SIMILAR PATTERNS OF AMINO ACIDS FOR 2VH3_A_DAHA2_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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ALA A 151
ALA A 153
SER A 190
SER A 224
ALA A 223
 None
 1.25A 2vh3A-1bh6A:
undetectable		 2vh3A-1bh6A:
14.62
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.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ALA A 151
ALA A 153
SER A 190
SER A 224
ALA A 223
 None
 1.26A 2vh3A-1c3lA:
undetectable		 2vh3A-1c3lA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c6s CYTOCHROME C6

(Synechococcus
elongatus) 		PF13442
(Cytochrome_CBB3) 		5 ALA A   7
GLY A  21
SER A  11
ALA A  15
CYH A  14
 None
None
None
None
HEC  A  88 (-1.8A)
 1.46A 2vh3A-1c6sA:
undetectable		 2vh3A-1c6sA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cwu ENOYL ACP REDUCTASE

(Brassica napus) 		PF13561
(adh_short_C2) 		5 ALA A 207
ALA A 205
GLY A 199
SER A 191
ALA A 190
 None
 1.28A 2vh3A-1cwuA:
undetectable		 2vh3A-1cwuA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 ALA A 160
ALA A 162
SER A 195
SER A 229
ALA A 228
 None
 1.27A 2vh3A-1dbiA:
undetectable		 2vh3A-1dbiA:
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 246
ALA A 320
GLY A 289
SER A 247
ALA A 318
 ACO  A 813 ( 4.1A)
None
None
ACO  A 813 (-3.7A)
ACO  A 813 (-3.0A)
 1.45A 2vh3A-1dm3A:
0.0		 2vh3A-1dm3A:
14.29
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.
1f1f CYTOCHROME C6

(Arthrospira
maxima) 		PF13442
(Cytochrome_CBB3) 		5 ALA A   7
GLY A  20
SER A  11
ALA A  15
CYH A  14
 None
None
None
None
HEM  A 200 (-1.8A)
 1.49A 2vh3A-1f1fA:
undetectable		 2vh3A-1f1fA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f1f CYTOCHROME C6

(Arthrospira
maxima) 		PF13442
(Cytochrome_CBB3) 		5 ALA A   7
GLY A  21
SER A  11
ALA A  15
CYH A  14
 None
None
None
None
HEM  A 200 (-1.8A)
 1.26A 2vh3A-1f1fA:
undetectable		 2vh3A-1f1fA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		5 ALA A 151
ALA A 153
SER A 190
SER A 224
ALA A 223
 None
 1.30A 2vh3A-1gnsA:
undetectable		 2vh3A-1gnsA:
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.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 256
SER A 213
GLY A 210
ALA A 242
CYH A 320
 None
 1.42A 2vh3A-1hrdA:
undetectable		 2vh3A-1hrdA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 391
ALA A 388
SER A 385
GLY A 382
CYH A 217
 None
 1.40A 2vh3A-1ot5A:
0.0		 2vh3A-1ot5A:
15.65
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 ALA A  55
ALA A  41
PHE A  62
GLY A 265
SER A  58
 None
 1.24A 2vh3A-1u60A:
0.0		 2vh3A-1u60A:
16.94
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 ALA B 206
PHE A  24
GLY A  23
SER A  50
ALA A  49
 None
None
None
EDO  B  17 (-3.3A)
None
 1.14A 2vh3A-1vraB:
undetectable		 2vh3A-1vraB:
20.47
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.
1w9z VP9

(Banna virus) 		PF08978
(Reoviridae_Vp9) 		5 ALA A 181
SER A 183
PHE A 166
GLY A 228
SER A 169
 None
 1.09A 2vh3A-1w9zA:
undetectable		 2vh3A-1w9zA:
17.88
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.
1wod MODA

(Escherichia
coli) 		PF13531
(SBP_bac_11) 		5 ALA A  58
ALA A   9
SER A  35
SER A  12
ALA A  11
 WO4  A 234 (-3.6A)
None
None
WO4  A 234 ( 2.7A)
WO4  A 234 (-3.7A)
 1.46A 2vh3A-1wodA:
0.0		 2vh3A-1wodA:
16.53
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ALA A 272
SER A 261
GLY A 268
SER A 297
ALA A 294
 None
NAD  A 600 (-3.7A)
None
None
None
 1.38A 2vh3A-1x87A:
0.0		 2vh3A-1x87A:
11.53
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A  97
ALA A 109
SER A 255
PHE A  24
GLY A 164
 None
 1.38A 2vh3A-1xfjA:
undetectable		 2vh3A-1xfjA:
18.85
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.
1yaa ASPARTATE
AMINOTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 ALA A 307
PHE A 256
GLY A 268
SER A  81
ALA A  83
 None
 1.35A 2vh3A-1yaaA:
0.0		 2vh3A-1yaaA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bbv PROTEIN (BLACK
BEETLE VIRUS CAPSID
PROTEIN)

(Black beetle
virus) 		PF01829
(Peptidase_A6) 		5 ALA A 169
PHE A 145
GLY A 120
SER A 170
ALA A 317
 None
 1.33A 2vh3A-2bbvA:
undetectable		 2vh3A-2bbvA:
15.31
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.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 ALA A  95
ALA A  98
SER A 102
PHE A 103
ALA A 304
 None
 1.22A 2vh3A-2himA:
undetectable		 2vh3A-2himA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k3o TUSP1

(Nephila
antipodiana) 		PF12042
(RP1-2) 		5 ALA A  78
ALA A  80
GLY A  86
SER A  12
ALA A   8
 None
 1.46A 2vh3A-2k3oA:
0.2		 2vh3A-2k3oA:
22.14
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.
2o0y TRANSCRIPTIONAL
REGULATOR

(Rhodococcus sp.) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 ALA A 153
SER A 206
PHE A 232
GLY A 227
SER A 209
 None
 1.40A 2vh3A-2o0yA:
undetectable		 2vh3A-2o0yA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 ALA A 231
ALA A 308
SER A 306
GLY A 303
ALA A 233
 None
 1.36A 2vh3A-2o6xA:
undetectable		 2vh3A-2o6xA:
17.45
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.
2ocd L-ASPARAGINASE I

(Vibrio cholerae) 		PF00710
(Asparaginase) 		5 ALA A  95
ALA A  98
SER A 102
PHE A 103
ALA A 305
 None
 1.20A 2vh3A-2ocdA:
undetectable		 2vh3A-2ocdA:
15.56
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.
2qwu INTRACELLULAR GROWTH
LOCUS, SUBUNIT C

(Francisella
tularensis) 		PF11550
(IglC) 		5 ALA A  67
ALA A  54
SER A  72
GLY A  92
ALA A  70
 None
 1.43A 2vh3A-2qwuA:
undetectable		 2vh3A-2qwuA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 527
SER A 347
GLY A 502
ALA A 507
CYH A 499
 None
 1.47A 2vh3A-2y8nA:
undetectable		 2vh3A-2y8nA:
8.96
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.
3d01 UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF14588
(YjgF_endoribonc) 		5 ALA A 153
ALA A 110
PHE A 115
GLY A  65
ALA A  73
 None
 1.33A 2vh3A-3d01A:
undetectable		 2vh3A-3d01A:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		5 ALA A  88
ALA A 105
GLY A  46
SER A  82
ALA A  81
 None
 1.30A 2vh3A-3eb2A:
undetectable		 2vh3A-3eb2A:
17.33
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.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		5 ALA A 271
ALA A 269
GLY A 263
SER A 255
ALA A 254
 None
 1.37A 2vh3A-3f4bA:
undetectable		 2vh3A-3f4bA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 PHE A  36
GLY A  35
LYS A 136
SER A  78
ALA A  77
 None
 1.26A 2vh3A-3fkjA:
undetectable		 2vh3A-3fkjA:
17.91
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.
3hol TBPB

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ALA A 230
ALA A 232
SER A 247
SER A 250
ALA A 271
 None
 1.43A 2vh3A-3holA:
undetectable		 2vh3A-3holA:
11.41
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.
3kke LACI FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13377
(Peripla_BP_3) 		5 ALA A 258
ALA A 255
GLY A 185
SER A 226
ALA A 224
 None
 1.35A 2vh3A-3kkeA:
undetectable		 2vh3A-3kkeA:
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 ALA A  84
ALA A  77
GLY A 107
SER A  69
ALA A  68
 None
 1.33A 2vh3A-3n2cA:
undetectable		 2vh3A-3n2cA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nt8 ANCYLOSTOMA SECRETED
PROTEIN 1

(Necator
americanus) 		PF00188
(CAP) 		5 ALA A 130
SER A 128
GLY A 125
SER A 150
ALA A 148
 None
 1.49A 2vh3A-3nt8A:
undetectable		 2vh3A-3nt8A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 ALA A  95
ALA A  98
SER A 102
PHE A 103
ALA A 304
 None
 1.23A 2vh3A-3ntxA:
undetectable		 2vh3A-3ntxA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  69
SER A  67
GLY A  78
SER A  89
ALA A  90
 None
 1.47A 2vh3A-3s6lA:
undetectable		 2vh3A-3s6lA:
22.31
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.
3snx PUTATIVE SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 287
PHE A  91
GLY A  90
ALA A  71
CYH A  74
 None
 1.29A 2vh3A-3snxA:
1.2		 2vh3A-3snxA:
15.62
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  49
ALA A  53
GLY A 167
SER A  47
ALA A  46
 None
 1.43A 2vh3A-3t6sA:
undetectable		 2vh3A-3t6sA:
15.13
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 ALA A 171
SER A 154
GLY A 152
SER A 178
ALA A 149
 VPF  A 201 (-4.9A)
VPF  A 201 (-1.7A)
VPF  A 201 (-3.3A)
VPF  A 201 ( 4.7A)
VPF  A 201 (-3.4A)
 1.46A 2vh3A-3ufaA:
undetectable		 2vh3A-3ufaA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A 282
SER A 224
GLY A 226
SER A 257
ALA A 254
 None
ATP  A 401 (-2.8A)
ATP  A 401 (-3.2A)
None
ATP  A 401 (-3.2A)
 1.46A 2vh3A-3uqeA:
undetectable		 2vh3A-3uqeA:
17.67
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.
3wp8 TRIMERIC
AUTOTRANSPORTER
ADHESIN

(Acinetobacter
sp. Tol 5) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A3015
SER A3013
GLY A3024
SER A3043
ALA A3036
 None
 1.44A 2vh3A-3wp8A:
undetectable		 2vh3A-3wp8A:
13.29
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.
3wp8 TRIMERIC
AUTOTRANSPORTER
ADHESIN

(Acinetobacter
sp. Tol 5) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A3034
ALA A3015
SER A3013
GLY A3024
SER A3043
 None
 1.24A 2vh3A-3wp8A:
undetectable		 2vh3A-3wp8A:
13.29
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.
3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 ALA A 307
PHE A 256
GLY A 268
SER A  81
ALA A  83
 None
 1.19A 2vh3A-3wzfA:
undetectable		 2vh3A-3wzfA:
15.27
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.
3ypi TRIOSEPHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF00121
(TIM) 		5 ALA A 169
ALA A 176
PHE A 229
SER A 211
ALA A 212
 None
None
None
PGH  A 249 (-3.7A)
None
 1.49A 2vh3A-3ypiA:
undetectable		 2vh3A-3ypiA:
19.35
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 ALA A 138
SER A 111
GLY A 107
ALA A 136
CYH A 135
 None
None
None
None
CU  A1460 (-2.1A)
 1.34A 2vh3A-3zbmA:
undetectable		 2vh3A-3zbmA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 ALA A 441
ALA A 251
GLY A 504
SER A 512
ALA A 510
 None
 1.41A 2vh3A-4av6A:
0.8		 2vh3A-4av6A:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ALA A 182
SER A 211
PHE A 212
GLY A 265
SER A 143
 None
None
NAG  A 401 (-4.8A)
None
NAG  A 401 (-3.4A)
 1.34A 2vh3A-4ay1A:
undetectable		 2vh3A-4ay1A:
16.34
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ALA A 495
ALA A 394
SER A 464
GLY A 401
ALA A 466
 None
 1.11A 2vh3A-4bc7A:
undetectable		 2vh3A-4bc7A:
11.70
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ALA A 495
SER A 464
GLY A 401
SER A 392
ALA A 466
 None
 1.31A 2vh3A-4bc7A:
undetectable		 2vh3A-4bc7A:
11.70
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ALA A 496
SER A 464
GLY A 401
SER A 392
ALA A 466
 None
 1.12A 2vh3A-4bc7A:
undetectable		 2vh3A-4bc7A:
11.70
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.
4eff AROMATIC-AMINO-ACID
AMINOTRANSFERASE

(Burkholderia
pseudomallei) 		PF00155
(Aminotran_1_2) 		5 ALA A  75
ALA A 297
PHE A 246
GLY A 258
SER A  79
 None
 0.99A 2vh3A-4effA:
undetectable		 2vh3A-4effA:
16.62
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.
4h0k CYTOCHROME C6

(Nostoc sp. PCC
7120) 		PF13442
(Cytochrome_CBB3) 		5 ALA A   7
GLY A  21
SER A  11
ALA A  15
CYH A  14
 None
None
None
None
HEM  A 200 (-1.9A)
 1.34A 2vh3A-4h0kA:
undetectable		 2vh3A-4h0kA:
27.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 300
ALA A 298
SER A 296
SER A 524
ALA A 527
 None
 1.30A 2vh3A-4isbA:
undetectable		 2vh3A-4isbA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA B  91
SER B 251
GLY B 247
SER B  87
ALA B  86
 None
None
None
LLP  B 210 ( 3.7A)
None
 1.38A 2vh3A-4iyoB:
undetectable		 2vh3A-4iyoB:
14.32
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.
4jsb ENOYL-COA HYDRATASE

(Thermobifida
fusca) 		PF00378
(ECH_1) 		5 ALA A 133
ALA A 141
SER A 143
PHE A 115
ALA A 136
 None
 1.24A 2vh3A-4jsbA:
undetectable		 2vh3A-4jsbA:
13.80
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.
4ki9 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
12

(Homo sapiens) 		PF00782
(DSPc) 		5 ALA A 124
SER A 122
PHE A  36
GLY A 118
ALA A 152
 None
PO4  A 201 ( 4.3A)
None
PO4  A 201 (-3.8A)
None
 1.07A 2vh3A-4ki9A:
undetectable		 2vh3A-4ki9A:
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 ALA A  84
PHE A 123
GLY A 102
SER A 107
ALA A 109
 None
 1.17A 2vh3A-4maaA:
undetectable		 2vh3A-4maaA:
14.95
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 ALA A 215
PHE A  29
GLY A  36
SER A 258
ALA A 261
 1S6  A 301 (-3.7A)
None
None
1S6  A 301 (-2.4A)
None
 1.35A 2vh3A-4mllA:
undetectable		 2vh3A-4mllA:
18.40
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.
4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A4350
SER A4087
PHE A4143
GLY A4089
ALA A4300
 None
 1.34A 2vh3A-4o2wA:
undetectable		 2vh3A-4o2wA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o3x TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 ALA B 230
ALA B 232
SER B 247
SER B 250
ALA B 271
 None
 1.39A 2vh3A-4o3xB:
undetectable		 2vh3A-4o3xB:
18.32
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.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ALA A 235
ALA A 237
SER A 252
SER A 255
ALA A 276
 None
 1.46A 2vh3A-4o4xA:
undetectable		 2vh3A-4o4xA:
14.44
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 ALA A 206
ALA A 202
SER A 234
GLY A 253
ALA A 259
 None
 1.39A 2vh3A-4o89A:
undetectable		 2vh3A-4o89A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oo2 CHLOROPHENOL-4-MONOO
XYGENASE

(Streptomyces
globisporus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ALA A 105
SER A 120
GLY A 118
SER A 108
ALA A 110
 None
 1.30A 2vh3A-4oo2A:
1.3		 2vh3A-4oo2A:
12.33
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.
4qiv BACTERIAL
MICROCOMPARTMENTS
FAMILY PROTEIN

(Aeromonas
hydrophila) 		PF00936
(BMC) 		5 ALA A  22
ALA A  19
GLY A   6
SER A  59
ALA A  56
 None
 1.46A 2vh3A-4qivA:
undetectable		 2vh3A-4qivA:
23.39
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.
4r8l UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF00710
(Asparaginase) 		5 ALA A 120
ALA A 123
SER A 127
PHE A 128
ALA A 327
 None
 1.12A 2vh3A-4r8lA:
undetectable		 2vh3A-4r8lA:
18.71
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		5 ALA A  20
ALA A 304
GLY A 298
ALA A  15
CYH A 282
 None
None
None
FAD  A1315 (-3.3A)
None
 1.28A 2vh3A-4up3A:
undetectable		 2vh3A-4up3A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ALA A 250
ALA A 244
GLY A 239
SER A 282
ALA A 280
 None
 1.25A 2vh3A-4x8fA:
undetectable		 2vh3A-4x8fA:
16.83
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ALA A 109
ALA A 113
GLY A 138
SER A 145
ALA A 142
 None
 1.30A 2vh3A-4z7yA:
undetectable		 2vh3A-4z7yA:
17.69
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		5 ALA A 320
ALA A 317
PHE A 116
GLY A 310
ALA A 100
 None
 1.44A 2vh3A-4zm4A:
undetectable		 2vh3A-4zm4A:
15.95
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A  39
ALA A  34
GLY A 295
SER A  36
ALA A  84
 None
 1.45A 2vh3A-5cioA:
undetectable		 2vh3A-5cioA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5coa IRIDOID SYNTHASE

(Catharanthus
roseus) 		no annotation 5 ALA A 251
ALA A 255
PHE A 364
GLY A 366
CYH A 274
 None
 1.50A 2vh3A-5coaA:
undetectable		 2vh3A-5coaA:
14.84
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 5 ALA B 257
ALA B 275
PHE B 373
GLY B 371
ALA B 283
 None
 1.24A 2vh3A-5cwwB:
3.3		 2vh3A-5cwwB:
10.37
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.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		5 ALA A 120
ALA A 123
SER A 127
PHE A 128
ALA A 327
 None
 1.14A 2vh3A-5dneA:
undetectable		 2vh3A-5dneA:
11.70
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  91
SER A 253
GLY A 249
SER A  87
ALA A  86
 None
None
None
PLP  A 501 (-3.7A)
None
 1.47A 2vh3A-5dx5A:
undetectable		 2vh3A-5dx5A:
14.50
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.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept) 		5 ALA A  43
ALA A  41
GLY B 346
SER A  22
ALA A  23
 None
 1.09A 2vh3A-5hftA:
undetectable		 2vh3A-5hftA:
15.15
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A  11
ALA A  13
PHE A 402
GLY A 400
ALA A  62
 None
 1.24A 2vh3A-5hwqA:
undetectable		 2vh3A-5hwqA:
12.68
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.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		5 ALA A 359
ALA A 295
SER A 293
PHE A 151
GLY A 290
 None
 1.44A 2vh3A-5k2yA:
undetectable		 2vh3A-5k2yA:
13.45
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.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Escherichia
coli) 		PF01977
(UbiD) 		5 ALA A 223
ALA A 220
SER A 268
ALA A 267
CYH A 130
 None
 1.34A 2vh3A-5m1bA:
undetectable		 2vh3A-5m1bA:
11.76
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 451
ALA A 435
SER A 360
SER A 133
ALA A 134
 None
 1.36A 2vh3A-5necA:
undetectable		 2vh3A-5necA:
19.83
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 ALA A 418
SER A 183
GLY A 342
SER A 422
ALA A 421
 None
None
DIO  A 620 ( 4.9A)
None
None
 1.28A 2vh3A-5nitA:
undetectable		 2vh3A-5nitA:
12.30
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF12838
(Fer4_7) 		5 ALA G  33
ALA B 167
SER B 162
GLY G  16
ALA G  21
 None
None
None
SF4  G 101 (-4.0A)
None
 1.18A 2vh3A-5t5iG:
undetectable		 2vh3A-5t5iG:
19.30
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 ALA A 265
ALA A 248
PHE A 212
GLY A 211
ALA A 222
 None
 1.39A 2vh3A-5v1wA:
1.2		 2vh3A-5v1wA:
9.76
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.
5vgr ATLASTIN-3

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		5 ALA A 354
SER A 410
PHE A 409
GLY A 405
ALA A 348
 None
 1.49A 2vh3A-5vgrA:
undetectable		 2vh3A-5vgrA:
14.95
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 223
SER A  76
GLY A  13
SER A 226
ALA A 228
 SO4  A 401 (-3.4A)
None
None
None
None
 0.94A 2vh3A-6aooA:
undetectable		 2vh3A-6aooA:
15.87
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ALA A  58
ALA A  60
PHE A 226
SER A 192
ALA A 209
 None
 1.30A 2vh3A-6ewjA:
undetectable		 2vh3A-6ewjA:
19.64