SIMILAR PATTERNS OF AMINO ACIDS FOR 5KVA_B_SAMB301_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
 1.03A 5kvaB-1awbA:
undetectable		 5kvaB-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
 1.21A 5kvaB-1bslA:
undetectable		 5kvaB-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
 1.15A 5kvaB-1cfzA:
undetectable		 5kvaB-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
 1.44A 5kvaB-1h7yA:
undetectable		 5kvaB-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 5kvaB-1h7yA:
undetectable		 5kvaB-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.
1izc MACROPHOMATE
SYNTHASE
INTERMOLECULAR
DIELS-ALDERASE

(Macrophoma
commelinae) 		PF03328
(HpcH_HpaI) 		5 THR A  23
GLY A  26
TYR A  24
ALA A  31
ALA A 119
 None
 1.20A 5kvaB-1izcA:
undetectable		 5kvaB-1izcA:
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.
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
 1.11A 5kvaB-1j9mA:
undetectable		 5kvaB-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
 1.20A 5kvaB-1jmzA:
undetectable		 5kvaB-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 5kvaB-1kcxA:
undetectable		 5kvaB-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
 1.13A 5kvaB-1l7bA:
undetectable		 5kvaB-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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 GLY A 230
ILE A 346
ASP A 229
ALA A 228
TYR A 784
 None
 1.14A 5kvaB-1nl3A:
undetectable		 5kvaB-1nl3A:
15.25
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 TYR A 328
ILE B 199
ALA B 116
ASP B 193
ALA B 194
 None
None
None
MN  B 302 ( 3.9A)
None
 1.15A 5kvaB-1qleA:
undetectable		 5kvaB-1qleA:
18.11
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
 0.49A 5kvaB-1susA:
38.9		 5kvaB-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
 1.02A 5kvaB-1tezA:
undetectable		 5kvaB-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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 346
TYR A 120
ILE A 317
ALA A 278
ALA A 307
 None
 1.12A 5kvaB-1tkkA:
2.1		 5kvaB-1tkkA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5kvaB-1ut9A:
undetectable		 5kvaB-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 5kvaB-1vd0A:
undetectable		 5kvaB-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) 		7 GLY A 110
TYR A 115
ALA A 163
ASP A 185
ALA A 186
ASP A 187
TYR A 194
 SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.5A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.8A)
None
 0.69A 5kvaB-2avdA:
30.6		 5kvaB-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
 1.17A 5kvaB-2briA:
4.0		 5kvaB-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.
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)
 1.00A 5kvaB-2eklA:
4.1		 5kvaB-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)
 0.95A 5kvaB-2fsvC:
3.3		 5kvaB-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
 1.02A 5kvaB-2fvzA:
undetectable		 5kvaB-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
 1.06A 5kvaB-2gpyA:
20.9		 5kvaB-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
 0.52A 5kvaB-2hnkA:
29.8		 5kvaB-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
 1.31A 5kvaB-2hnkA:
29.8		 5kvaB-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
 1.16A 5kvaB-2iw0A:
undetectable		 5kvaB-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)
 1.15A 5kvaB-2jg7A:
4.9		 5kvaB-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.
2nra PI PROTEIN

(Escherichia
coli) 		PF01051
(Rep_3) 		5 GLY C  81
TYR C  74
ILE C 121
ALA C  86
ALA C  32
 None
 1.10A 5kvaB-2nraC:
undetectable		 5kvaB-2nraC:
24.58
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.
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)
 0.95A 5kvaB-2oorC:
undetectable		 5kvaB-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.
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
 1.16A 5kvaB-2r94A:
undetectable		 5kvaB-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
 1.14A 5kvaB-2tohA:
undetectable		 5kvaB-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.
2v9t SLIT HOMOLOG 2
PROTEIN N-PRODUCT

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 MET B 425
THR B 424
GLY B 454
ILE B 468
ALA B 428
 None
 1.19A 5kvaB-2v9tB:
undetectable		 5kvaB-2v9tB:
23.00
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.
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
 1.07A 5kvaB-2vwkA:
undetectable		 5kvaB-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
 1.16A 5kvaB-2w1kA:
undetectable		 5kvaB-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.
2w1q HYALURONOGLUCOSAMINI
DASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 THR A 917
GLY A 863
ILE A 924
ALA A 942
ASP A 862
 None
 1.18A 5kvaB-2w1qA:
undetectable		 5kvaB-2w1qA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 5kvaB-2w1vA:
undetectable		 5kvaB-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
 1.21A 5kvaB-2x3eA:
undetectable		 5kvaB-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
 1.18A 5kvaB-2z8zA:
undetectable		 5kvaB-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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY A 488
ALA A 447
ALA A 524
ASP A 522
TYR A 421
 None
 1.21A 5kvaB-3afbA:
3.7		 5kvaB-3afbA:
22.74
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY A 489
ALA A 447
ALA A 524
ASP A 522
TYR A 421
 GOL  A   2 ( 3.7A)
None
None
None
None
 1.20A 5kvaB-3afbA:
3.7		 5kvaB-3afbA:
22.74
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.
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 5kvaB-3allA:
2.6		 5kvaB-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
 1.17A 5kvaB-3auoA:
undetectable		 5kvaB-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.
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)
 0.56A 5kvaB-3bwmA:
21.3		 5kvaB-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)
 0.67A 5kvaB-3bwmA:
21.3		 5kvaB-3bwmA:
23.94
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
 0.58A 5kvaB-3c3yA:
34.7		 5kvaB-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
 1.27A 5kvaB-3c3yA:
34.7		 5kvaB-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
 0.67A 5kvaB-3cbgA:
30.1		 5kvaB-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)
 1.10A 5kvaB-3cgdA:
3.2		 5kvaB-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) 		6 GLU A  64
GLY A  66
ALA A 119
ASP A 140
ALA A 141
TYR A 149
 None
 0.84A 5kvaB-3dulA:
21.9		 5kvaB-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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		6 GLU A  64
GLY A  66
TYR A  71
ALA A 119
ASP A 140
ALA A 141
 None
 0.89A 5kvaB-3dulA:
21.9		 5kvaB-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
 1.13A 5kvaB-3egeA:
11.9		 5kvaB-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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A  31
GLY A  14
ILE A 321
ALA A 314
ALA A 119
 None
 1.10A 5kvaB-3iwaA:
3.7		 5kvaB-3iwaA:
20.72
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.
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
 1.16A 5kvaB-3km5A:
undetectable		 5kvaB-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
 1.14A 5kvaB-3lhxA:
3.5		 5kvaB-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
 1.19A 5kvaB-3m1hA:
undetectable		 5kvaB-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.
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
 1.21A 5kvaB-3o7wA:
9.5		 5kvaB-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 5kvaB-3qnkA:
undetectable		 5kvaB-3qnkA:
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 5 GLU C 100
GLY C  80
ILE C  83
ALA C  85
ALA C 108
 SAH  C   1 (-3.0A)
SAH  C   1 ( 3.7A)
SAH  C   1 (-4.7A)
None
None
 1.18A 5kvaB-3r0qC:
8.3		 5kvaB-3r0qC:
18.18
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 GLU A  66
TYR A  73
ALA A 121
ASP A 145
TYR A 152
 None
 0.80A 5kvaB-3r3hA:
27.5		 5kvaB-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 GLY A  68
TYR A  73
ALA A 121
ASP A 143
ASP A 145
TYR A 152
 None
 0.81A 5kvaB-3r3hA:
27.5		 5kvaB-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
GLU A  66
TYR A  73
ALA A 144
ASP A 145
TYR A 152
 None
 1.00A 5kvaB-3r3hA:
27.5		 5kvaB-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 MET A  42
GLY A  68
TYR A  73
ASP A 143
ALA A 144
ASP A 145
TYR A 152
 None
 0.97A 5kvaB-3r3hA:
27.5		 5kvaB-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
 1.16A 5kvaB-3rstA:
undetectable		 5kvaB-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
 0.75A 5kvaB-3tfwA:
22.8		 5kvaB-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
 0.67A 5kvaB-3tr6A:
31.2		 5kvaB-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.
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
 1.22A 5kvaB-3zidA:
2.0		 5kvaB-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
 1.19A 5kvaB-4astA:
undetectable		 5kvaB-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
 1.19A 5kvaB-4eqvA:
undetectable		 5kvaB-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
 1.00A 5kvaB-4f3vA:
undetectable		 5kvaB-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.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		5 GLY A 207
ILE A 227
ALA A 197
ASP A 206
ALA A 205
 None
 1.22A 5kvaB-4fhaA:
undetectable		 5kvaB-4fhaA:
21.88
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.
4ge0 UNCHARACTERIZED
PROTEIN C22E12.03C

(Schizosaccharomyces
pombe) 		PF01965
(DJ-1_PfpI) 		5 MET A  52
GLY A  11
ALA A  83
ASP A  10
ALA A   9
 None
 1.16A 5kvaB-4ge0A:
2.4		 5kvaB-4ge0A:
21.86
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.
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
 1.18A 5kvaB-4grsA:
undetectable		 5kvaB-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 5kvaB-4gz7A:
undetectable		 5kvaB-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.
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 5kvaB-4iw4E:
undetectable		 5kvaB-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.
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 5kvaB-4kpnA:
4.0		 5kvaB-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
 1.18A 5kvaB-4kwbA:
undetectable		 5kvaB-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.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 THR A 218
GLY A 176
ILE A 155
ALA A 158
ALA A 179
 None
 1.12A 5kvaB-4n6bA:
undetectable		 5kvaB-4n6bA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.02A 5kvaB-4o29A:
11.8		 5kvaB-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
 1.19A 5kvaB-4o5mA:
undetectable		 5kvaB-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
 0.61A 5kvaB-4p58A:
20.6		 5kvaB-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
 0.47A 5kvaB-4pclA:
27.2		 5kvaB-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.
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
 1.04A 5kvaB-4r10A:
undetectable		 5kvaB-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 5kvaB-4rm7A:
undetectable		 5kvaB-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
 0.74A 5kvaB-4ymgA:
26.5		 5kvaB-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
 1.04A 5kvaB-5b01A:
undetectable		 5kvaB-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
 1.09A 5kvaB-5b0lA:
undetectable		 5kvaB-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.
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
 1.18A 5kvaB-5cx7A:
undetectable		 5kvaB-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
 1.18A 5kvaB-5i8oL:
undetectable		 5kvaB-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
 0.11A 5kvaB-5kvaA:
42.0		 5kvaB-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
 1.38A 5kvaB-5kvaA:
42.0		 5kvaB-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
 0.64A 5kvaB-5logA:
31.4		 5kvaB-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
 1.33A 5kvaB-5logA:
31.4		 5kvaB-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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 5 GLY A 484
ILE A 524
ALA A 494
ASP A 481
ALA A 434
 None
 1.21A 5kvaB-5m6gA:
undetectable		 5kvaB-5m6gA:
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.
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
 0.58A 5kvaB-5n5dA:
23.5		 5kvaB-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 5kvaB-5ndlA:
undetectable		 5kvaB-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
 1.18A 5kvaB-5nyyA:
undetectable		 5kvaB-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
 1.19A 5kvaB-5vniB:
undetectable		 5kvaB-5vniB:
15.83
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
 0.54A 5kvaB-5x7fA:
23.1		 5kvaB-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)
 1.23A 5kvaB-5x7fA:
23.1		 5kvaB-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.
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 5kvaB-5zw4A:
25.8		 5kvaB-5zw4A:
25.17