4cakB:
20.14
4ktvB-4cakB:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		5 HIS A  29
PRO A  30
ASP A 199
LYS A 201
ASP A 282
 None
 0.91A 4ktvA-4hpvA:
25.4
4ktvB-4hpvA:
27.5		 4ktvA-4hpvA:
24.95
4ktvB-4hpvA:
24.95
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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 PRO A 373
SER A 364
SER A 305
ASP A  52
ILE A 306
 None
IMP  A 501 (-2.8A)
IMP  A 501 (-2.2A)
None
None
 1.45A 4ktvA-4ix2A:
undetectable
4ktvB-4ix2A:
undetectable		 4ktvA-4ix2A:
23.62
4ktvB-4ix2A:
23.62
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		5 HIS A  33
PRO A  34
ASP A 201
LYS A 203
ASP A 283
 None
 1.01A 4ktvA-4l4qA:
26.1
4ktvB-4l4qA:
28.2		 4ktvA-4l4qA:
25.06
4ktvB-4l4qA:
25.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  13
PRO A  14
ASP A 168
LYS A 170
SER A 197
ASP A 250
 None
 0.48A 4ktvA-4le5A:
46.5
4ktvB-4le5A:
49.2		 4ktvA-4le5A:
38.48
4ktvB-4le5A:
38.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		8 HIS A  34
PRO A  35
ASP A 187
LYS A 189
SER A 214
SER A 255
PHE A 258
ASP A 266
 SAM  A 500 ( 3.8A)
SAM  A 500 (-4.3A)
SAM  A 500 (-2.8A)
3PO  A 501 ( 2.7A)
SAM  A 500 ( 4.0A)
SAM  A 500 (-2.7A)
SAM  A 500 (-3.5A)
SAM  A 500 (-3.3A)
 0.68A 4ktvA-4odjA:
53.0
4ktvB-4odjA:
58.8		 4ktvA-4odjA:
56.28
4ktvB-4odjA:
56.28
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 SER A 319
SER A 372
ILE A 325
ASP A 310
ILE A 323
 None
 1.33A 4ktvA-4sliA:
undetectable
4ktvB-4sliA:
undetectable		 4ktvA-4sliA:
23.09
4ktvB-4sliA:
23.09
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		5 HIS A 197
ASP A 104
ASP A 193
ILE A  77
ILE A  72
 None
 1.44A 4ktvA-4wujA:
undetectable
4ktvB-4wujA:
undetectable		 4ktvA-4wujA:
16.39
4ktvB-4wujA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 ASP A 325
SER A 322
ASP A 334
ILE A 295
ILE A 399
 None
 1.40A 4ktvA-4x1zA:
undetectable
4ktvB-4x1zA:
undetectable		 4ktvA-4x1zA:
20.95
4ktvB-4x1zA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 SER A 271
SER A 324
ILE A 277
ASP A 262
ILE A 275
 None
 1.31A 4ktvA-4xhbA:
undetectable
4ktvB-4xhbA:
undetectable		 4ktvA-4xhbA:
20.44
4ktvB-4xhbA:
20.44
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.
4y85 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS A 245
ASP A 309
SER A 274
ILE A 190
ILE A 181
 None
 1.46A 4ktvA-4y85A:
undetectable
4ktvB-4y85A:
undetectable		 4ktvA-4y85A:
23.53
4ktvB-4y85A:
23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		8 HIS A  29
PRO A  30
ASP A 179
LYS A 181
SER A 206
SER A 247
PHE A 250
ASP A 258
 SAM  A 405 ( 3.6A)
SAM  A 405 (-4.0A)
ADN  A 407 (-2.8A)
PPK  A 400 ( 2.6A)
ADN  A 407 ( 3.9A)
ADN  A 407 (-2.7A)
SAM  A 405 (-3.4A)
K  A 403 ( 3.0A)
 0.66A 4ktvA-5a1iA:
55.9
4ktvB-5a1iA:
61.7		 4ktvA-5a1iA:
100.00
4ktvB-5a1iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 5 HIS C  16
PRO C  17
ASP C 175
SER C 198
ASP C 251
 None
 0.74A 4ktvA-5h9uC:
52.8
4ktvB-5h9uC:
54.8		 4ktvA-5h9uC:
51.57
4ktvB-5h9uC:
51.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 6 HIS C  16
PRO C  17
ASP C 175
SER C 198
SER C 240
PHE C 243
 None
 0.54A 4ktvA-5h9uC:
52.8
4ktvB-5h9uC:
54.8		 4ktvA-5h9uC:
51.57
4ktvB-5h9uC:
51.57
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 HIS A 317
ASP A 287
ASP A   8
ILE A   5
ILE A  15
 TRS  A 402 (-4.3A)
None
None
None
None
 1.27A 4ktvA-5hc4A:
undetectable
4ktvB-5hc4A:
undetectable		 4ktvA-5hc4A:
22.09
4ktvB-5hc4A:
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.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 HIS A 137
SER A 188
PHE A 184
ASP A 162
ILE A 159
 GOL  A 654 (-4.3A)
None
None
GOL  A 654 (-2.9A)
None
 1.43A 4ktvA-5jvkA:
undetectable
4ktvB-5jvkA:
undetectable		 4ktvA-5jvkA:
20.97
4ktvB-5jvkA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  15
PRO A  16
ASP A 166
SER A 191
PHE A 235
ASP A 243
 None
 0.78A 4ktvA-5t8tA:
51.8
4ktvB-5t8tA:
55.5		 4ktvA-5t8tA:
56.05
4ktvB-5t8tA:
56.05
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.
5vbn DNA POLYMERASE
EPSILON SUBUNIT 2

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF12213
(Dpoe2NT) 		5 HIS A 440
PRO A 431
LYS A 443
SER A 447
PHE A 242
 None
 1.45A 4ktvA-5vbnA:
undetectable
4ktvB-5vbnA:
undetectable		 4ktvA-5vbnA:
21.97
4ktvB-5vbnA:
21.97
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 HIS A 946
SER A 987
ASP A 960
ILE A 962
ILE A 991
 None
 1.34A 4ktvA-6emkA:
undetectable
4ktvB-6emkA:
undetectable		 4ktvA-6emkA:
10.91
4ktvB-6emkA:
10.91