SIMILAR PATTERNS OF AMINO ACIDS FOR 5KVA_A_SAMA301_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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		5 GLY A 110
TYR A 123
ILE A  68
ALA A 112
ALA A 222
 None
 1.02A 5kvaA-1awbA:
undetectable		 5kvaA-1awbA:
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.
1bsl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		5 MET A  24
THR A  27
TYR A  30
ALA A 102
ALA A  40
 None
 1.20A 5kvaA-1bslA:
undetectable		 5kvaA-1bslA:
23.85
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.
1cfz HYDROGENASE 2
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 THR A  43
GLY A  19
ALA A 141
ASP A  62
ALA A  61
 None
None
None
CD  A 163 ( 2.4A)
None
 1.13A 5kvaA-1cfzA:
undetectable		 5kvaA-1cfzA:
19.63
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.
1h7y TRANSLATIONALLY
CONTROLLED TUMOR
PROTEIN

(Schizosaccharomyces
pombe) 		PF00838
(TCTP) 		6 GLY A  10
TYR A   4
ILE A 132
ASP A   6
ALA A 140
ASP A 137
 None
 1.48A 5kvaA-1h7yA:
undetectable		 5kvaA-1h7yA:
18.69
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.
1h7y TRANSLATIONALLY
CONTROLLED TUMOR
PROTEIN

(Schizosaccharomyces
pombe) 		PF00838
(TCTP) 		6 GLY A  10
TYR A  28
ILE A 132
ASP A   6
ALA A 140
ASP A 137
 None
 1.45A 5kvaA-1h7yA:
undetectable		 5kvaA-1h7yA:
18.69
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		5 GLY A  97
TYR A 179
ALA A  72
ASP A 143
TYR A  66
 None
 1.12A 5kvaA-1j9mA:
undetectable		 5kvaA-1j9mA:
23.47
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 GLY A 462
ILE A 379
ALA A 377
ASP A 430
ALA A 434
 None
 1.23A 5kvaA-1jmzA:
undetectable		 5kvaA-1jmzA:
20.54
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 MET A 256
GLY A 284
TYR A 316
ILE A 433
ALA A 280
 None
 1.00A 5kvaA-1kcxA:
undetectable		 5kvaA-1kcxA:
19.31
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.
1l7b DNA LIGASE

(Thermus
thermophilus) 		PF00533
(BRCT) 		5 THR A  12
GLU A  73
TYR A  47
ALA A  80
ALA A   7
 None
 1.12A 5kvaA-1l7bA:
undetectable		 5kvaA-1l7bA:
19.33
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.
1srd COPPER,ZINC
SUPEROXIDE DISMUTASE

(Spinacia
oleracea) 		PF00080
(Sod_Cu) 		5 THR A 137
GLY A  82
ASP A  83
ALA A  81
ASP A  67
 None
None
ZN  A 156 (-2.7A)
None
None
 1.17A 5kvaA-1srdA:
undetectable		 5kvaA-1srdA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		12 MET A  61
THR A  62
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
ALA A 140
ASP A 163
ALA A 164
ASP A 165
TYR A 172
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.7A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
 0.46A 5kvaA-1susA:
39.3		 5kvaA-1susA:
71.58
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLU A 441
GLY A 440
ILE A 333
ASP A 436
TYR A 450
 None
 1.01A 5kvaA-1tezA:
undetectable		 5kvaA-1tezA:
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 THR A 453
GLU A 524
ILE A 444
ALA A 508
ALA A 526
 None
 1.09A 5kvaA-1ut9A:
undetectable		 5kvaA-1ut9A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vd0 HEAD DECORATION
PROTEIN

(Escherichia
virus Lambda) 		PF02924
(HDPD) 		5 THR A  20
GLY A  59
TYR A  75
ILE A 108
ALA A 100
 None
 1.17A 5kvaA-1vd0A:
undetectable		 5kvaA-1vd0A:
17.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 GLY A 110
ALA A 163
ASP A 185
ALA A 186
ASP A 187
TYR A 194
 SAM  A 501 (-3.4A)
SAM  A 501 (-3.5A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.8A)
None
 0.48A 5kvaA-2avdA:
30.6		 5kvaA-2avdA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 GLY A 110
TYR A 115
ASP A 185
ALA A 186
ASP A 187
TYR A 194
 SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.4A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.8A)
None
 0.61A 5kvaA-2avdA:
30.6		 5kvaA-2avdA:
33.33
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.
2bri URIDYLATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 THR A 221
GLY A 203
ILE A   7
ASP A 206
ALA A 207
 None
 1.16A 5kvaA-2briA:
2.2		 5kvaA-2briA:
21.50
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.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		5 MET A 173
THR A 174
GLY A 230
ALA A  18
ASP A  46
 None
 1.18A 5kvaA-2ekcA:
undetectable		 5kvaA-2ekcA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 256
GLY A 285
ILE A  77
ALA A 291
ALA A 105
 None
NAD  A1300 (-3.2A)
NAD  A1300 (-4.8A)
None
NAD  A1300 ( 3.8A)
 1.02A 5kvaA-2eklA:
4.1		 5kvaA-2eklA:
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.
2fsv NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		5 GLY C  56
TYR C 171
ILE C 163
ALA C  62
ASP C 190
 NAP  C 700 (-3.4A)
NAP  C 700 (-3.9A)
None
None
NAP  C 700 (-3.7A)
 0.97A 5kvaA-2fsvC:
3.5		 5kvaA-2fsvC:
20.74
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		5 GLY A 121
TYR A 134
ILE A  79
ALA A 123
ALA A 233
 None
 1.01A 5kvaA-2fvzA:
undetectable		 5kvaA-2fvzA:
22.67
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 MET A  26
TYR A  67
ILE A 107
ALA A  94
TYR A  91
 None
 1.03A 5kvaA-2gpyA:
21.0		 5kvaA-2gpyA:
26.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		9 MET A  42
GLU A  66
GLY A  68
TYR A  73
ALA A 121
ASP A 154
ALA A 155
ASP A 156
TYR A 163
 SAH  A2001 (-3.9A)
SAH  A2001 ( 4.2A)
SAH  A2001 (-3.3A)
None
SAH  A2001 (-3.3A)
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
SAH  A2001 (-3.1A)
None
 0.44A 5kvaA-2hnkA:
25.6		 5kvaA-2hnkA:
35.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		6 THR A  71
GLU A  66
GLY A  68
ALA A 155
ASP A 156
TYR A 163
 None
SAH  A2001 ( 4.2A)
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
SAH  A2001 (-3.1A)
None
 1.30A 5kvaA-2hnkA:
25.6		 5kvaA-2hnkA:
35.52
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.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		5 THR A  47
GLY A  51
ILE A  82
ALA A  80
ASP A 207
 None
 1.15A 5kvaA-2iw0A:
undetectable		 5kvaA-2iw0A:
18.86
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		5 THR A  55
GLY A 225
ILE A 162
ASP A 227
ALA A 226
 None
NAD  A1510 ( 4.1A)
NAD  A1510 (-4.8A)
None
NAD  A1510 (-3.5A)
 1.14A 5kvaA-2jg7A:
4.9		 5kvaA-2jg7A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oor NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		5 GLY C  56
TYR C 171
ILE C 163
ALA C  62
ASP C 190
 TXP  C 400 (-3.4A)
TXP  C 400 (-3.9A)
None
None
TXP  C 400 (-3.7A)
 0.97A 5kvaA-2oorC:
undetectable		 5kvaA-2oorC:
21.29
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.
2pbi REGULATOR OF
G-PROTEIN SIGNALING
9
GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5

(Mus musculus;
Mus musculus) 		PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma)
PF00400
(WD40) 		5 GLY B 195
TYR A 228
ASP B 218
ALA B 196
ASP B 197
 None
 1.19A 5kvaA-2pbiB:
undetectable		 5kvaA-2pbiB:
23.72
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.
2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE

(Thermoproteus
tenax) 		PF00701
(DHDPS) 		5 GLU A 289
TYR A 283
ILE A 269
ALA A 296
ALA A 254
 None
 1.17A 5kvaA-2r94A:
undetectable		 5kvaA-2r94A:
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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 GLU A 235
TYR A 237
ILE A 315
ALA A 318
ALA A 231
 None
 1.13A 5kvaA-2tohA:
undetectable		 5kvaA-2tohA:
20.51
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.
2vwk DNA POLYMERASE

(Thermococcus
gorgonarius) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLU A 458
GLY A 454
ILE A 413
ALA A 490
ASP A 455
 None
 1.06A 5kvaA-2vwkA:
undetectable		 5kvaA-2vwkA:
15.57
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.
2w1k PUTATIVE SORTASE

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		5 GLY A 112
TYR A 110
ILE A 141
ASP A 114
ALA A 113
 None
 1.14A 5kvaA-2w1kA:
undetectable		 5kvaA-2w1kA:
23.93
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.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		5 GLU A  81
TYR A 213
TYR A 192
ILE A 119
ALA A 244
 None
 1.13A 5kvaA-2w1vA:
undetectable		 5kvaA-2w1vA:
21.78
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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 THR A 112
GLY A 137
TYR A 116
ALA A  59
ALA A 283
 None
 1.22A 5kvaA-2x3eA:
undetectable		 5kvaA-2x3eA:
20.71
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 THR A 103
GLU A 112
GLY A 111
ALA A 119
TYR A 175
 None
 1.16A 5kvaA-2z8zA:
undetectable		 5kvaA-2z8zA:
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 MET A 293
THR A 272
GLY A 287
ALA A 308
ASP A 288
 None
BME  A 381 ( 4.7A)
FAD  A 380 (-3.4A)
None
FAD  A 380 (-3.1A)
 0.97A 5kvaA-3allA:
2.5		 5kvaA-3allA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 GLY A 411
TYR A 368
ALA A 389
ALA A 412
TYR A 424
 None
 1.18A 5kvaA-3auoA:
undetectable		 5kvaA-3auoA:
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A  61
GLU A 160
ALA A 164
ASP A 157
ALA A 158
 LLP  A 186 ( 3.6A)
LLP  A 186 ( 3.4A)
None
LLP  A 186 ( 2.7A)
None
 1.23A 5kvaA-3bn1A:
2.4		 5kvaA-3bn1A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  91
ASP A 141
 SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.58A 5kvaA-3bwmA:
21.3		 5kvaA-3bwmA:
23.94
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.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 MET A  40
GLU A  64
GLY A  66
TYR A  68
ILE A  91
ASP A 141
 SAM  A 301 (-3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.65A 5kvaA-3bwmA:
21.3		 5kvaA-3bwmA:
23.94
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.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 MET A 171
THR A 170
GLY A 120
ILE A  98
ALA A 101
 None
 1.22A 5kvaA-3c24A:
4.0		 5kvaA-3c24A:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		9 MET A  52
GLU A  76
GLY A  78
TYR A  83
ALA A 131
ASP A 154
ALA A 155
ASP A 156
TYR A 163
 SAH  A 464 (-3.9A)
SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
None
SAH  A 464 (-3.5A)
CA  A 238 ( 2.2A)
SAH  A 464 (-3.7A)
SAH  A 464 (-3.4A)
None
 0.49A 5kvaA-3c3yA:
36.6		 5kvaA-3c3yA:
46.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		6 THR A  81
GLU A  76
GLY A  78
ALA A 155
ASP A 156
TYR A 163
 None
SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
SAH  A 464 (-3.7A)
SAH  A 464 (-3.4A)
None
 1.25A 5kvaA-3c3yA:
36.6		 5kvaA-3c3yA:
46.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		9 MET A  42
GLU A  66
GLY A  68
TYR A  73
ALA A 121
ASP A 143
ALA A 144
ASP A 145
TYR A 152
 FER  A 501 (-3.7A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.4A)
MG  A 401 ( 2.7A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.5A)
None
 0.62A 5kvaA-3cbgA:
30.3		 5kvaA-3cbgA:
38.16
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 314
GLY A 307
TYR A 278
TYR A 269
ALA A  10
 None
None
None
None
FAD  A 446 (-3.5A)
 1.09A 5kvaA-3cgdA:
3.4		 5kvaA-3cgdA:
24.49
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		7 GLU A  64
GLY A  66
TYR A  71
ALA A 119
ASP A 140
ALA A 141
TYR A 149
 None
 0.99A 5kvaA-3dulA:
21.9		 5kvaA-3dulA:
28.18
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A 250
ILE A 247
ALA A 189
ALA A 135
TYR A 141
 None
 1.17A 5kvaA-3egeA:
11.9		 5kvaA-3egeA:
22.29
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.
3hzs MONOFUNCTIONAL
GLYCOSYLTRANSFERASE

(Staphylococcus
aureus) 		PF00912
(Transgly) 		5 MET A  67
GLU A 156
TYR A 142
ILE A 172
ALA A 160
 None
 1.18A 5kvaA-3hzsA:
undetectable		 5kvaA-3hzsA:
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.
3km5 LYSINE SPECIFIC
CYSTEINE PROTEASE

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		5 ALA A1260
ASP A1179
ALA A1180
ASP A1220
TYR A1222
 None
CA  A2011 (-3.2A)
None
None
None
 1.10A 5kvaA-3km5A:
undetectable		 5kvaA-3km5A:
22.34
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.
3lhx KETODEOXYGLUCONOKINA
SE

(Shigella
flexneri) 		PF00294
(PfkB) 		5 GLY A 159
TYR A 175
TYR A 162
ILE A 213
ALA A 181
 None
 1.16A 5kvaA-3lhxA:
3.6		 5kvaA-3lhxA:
19.88
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.
3m1h LYSINE SPECIFIC
CYSTEINE PROTEASE

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		5 ALA A1532
ASP A1446
ALA A1447
ASP A1489
TYR A1491
 None
CA  A2001 (-3.0A)
None
None
None
 1.12A 5kvaA-3m1hA:
undetectable		 5kvaA-3m1hA:
19.87
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 377
GLY A 376
ILE A 288
ASP A 373
ALA A 375
 CA  A 511 (-2.7A)
None
None
None
None
 1.23A 5kvaA-3nqxA:
undetectable		 5kvaA-3nqxA:
19.57
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.
3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Homo sapiens) 		PF04072
(LCM) 		5 GLY A  98
TYR A 203
ASP A 122
ALA A  99
ASP A 102
 SAM  A 801 (-3.5A)
SAM  A 801 (-4.6A)
SAM  A 801 (-2.7A)
None
None
 1.19A 5kvaA-3o7wA:
9.3		 5kvaA-3o7wA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnk PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 THR A 522
GLU A 173
GLY A 152
TYR A 150
ILE A 154
 None
 1.05A 5kvaA-3qnkA:
undetectable		 5kvaA-3qnkA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		6 GLU A  66
TYR A  73
ALA A 121
ALA A 144
ASP A 145
TYR A 152
 None
 0.92A 5kvaA-3r3hA:
27.6		 5kvaA-3r3hA:
31.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		7 GLY A  68
TYR A  73
ALA A 121
ASP A 143
ALA A 144
ASP A 145
TYR A 152
 None
 0.94A 5kvaA-3r3hA:
27.6		 5kvaA-3r3hA:
31.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		5 MET A  42
GLU A  66
TYR A  73
ASP A 145
TYR A 152
 None
 0.93A 5kvaA-3r3hA:
27.6		 5kvaA-3r3hA:
31.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		6 MET A  42
GLY A  68
TYR A  73
ASP A 143
ASP A 145
TYR A 152
 None
 0.87A 5kvaA-3r3hA:
27.6		 5kvaA-3r3hA:
31.77
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 MET A 275
TYR A 138
ILE A 129
ALA A  61
TYR A 290
 None
 1.12A 5kvaA-3rstA:
undetectable		 5kvaA-3rstA:
23.24
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.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		8 GLU A  67
GLY A  69
TYR A  74
ALA A 122
ASP A 141
ALA A 142
ASP A 143
TYR A 150
 None
 0.70A 5kvaA-3tfwA:
22.8		 5kvaA-3tfwA:
28.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		8 MET A  43
GLY A  69
TYR A  74
ALA A 122
ASP A 144
ALA A 145
ASP A 146
TYR A 153
 SAH  A 224 (-3.7A)
SAH  A 224 (-3.9A)
None
SAH  A 224 (-3.8A)
NI  A 223 ( 2.5A)
SAH  A 224 (-3.5A)
SAH  A 224 (-3.5A)
None
 0.63A 5kvaA-3tr6A:
31.3		 5kvaA-3tr6A:
33.82
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.
3umb DEHALOGENASE-LIKE
HYDROLASE

(Ralstonia
solanacearum) 		PF00702
(Hydrolase) 		5 GLU A 206
GLY A 182
ILE A 198
ALA A 215
ALA A 185
 None
 1.00A 5kvaA-3umbA:
undetectable		 5kvaA-3umbA:
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		5 THR A 223
GLY A 170
ILE A 164
ASP A 169
ALA A 168
 None
 1.20A 5kvaA-3zidA:
4.2		 5kvaA-3zidA:
21.65
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.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 MET A  13
GLU A 309
ILE A 300
ALA A 302
ALA A  52
 None
 1.23A 5kvaA-4astA:
2.9		 5kvaA-4astA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLU A 332
GLY A 472
TYR A 457
ASP A 471
TYR A 318
 None
 1.18A 5kvaA-4eqvA:
undetectable		 5kvaA-4eqvA:
18.45
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.
4f3v ESX-1 SECRETION
SYSTEM PROTEIN ECCA1

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  90
ILE A 208
ALA A 170
ASP A  91
ALA A 203
 None
 1.01A 5kvaA-4f3vA:
undetectable		 5kvaA-4f3vA:
18.51
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.
4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus;
Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 THR A  96
GLY A 291
TYR A  94
ILE A 252
ALA A 289
 None
 1.16A 5kvaA-4grsA:
undetectable		 5kvaA-4grsA:
21.41
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 MET A 246
GLY A 274
TYR A 306
ILE A 423
ALA A 270
 None
 1.03A 5kvaA-4gz7A:
undetectable		 5kvaA-4gz7A:
19.25
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.
4itc LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		5 ALA A1085
ASP A1001
ALA A1002
ASP A1042
TYR A1044
 None
CA  A1201 (-3.1A)
None
None
None
 1.15A 5kvaA-4itcA:
undetectable		 5kvaA-4itcA:
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.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY E 647
TYR E 600
ILE E 448
ALA E 476
ASP E 644
 None
 1.21A 5kvaA-4iw4E:
undetectable		 5kvaA-4iw4E:
17.75
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.
4kp3 RILP-LIKE PROTEIN 2

(Mus musculus) 		no annotation 5 GLU C  16
GLY C  17
ASP C  15
ALA C  18
ASP C  30
 None
 1.22A 5kvaA-4kp3C:
undetectable		 5kvaA-4kp3C:
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 GLY A  27
TYR A  52
ALA A 237
ASP A  30
ALA A  31
 None
None
None
CA  A 400 (-2.3A)
None
 1.07A 5kvaA-4kpnA:
4.0		 5kvaA-4kpnA:
23.78
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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 MET A 275
TYR A 138
ILE A 129
ALA A  61
TYR A 290
 None
 1.14A 5kvaA-4kwbA:
undetectable		 5kvaA-4kwbA:
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 GLU A  78
GLY A  80
TYR A  85
ILE A 105
ALA A 150
 SAH  A 500 (-4.3A)
SAH  A 500 (-3.1A)
None
SAH  A 500 (-3.7A)
SAH  A 500 ( 4.5A)
 1.08A 5kvaA-4o29A:
12.0		 5kvaA-4o29A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 MET A 330
THR A 328
GLY A 252
ALA A 256
ASP A 259
 None
 1.23A 5kvaA-4o5mA:
undetectable		 5kvaA-4o5mA:
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.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLU A 107
GLY A 109
TYR A 114
ILE A 134
ASP A 184
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.7A)
None
 0.64A 5kvaA-4p58A:
20.6		 5kvaA-4p58A:
25.77
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		6 GLU A  62
GLY A  64
ALA A 117
ASP A 136
ALA A 137
TYR A 145
 SAM  A 301 ( 4.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
MN  A 303 ( 2.7A)
SAM  A 301 ( 3.9A)
None
 0.39A 5kvaA-4pclA:
27.3		 5kvaA-4pclA:
27.82
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.
4pcz FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Lactococcus
lactis) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 MET A  32
THR A 113
ASP A 107
ALA A 106
ASP A  92
 None
GOL  A 302 (-2.7A)
None
None
None
 1.22A 5kvaA-4pczA:
undetectable		 5kvaA-4pczA:
22.61
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		5 GLU A 500
GLY A 501
ILE A 436
ALA A 478
ALA A 502
 None
 1.01A 5kvaA-4r10A:
undetectable		 5kvaA-4r10A:
20.71
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A 293
GLU A  75
GLY A 252
ILE A 352
ALA A 250
 None
 1.21A 5kvaA-4rm7A:
undetectable		 5kvaA-4rm7A:
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		8 GLU A  71
GLY A  73
TYR A  75
TYR A  78
ALA A 127
ASP A 144
ALA A 145
TYR A 153
 SAM  A1001 ( 4.4A)
SAM  A1001 (-3.3A)
SAM  A1001 (-4.8A)
None
SAM  A1001 (-3.4A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
None
 0.71A 5kvaA-4ymgA:
26.7		 5kvaA-4ymgA:
29.15
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.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 5 THR A 144
GLY A 151
TYR A 145
ILE A 112
ALA A 157
 None
 1.08A 5kvaA-5b01A:
undetectable		 5kvaA-5b01A:
24.92
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D

(Sulfolobus
solfataricus;
Streptomyces
viridosporus) 		no annotation 5 THR A 144
GLY A 151
TYR A 145
ILE A 112
ALA A 157
 None
 1.13A 5kvaA-5b0lA:
undetectable		 5kvaA-5b0lA:
24.65
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.
5cfv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MALTOSE-BIND
ING PERIPLASMIC
PROTEIN,PILA FUSION
PROTEIN

(Escherichia
coli;
Acinetobacter
nosocomialis) 		PF00114
(Pilin)
PF01547
(SBP_bac_1) 		5 GLY A1042
ILE A1079
ALA A1077
ASP A1041
ALA A1040
 None
 1.21A 5kvaA-5cfvA:
undetectable		 5kvaA-5cfvA:
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		6 THR A 270
GLU A 218
GLY A 214
TYR A 216
ILE A 149
ASP A  95
 None
None
None
GGL  A 601 (-4.0A)
None
None
 1.41A 5kvaA-5cniA:
3.3		 5kvaA-5cniA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cx7 ATP:COB(I)ALAMIN
ADENOSYLTRANSFERASE

(Salmonella
enterica) 		PF03928
(Haem_degrading) 		5 THR A  75
GLY A 118
ILE A 115
ALA A  11
ALA A  42
 None
 1.15A 5kvaA-5cx7A:
undetectable		 5kvaA-5cx7A:
18.87
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN
HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 THR L  71
GLY L  92
ALA H 101
ALA L  36
TYR L  38
 None
 1.20A 5kvaA-5i8oL:
undetectable		 5kvaA-5i8oL:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		12 MET A  75
THR A  76
GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
ALA A 154
ASP A 177
ALA A 178
ASP A 179
TYR A 186
 SAM  A 301 (-3.8A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 0.00A 5kvaA-5kvaA:
43.6		 5kvaA-5kvaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 THR A 104
GLU A  99
GLY A 101
ALA A 178
ASP A 179
TYR A 186
 None
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 1.40A 5kvaA-5kvaA:
43.6		 5kvaA-5kvaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		9 MET A  41
GLU A  65
GLY A  67
TYR A  72
ALA A 120
ASP A 142
ALA A 143
ASP A 144
TYR A 151
 SAH  A1001 ( 3.8A)
SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
None
SAH  A1001 (-3.4A)
MG  A1002 (-2.5A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.8A)
None
 0.56A 5kvaA-5logA:
31.5		 5kvaA-5logA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		6 THR A  70
GLU A  65
GLY A  67
ALA A 143
ASP A 144
TYR A 151
 None
SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.8A)
None
 1.32A 5kvaA-5logA:
31.5		 5kvaA-5logA:
36.33
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		7 GLU A  63
GLY A  65
TYR A  70
ALA A 118
ASP A 139
ALA A 140
TYR A 148
 SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
None
SAM  A 306 (-3.5A)
SAM  A 306 (-2.3A)
SAM  A 306 (-3.6A)
None
 0.52A 5kvaA-5n5dA:
23.6		 5kvaA-5n5dA:
27.82
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.
5ndl CRH-LIKE PROTEIN

(Aspergillus
fumigatus) 		no annotation 5 GLY A 105
ILE A 219
ALA A 208
ASP A 211
TYR A 228
 None
None
None
NAG  A 302 ( 4.7A)
None
 1.12A 5kvaA-5ndlA:
undetectable		 5kvaA-5ndlA:
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		5 THR A  48
GLU A  33
GLY A  32
ALA A  37
ALA A 280
 None
 1.23A 5kvaA-5nyyA:
undetectable		 5kvaA-5nyyA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY B 711
TYR B 673
ALA B 783
ALA B 710
TYR B 785
 None
 1.18A 5kvaA-5vniB:
undetectable		 5kvaA-5vniB:
15.83
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.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		5 GLU A 201
ALA A 124
ASP A 202
ALA A 203
TYR A 207
 None
 1.21A 5kvaA-5w15A:
undetectable		 5kvaA-5w15A:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		7 GLU A  64
GLY A  66
ILE A  91
ALA A 120
ASP A 138
ALA A 139
TYR A 147
 SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.5A)
None
 0.50A 5kvaA-5x7fA:
24.9		 5kvaA-5x7fA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		6 GLU A  64
GLY A  66
ILE A  91
ASP A 138
ALA A 139
ASP A 140
 SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 3.8A)
 1.18A 5kvaA-5x7fA:
24.9		 5kvaA-5x7fA:
30.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 MET A1657
THR A1658
ALA A1687
ASP A1729
TYR A1617
 None
 1.14A 5kvaA-5y29A:
2.3		 5kvaA-5y29A:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLU A  60
GLY A  62
TYR A  67
ALA A 114
ASP A 133
ALA A 134
 SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
None
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
 0.65A 5kvaA-5zw4A:
25.9		 5kvaA-5zw4A:
25.17