SIMILAR PATTERNS OF AMINO ACIDS FOR 5VOP_A_C2FA3001_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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 751
VAL A 425
VAL A 140
GLY A 142
ILE A 397
 None
 1.05A 5vopA-1dmsA:
undetectable		 5vopA-1dmsA:
17.24
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.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Escherichia
coli) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 GLY A  18
VAL A 350
LEU A   9
VAL A 123
GLY A 102
 None
 1.03A 5vopA-1f0kA:
undetectable		 5vopA-1f0kA:
22.54
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		6 ASN A  45
ASP A  43
LEU A 122
VAL A 194
GLY A 196
ILE A 227
 None
 1.08A 5vopA-1f6yA:
30.0		 5vopA-1f6yA:
30.00
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		9 GLU A   6
ASN A   9
ASP A  43
LEU A 122
VAL A 194
GLY A 196
SER A 198
ARG A 207
ILE A 227
 None
 0.46A 5vopA-1f6yA:
30.0		 5vopA-1f6yA:
30.00
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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLY E 226
VAL E  53
GLY E 196
SER E 195
ILE E 212
 None
 1.05A 5vopA-1h9hE:
undetectable		 5vopA-1h9hE:
20.13
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.
1hg0 L-ASPARAGINASE

(Dickeya
chrysanthemi) 		PF00710
(Asparaginase) 		5 GLY A  13
VAL A  46
VAL A  52
GLY A  54
ILE A   9
 None
 0.76A 5vopA-1hg0A:
2.9		 5vopA-1hg0A:
23.92
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 ASN B  20
GLY B  21
VAL B  44
GLY B  46
ASN B  47
 None
 1.05A 5vopA-1k5sB:
undetectable		 5vopA-1k5sB:
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 ASN A 263
GLY A 262
VAL A 416
GLY A 391
ASN A 394
 CA  A 801 ( 2.8A)
None
None
None
PQQ  A1800 (-3.1A)
 1.05A 5vopA-1kb0A:
undetectable		 5vopA-1kb0A:
18.53
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.
1ocy BACTERIOPHAGE T4
SHORT TAIL FIBRE

(Escherichia
virus T4) 		PF07484
(Collar)
PF14928
(S_tail_recep_bd) 		5 GLY A 435
VAL A 367
VAL A 525
GLY A 344
ILE A 523
 None
 0.97A 5vopA-1ocyA:
undetectable		 5vopA-1ocyA:
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 GLU A 252
GLY A 259
VAL A 283
VAL A 220
GLY A 246
ILE A 249
 None
 1.45A 5vopA-1ovmA:
2.2		 5vopA-1ovmA:
22.22
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 GLU A 190
GLY A 164
LEU A 220
VAL A 332
GLY A 369
 None
3PG  A 451 (-3.8A)
None
None
None
 1.07A 5vopA-1qpgA:
undetectable		 5vopA-1qpgA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 GLY A 244
ASP A 455
GLY A 117
ASN A  37
ILE A 122
 None
None
None
SO4  A1003 ( 4.6A)
None
 0.81A 5vopA-1u2xA:
2.8		 5vopA-1u2xA:
21.44
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 GLY A 233
ASP A 440
GLY A 111
ASN A  32
ILE A 116
 None
BGC  A2457 ( 2.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.5A)
None
 0.84A 5vopA-1ua4A:
3.3		 5vopA-1ua4A:
22.75
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.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 VAL A  42
LEU A  55
VAL A  20
GLY A  28
ILE A  31
 None
 0.99A 5vopA-1uznA:
2.5		 5vopA-1uznA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyj PROTOCADHERIN BETA
14

(Mus musculus) 		PF08266
(Cadherin_2) 		5 ASP A  33
LEU A  57
VAL A  90
GLY A 101
ILE A  13
 None
 0.92A 5vopA-1wyjA:
undetectable		 5vopA-1wyjA:
22.57
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.
1zy4 SERINE/THREONINE-PRO
TEIN KINASE GCN2

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 GLU A 904
GLY A 830
ASP A 907
VAL A 860
VAL A 895
ILE A 906
 None
 1.48A 5vopA-1zy4A:
undetectable		 5vopA-1zy4A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		5 GLY A 108
VAL A 309
VAL A  53
GLY A 261
ILE A 262
 PLP  A 413 (-3.5A)
None
None
None
None
 1.04A 5vopA-2ay9A:
2.6		 5vopA-2ay9A:
25.00
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 GLU A  48
VAL A  37
VAL A  90
GLY A  78
SER A  80
 None
 1.03A 5vopA-2b6nA:
undetectable		 5vopA-2b6nA:
19.16
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 197
VAL A 213
LEU A 215
GLY A  39
SER A  42
 None
None
None
None
FAD  A1385 ( 3.8A)
 1.06A 5vopA-2bi7A:
undetectable		 5vopA-2bi7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hbo HYPOTHETICAL PROTEIN
(NP_422103.1)

(Caulobacter
vibrioides) 		PF03061
(4HBT) 		5 GLY A 136
LEU A  33
VAL A 104
GLY A 106
ILE A 124
 None
 0.81A 5vopA-2hboA:
undetectable		 5vopA-2hboA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 VAL A  62
LEU A 133
VAL A  58
SER A  49
ILE A  55
 None
 0.94A 5vopA-2oolA:
undetectable		 5vopA-2oolA:
22.78
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.
2q6k CHLORINASE

(Salinispora
tropica) 		PF01887
(SAM_adeno_trans) 		5 GLU A 257
VAL A 179
VAL A 189
GLY A 187
ILE A 256
 None
 1.01A 5vopA-2q6kA:
undetectable		 5vopA-2q6kA:
23.68
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.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		6 GLY A 361
VAL A 376
LEU A  72
VAL A 146
SER A 149
ILE A 172
 None
None
None
None
COA  A1383 (-3.5A)
None
 1.25A 5vopA-2vatA:
undetectable		 5vopA-2vatA:
22.46
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY S 226
VAL S  53
GLY S 196
SER S 195
ILE S 212
 None
 1.06A 5vopA-2wpmS:
undetectable		 5vopA-2wpmS:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 139
GLY A 150
VAL A  35
LEU A  23
GLY A  67
 None
 1.07A 5vopA-2wtbA:
2.2		 5vopA-2wtbA:
19.80
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 GLY F  87
ASP F  83
GLY F 144
ASN F 142
ILE F 145
 None
 1.00A 5vopA-2xwbF:
undetectable		 5vopA-2xwbF:
17.90
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.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 6 GLU A 208
VAL A 173
LEU A 177
VAL A 204
ARG A 144
ILE A 206
 None
 1.40A 5vopA-2y4lA:
undetectable		 5vopA-2y4lA:
24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 ASN A  10
ASP A  76
VAL A 195
GLY A 197
ASN A 200
ARG A 208
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 1.35A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		7 ASN A  46
ASP A  44
LEU A 123
VAL A 195
GLY A 197
ASN A 200
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 1.09A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		10 GLU A   7
ASN A  10
ASP A  44
LEU A 123
VAL A 195
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.36A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 GLY A 173
VAL A 215
VAL A 124
ASN A  98
ILE A 188
 None
 1.02A 5vopA-3a1iA:
undetectable		 5vopA-3a1iA:
20.58
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLU A 275
ASP A 227
VAL A 315
ARG A 412
ILE A 271
 None
 0.98A 5vopA-3abgA:
undetectable		 5vopA-3abgA:
21.39
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.
3aqg ZYMOGEN GRANULE
PROTEIN 16 HOMOLOG B

(Homo sapiens) 		PF01419
(Jacalin) 		5 GLY A 102
VAL A 122
LEU A 164
GLY A 180
ILE A 179
 None
 0.93A 5vopA-3aqgA:
undetectable		 5vopA-3aqgA:
17.94
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 177
VAL A 281
LEU A 277
GLY A 315
ASN A 346
 None
None
GOL  A 500 (-4.2A)
GOL  A 500 ( 3.9A)
None
 1.07A 5vopA-3awkA:
undetectable		 5vopA-3awkA:
21.92
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLU A 320
ASN A 323
ASP A 358
LEU A 437
GLY A 505
SER A 507
ILE A 536
 None
 0.66A 5vopA-3bolA:
23.0		 5vopA-3bolA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 ASN A 221
GLY A 224
ASP A 155
VAL A 317
SER A 159
 None
 1.00A 5vopA-3cdxA:
undetectable		 5vopA-3cdxA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 172
ASP A 168
GLY A 187
ARG A 179
ILE A 186
 CA  A 303 (-2.8A)
None
None
None
None
 1.02A 5vopA-3dbkA:
undetectable		 5vopA-3dbkA:
19.06
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.
3f4l PUTATIVE
OXIDOREDUCTASE YHHX

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLU A 145
LEU A 277
VAL A 238
GLY A 240
ILE A 146
 None
 0.85A 5vopA-3f4lA:
undetectable		 5vopA-3f4lA:
23.71
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.
3fk9 MUTATOR MUTT PROTEIN

(Bacillus
halodurans) 		PF00293
(NUDIX) 		5 GLY A  62
VAL A 109
VAL A  15
ASN A   6
ILE A   8
 None
 1.04A 5vopA-3fk9A:
undetectable		 5vopA-3fk9A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M) 		5 VAL A 256
LEU A 240
VAL A 262
GLY A 247
ILE A 248
 None
 1.04A 5vopA-3fsxA:
undetectable		 5vopA-3fsxA:
23.50
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.
3hm2 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE

(Corynebacterium
diphtheriae) 		no annotation 5 GLU A  53
GLY A  80
LEU A  41
GLY A  34
ILE A  62
 None
 1.06A 5vopA-3hm2A:
2.1		 5vopA-3hm2A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ij5 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Yersinia pestis) 		PF08282
(Hydrolase_3) 		5 GLY A  39
VAL A 168
LEU A  28
VAL A 139
GLY A 123
 None
 1.07A 5vopA-3ij5A:
undetectable		 5vopA-3ij5A:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		6 ASN A 361
GLY A 364
ASP A 431
VAL A 478
GLY A 558
ASN A 561
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.3A)
None
THH  A 642 (-3.3A)
THH  A 642 ( 3.3A)
 1.43A 5vopA-3k13A:
39.5		 5vopA-3k13A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASN A 398
ASP A 396
GLY A 558
ASN A 561
ILE A 593
 None
THH  A 642 ( 4.7A)
THH  A 642 (-3.3A)
THH  A 642 ( 3.3A)
THH  A 642 (-4.2A)
 0.93A 5vopA-3k13A:
39.5		 5vopA-3k13A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		10 GLU A 358
ASN A 361
GLY A 364
ASP A 396
VAL A 478
GLY A 558
SER A 560
ASN A 561
ARG A 573
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 ( 4.7A)
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.35A 5vopA-3k13A:
39.5		 5vopA-3k13A:
34.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 VAL A  32
LEU A  45
VAL A  10
GLY A  18
ILE A  21
 None
 0.99A 5vopA-3m1aA:
2.0		 5vopA-3m1aA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m21 PROBABLE TAUTOMERASE
HP_0924

(Helicobacter
pylori) 		PF01361
(Tautomerase) 		5 GLU A  47
GLY A  13
VAL A  26
VAL A  43
ILE A  45
 None
 0.78A 5vopA-3m21A:
undetectable		 5vopA-3m21A:
13.52
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 VAL A  31
LEU A  73
VAL A  10
GLY A  17
ILE A  20
 None
 1.07A 5vopA-3mogA:
undetectable		 5vopA-3mogA:
23.45
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 GLY A 295
LEU A 265
GLY A 341
ASN A 343
ILE A 340
 None
 1.07A 5vopA-3nwuA:
undetectable		 5vopA-3nwuA:
23.13
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLY B 807
LEU B 313
GLY B 688
ASN B 830
ILE B 810
 None
 0.99A 5vopA-3ohmB:
4.6		 5vopA-3ohmB:
16.84
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 GLY A 120
VAL A 206
VAL A 218
GLY A 149
ASN A 147
 None
 0.95A 5vopA-3om5A:
undetectable		 5vopA-3om5A:
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.
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo sapiens) 		PF04446
(Thg1)
PF14413
(Thg1C) 		5 GLU A 189
LEU A 170
VAL A 160
SER A 193
ILE A 190
 None
 1.03A 5vopA-3otdA:
undetectable		 5vopA-3otdA:
22.77
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.
3r20 CYTIDYLATE KINASE

(Mycolicibacterium
smegmatis) 		PF02224
(Cytidylate_kin) 		5 GLY A  17
VAL A 221
LEU A  29
VAL A 144
ILE A 146
 DPO  A 230 (-3.1A)
None
None
None
None
 0.84A 5vopA-3r20A:
undetectable		 5vopA-3r20A:
23.67
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 453
VAL A 328
LEU A 325
GLY A 297
ASN A 302
 None
 1.07A 5vopA-3v4cA:
undetectable		 5vopA-3v4cA:
22.47
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.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.07A 5vopA-3v4vB:
undetectable		 5vopA-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLU A 116
LEU A 139
VAL A  72
GLY A 110
ILE A 117
 None
NAI  A1400 (-4.5A)
None
None
None
 1.06A 5vopA-3zu4A:
undetectable		 5vopA-3zu4A:
22.77
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 232
VAL A 104
LEU A 102
VAL A  15
ILE A 190
 None
 1.04A 5vopA-4b46A:
undetectable		 5vopA-4b46A:
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 GLY A 241
ASP A 451
GLY A 119
ASN A  40
ILE A 124
 None
GLC  A 468 (-2.9A)
GLC  A 468 (-3.5A)
GLC  A 468 ( 4.1A)
None
 0.76A 5vopA-4b8sA:
3.0		 5vopA-4b8sA:
22.22
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.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		5 GLY A 339
VAL A 358
LEU A 332
VAL A 384
GLY A 372
 None
 0.86A 5vopA-4bizA:
undetectable		 5vopA-4bizA:
25.81
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.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		5 GLY A 339
VAL A 358
LEU A 332
VAL A 384
ILE A 382
 None
 1.02A 5vopA-4bizA:
undetectable		 5vopA-4bizA:
25.81
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 ASN A 379
GLY A 382
ASP A 449
VAL A 496
GLY A 576
ASN A 579
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
THG  A1652 (-3.4A)
None
THG  A1652 (-3.6A)
THG  A1652 (-3.1A)
 1.32A 5vopA-4cczA:
38.9		 5vopA-4cczA:
16.87
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		10 GLU A 376
ASN A 379
GLY A 382
ASP A 414
VAL A 496
GLY A 576
SER A 578
ASN A 579
ARG A 591
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
None
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.48A 5vopA-4cczA:
38.9		 5vopA-4cczA:
16.87
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.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 216
LEU A 257
GLY A 212
ASN A 200
ILE A 213
 None
 1.04A 5vopA-4drtA:
undetectable		 5vopA-4drtA:
23.54
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.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		5 GLY A 366
VAL A 312
VAL A  37
GLY A  33
ILE A  34
 None
 1.07A 5vopA-4dteA:
undetectable		 5vopA-4dteA:
22.55
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		5 GLY A 177
VAL A 133
LEU A 299
GLY A 151
ILE A 169
 EDO  A 502 (-3.7A)
None
None
None
None
 1.08A 5vopA-4e4rA:
undetectable		 5vopA-4e4rA:
23.53
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLY A 396
VAL A 412
VAL A 475
GLY A 409
ILE A 472
 None
 1.01A 5vopA-4fnqA:
7.7		 5vopA-4fnqA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 GLY A  66
VAL A 227
LEU A 231
VAL A 259
ILE A  53
 None
 0.91A 5vopA-4fqdA:
undetectable		 5vopA-4fqdA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLU A 523
LEU A 487
VAL A 495
GLY A 499
SER A 502
 NAG  A1010 (-3.9A)
None
None
NAG  A1010 ( 4.4A)
NAG  A1010 (-4.1A)
 0.81A 5vopA-4fysA:
undetectable		 5vopA-4fysA:
16.54
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.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 GLY A 149
LEU A 109
GLY A  58
SER A  60
ILE A  57
 None
 0.88A 5vopA-4jerA:
undetectable		 5vopA-4jerA:
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.
4jqp 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Paraburkholderia
phymatum) 		PF04166
(PdxA) 		5 ASN A 222
GLY A 232
VAL A 177
VAL A 195
ILE A 240
 None
 0.97A 5vopA-4jqpA:
2.5		 5vopA-4jqpA:
25.13
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 150
VAL A 169
LEU A 198
GLY A 173
SER A 174
 NK  A 501 (-3.1A)
None
None
None
None
 1.07A 5vopA-4jz6A:
2.7		 5vopA-4jz6A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		5 GLY A  41
VAL A 461
LEU A 351
VAL A 449
ILE A 439
 None
 1.00A 5vopA-4kjdA:
undetectable		 5vopA-4kjdA:
19.84
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.
4m8s PUTATIVE
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		5 VAL A  35
LEU A  52
VAL A  13
GLY A  21
ILE A  24
 None
 1.05A 5vopA-4m8sA:
2.7		 5vopA-4m8sA:
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.
4mow GLUCOSE
1-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ASN A 219
VAL A  33
VAL A  11
GLY A  19
ILE A  22
 None
 1.03A 5vopA-4mowA:
undetectable		 5vopA-4mowA:
24.77
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.
4n6f PUTATIVE THIOSUGAR
SYNTHASE

(Amycolatopsis
orientalis) 		PF05690
(ThiG) 		6 GLU A 194
GLY A 196
VAL A  42
LEU A  38
GLY A  29
ARG A 114
 F6R  A 304 (-3.6A)
F6R  A 304 (-3.5A)
None
None
F6R  A 304 ( 3.7A)
F6R  A 304 (-2.8A)
 1.35A 5vopA-4n6fA:
7.2		 5vopA-4n6fA:
26.65
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASN A  10
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 0.94A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.54A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.95A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
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.
4psd CARBOHYDRATE
ESTERASE FAMILY 5

(Trichoderma
reesei) 		PF01083
(Cutinase) 		5 GLU A  75
GLY A 101
VAL A 149
LEU A 158
GLY A 118
 None
 1.05A 5vopA-4psdA:
undetectable		 5vopA-4psdA:
22.51
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
 None
 1.01A 5vopA-4q0cA:
undetectable		 5vopA-4q0cA:
21.26
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		5 ASN A 221
VAL A  34
VAL A  12
GLY A  20
ILE A  23
 None
 1.01A 5vopA-4rf3A:
undetectable		 5vopA-4rf3A:
23.87
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.
4rv0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE
TER94

(Drosophila
melanogaster) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 GLY A  16
VAL A  54
LEU A  48
VAL A  36
ILE A  79
 None
 1.00A 5vopA-4rv0A:
undetectable		 5vopA-4rv0A:
22.22
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 GLY A 154
VAL A 139
LEU A 259
GLY A 132
ILE A 168
 None
 0.77A 5vopA-4rxmA:
2.6		 5vopA-4rxmA:
23.91
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.
4yh2 GLUTATHIONE S
TRANSFERASE E6

(Drosophila
melanogaster) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 GLU A 193
ASN A 202
GLY A 203
VAL A 142
ILE A 189
 None
 0.98A 5vopA-4yh2A:
undetectable		 5vopA-4yh2A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY H 226
LEU H 121
VAL H  53
SER H 195
ILE H 212
 0Z7  H 501 (-3.0A)
None
None
0Z7  H 501 (-1.4A)
None
 1.06A 5vopA-4ylqH:
undetectable		 5vopA-4ylqH:
23.51
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.
4zem TRANSLATION
INITIATION FACTOR
EIF2B-LIKE
PROTEIN,TRANSLATION
INITIATION FACTOR
EIF2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		5 GLU A 194
VAL A  72
LEU A  68
VAL A  96
ILE A 193
 None
 0.84A 5vopA-4zemA:
2.4		 5vopA-4zemA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A  68
LEU A  28
VAL A 246
GLY A 244
ARG A  46
 None
 1.06A 5vopA-5bp1A:
undetectable		 5vopA-5bp1A:
19.21
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.
5c6u AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF12897
(Aminotran_MocR) 		5 GLY A  74
ASP A 290
LEU A  50
GLY A 264
SER A 266
 None
 1.02A 5vopA-5c6uA:
undetectable		 5vopA-5c6uA:
22.47
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		5 VAL A  32
LEU A  49
VAL A  10
GLY A  18
ILE A  21
 None
 1.07A 5vopA-5cejA:
2.6		 5vopA-5cejA:
23.58
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.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLU B 212
GLY B 213
LEU B 165
GLY B 206
SER B 114
 None
 1.04A 5vopA-5e6sB:
undetectable		 5vopA-5e6sB:
22.00
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.
5i1t STAGE II SPORULATION
PROTEIN D

(Clostridioides
difficile) 		PF08486
(SpoIID) 		5 LEU A 284
VAL A 263
GLY A 280
ASN A 281
ILE A 254
 None
 0.86A 5vopA-5i1tA:
undetectable		 5vopA-5i1tA:
20.82
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 GLY A 236
ASP A 443
GLY A 114
ASN A  35
ILE A 119
 None
GLC  A 503 (-2.6A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.4A)
None
 0.85A 5vopA-5o0jA:
3.3		 5vopA-5o0jA:
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 GLY A 233
ASP A 442
GLY A 106
ASN A  26
ILE A 111
 None
GLC  A 501 ( 2.6A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.8A)
None
 0.83A 5vopA-5od2A:
3.0		 5vopA-5od2A:
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.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 VAL A  50
LEU A  63
VAL A  28
GLY A  36
ILE A  39
 None
 0.96A 5vopA-5ovkA:
3.0		 5vopA-5ovkA:
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 VAL A  50
LEU A  63
VAL A  28
GLY A  36
ILE A  39
 None
 1.08A 5vopA-5ovlA:
undetectable		 5vopA-5ovlA:
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 234
LEU A 275
GLY A 230
ASN A 218
ILE A 231
 None
 1.02A 5vopA-5tr7A:
undetectable		 5vopA-5tr7A:
23.54
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.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 GLU B2569
GLY B2571
LEU B2589
GLY B2551
ILE B2552
 None
 0.92A 5vopA-5v4bB:
undetectable		 5vopA-5v4bB:
20.92
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 7 ASN A 376
GLY A 379
ASP A 443
VAL A 490
VAL A 568
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.35A 5vopA-5vopA:
50.8		 5vopA-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 12 GLU A 373
ASN A 376
GLY A 379
ASP A 411
VAL A 490
LEU A 492
VAL A 568
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.00A 5vopA-5vopA:
50.8		 5vopA-5vopA:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 6 GLY A 242
ASP A 471
GLY A 114
SER A  33
ASN A  34
ILE A 119
 None
ADP  A 501 (-3.6A)
None
None
None
None
 0.87A 5vopA-6c8zA:
2.6		 5vopA-6c8zA:
undetectable