SIMILAR PATTERNS OF AMINO ACIDS FOR 4MM8_A_RFXA603_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.
1a5l UREASE (ALPHA
SUBUNIT)


(Klebsiella
aerogenes)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
5 VAL C 421
ALA C 418
GLY C 192
GLY C 416
ASP C 431
None
1.09A 4mm8A-1a5lC:
undetectable
4mm8A-1a5lC:
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.
1by1 PROTEIN (PIX)

(Homo sapiens)
PF00621
(RhoGEF)
5 ALA A 133
GLY A 144
SER A 135
GLY A 137
THR A  34
None
1.19A 4mm8A-1by1A:
undetectable
4mm8A-1by1A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cjl PROCATHEPSIN L

(Homo sapiens)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
5 ALA A  73
TYR A  72
GLY A  86
PHE A 112
ASP A  79
None
1.15A 4mm8A-1cjlA:
0.0
4mm8A-1cjlA:
19.89
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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1)
PF00082
(Peptidase_S8)
5 ASP A  48
VAL A 211
ALA A 220
TYR A 219
GLY A  92
CA  A 701 (-2.2A)
None
None
None
None
1.04A 4mm8A-1dbiA:
0.1
4mm8A-1dbiA:
20.27
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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)


(Desulfovibrio
desulfuricans)
PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9)
5 VAL A 110
ALA A 109
GLY A  70
GLY A 381
THR A 260
PDT  A   4 (-4.3A)
PDT  A   4 ( 3.1A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 3.9A)
None
1.17A 4mm8A-1e08A:
0.0
4mm8A-1e08A:
21.18
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE


(Paraburkholderia
xenovorans)
PF00903
(Glyoxalase)
5 ASP A  39
VAL A  13
ALA A  12
GLY A  10
ASP A  15
None
1.09A 4mm8A-1lkdA:
undetectable
4mm8A-1lkdA:
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1


(Hordeum vulgare)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
5 VAL A 150
ALA A 149
GLY A 229
GLY A 210
ASP A 166
None
1.19A 4mm8A-1lq2A:
0.0
4mm8A-1lq2A:
19.75
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A)
PF09220
(LA-virus_coat)
5 VAL A  32
TYR A  47
PHE A 474
SER A  50
THR A 591
None
1.07A 4mm8A-1m1cA:
0.0
4mm8A-1m1cA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE


(Enterobacter
cloacae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ALA A 541
GLY A 384
PHE A 388
ASP A 289
THR A 290
None
TPP  A 600 (-3.5A)
None
None
None
1.14A 4mm8A-1ovmA:
0.0
4mm8A-1ovmA:
22.56
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE


(Enterobacter
cloacae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 GLY A 384
PHE A 388
GLY A 540
ASP A 289
THR A 290
TPP  A 600 (-3.5A)
None
None
None
None
1.12A 4mm8A-1ovmA:
0.0
4mm8A-1ovmA:
22.56
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.
1qhk PROTEIN
(RIBONUCLEASE HI)


(Saccharomyces
cerevisiae)
PF01693
(Cauli_VI)
5 VAL A  11
ALA A  10
TYR A  20
TYR A   9
GLY A  35
None
0.90A 4mm8A-1qhkA:
undetectable
4mm8A-1qhkA:
6.84
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.
1r9h FK506 BINDING
PROTEIN FAMILY


(Caenorhabditis
elegans)
PF00254
(FKBP_C)
5 VAL A  16
SER A  92
GLY A  95
ASP A   7
THR A   9
None
1.21A 4mm8A-1r9hA:
undetectable
4mm8A-1r9hA:
14.01
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.
1tuh HYPOTHETICAL PROTEIN
EGC068


(uncultured
bacterium)
PF12680
(SnoaL_2)
5 TYR A  32
VAL A 131
GLY A 103
GLY A  31
ASP A 133
None
1.18A 4mm8A-1tuhA:
undetectable
4mm8A-1tuhA:
14.26
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.
1udx THE GTP-BINDING
PROTEIN OBG


(Thermus
thermophilus)
PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967)
5 VAL A  20
ALA A  19
GLY A  32
PHE A  22
GLY A  73
None
1.16A 4mm8A-1udxA:
0.0
4mm8A-1udxA:
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.
1vdk FUMARATE HYDRATASE
CLASS II


(Thermus
thermophilus)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ASP A 142
VAL A 246
ALA A 247
GLY A 137
PHE A 242
None
1.20A 4mm8A-1vdkA:
undetectable
4mm8A-1vdkA:
21.76
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.
1vr4 HYPOTHETICAL PROTEIN
APC22750


(Bacillus cereus)
PF01906
(YbjQ_1)
5 VAL A  94
ALA A  95
TYR A  84
SER A  97
GLY A  23
None
1.08A 4mm8A-1vr4A:
undetectable
4mm8A-1vr4A:
11.18
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ


(Bacillus
halodurans)
PF01960
(ArgJ)
5 VAL A  18
GLY A  41
PHE A 154
SER A  25
GLY A 150
None
None
None
None
EDO  A 204 ( 3.8A)
1.18A 4mm8A-1vraA:
undetectable
4mm8A-1vraA:
17.55
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT


(Thermotoga
maritima)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
5 ALA A 617
TYR A 614
GLY A 246
PHE A 247
GLY A 624
None
1.16A 4mm8A-1xjeA:
undetectable
4mm8A-1xjeA:
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT


(Streptomyces
coelicolor)
PF01039
(Carboxyl_trans)
5 VAL A 185
ALA A 184
TYR A 186
GLY A 207
GLY A 143
None
None
None
None
1VU  A5601 (-3.4A)
1.21A 4mm8A-1xnyA:
undetectable
4mm8A-1xnyA:
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT


(Homo sapiens)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 540
TYR A 541
GLY A 593
SER A 624
GLY A 627
None
1.13A 4mm8A-1z68A:
undetectable
4mm8A-1z68A:
21.69
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.
1zxx 6-PHOSPHOFRUCTOKINAS
E


(Lactobacillus
delbrueckii)
PF00365
(PFK)
5 VAL A  20
GLY A 124
SER A 265
GLY A 268
THR A   8
None
1.21A 4mm8A-1zxxA:
undetectable
4mm8A-1zxxA:
22.66
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 517
TYR A 518
GLY A 572
SER A 603
GLY A 606
None
1.08A 4mm8A-2d5lA:
undetectable
4mm8A-2d5lA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT


(Gallus gallus)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
5 TYR A 220
GLY A 369
SER A 229
GLY A 231
THR A 535
None
K  A 622 ( 4.7A)
FAD  A1001 ( 4.9A)
None
None
1.06A 4mm8A-2h88A:
undetectable
4mm8A-2h88A:
22.15
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.
2iht CARBOXYETHYLARGININE
SYNTHASE


(Streptomyces
clavuligerus)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
6 ASP A 409
VAL A  62
ALA A  63
PHE A  58
ASP A  98
THR A  94
None
1.21A 4mm8A-2ihtA:
undetectable
4mm8A-2ihtA:
22.89
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.
2iq1 PROTEIN PHOSPHATASE
2C KAPPA, PPM1K


(Homo sapiens)
PF00481
(PP2C)
5 VAL A 125
ALA A 124
GLY A 207
ASP A 109
THR A 297
None
None
None
MG  A   1 ( 4.9A)
None
1.17A 4mm8A-2iq1A:
undetectable
4mm8A-2iq1A:
18.52
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.
2wk2 CHITINASE A

(Serratia
marcescens)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
5 ALA A 442
GLY A 525
SER A 538
GLY A 440
ASP A 517
None
1.00A 4mm8A-2wk2A:
undetectable
4mm8A-2wk2A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE


(Amycolatopsis
orientalis)
PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N)
5 ASP A 256
VAL A 261
ALA A 260
GLY A 225
THR A 263
None
1.21A 4mm8A-2x05A:
undetectable
4mm8A-2x05A:
18.67
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
5 TYR A  40
GLY A 321
SER A 346
ASP A  33
THR A 316
None
1.21A 4mm8A-2z8zA:
undetectable
4mm8A-2z8zA:
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.
2zzg ALANYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD)
5 VAL A 167
ALA A 170
PHE A 202
ASP A 164
THR A   7
None
1.23A 4mm8A-2zzgA:
undetectable
4mm8A-2zzgA:
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526


(Sulfurisphaera
tokodaii)
PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5)
5 VAL A 294
ALA A 295
GLY A 317
PHE A 318
GLY A 324
None
1.01A 4mm8A-3ajeA:
undetectable
4mm8A-3ajeA:
21.75
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.
3b9e CHITINASE A

(Vibrio harveyi)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
5 ALA A 459
GLY A 556
SER A 569
GLY A 457
ASP A 548
None
1.04A 4mm8A-3b9eA:
undetectable
4mm8A-3b9eA:
24.39
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.
3bjr PUTATIVE
CARBOXYLESTERASE


(Lactobacillus
plantarum)
PF07859
(Abhydrolase_3)
5 TYR A  18
VAL A  47
ALA A  48
GLY A  17
SER A  52
None
GOL  A 265 (-3.9A)
GOL  A 265 (-3.3A)
None
None
1.12A 4mm8A-3bjrA:
undetectable
4mm8A-3bjrA:
18.08
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ASP A 365
TYR A 133
GLY A 362
GLY A 411
ASP A 159
None
None
NAD  A 550 (-3.5A)
None
None
1.19A 4mm8A-3ce6A:
undetectable
4mm8A-3ce6A:
22.63
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.
3e6c CYCLIC
NUCLEOTIDE-BINDING
PROTEIN


(Desulfitobacterium
hafniense)
PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2)
5 VAL C  43
ALA C  42
GLY C  59
GLY C  40
THR C 104
None
1.13A 4mm8A-3e6cC:
undetectable
4mm8A-3e6cC:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ASP A 346
TYR A 117
GLY A 343
GLY A 389
ASP A 142
None
None
NAD  A 601 (-3.4A)
None
None
1.13A 4mm8A-3glqA:
undetectable
4mm8A-3glqA:
22.26
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.
3hf9 PROTEASOME (ALPHA
SUBUNIT) PRCA


(Mycobacterium
tuberculosis)
no annotation 5 TYR A 103
VAL A  60
ALA A 125
GLY A  78
ASP A  58
None
1.21A 4mm8A-3hf9A:
undetectable
4mm8A-3hf9A:
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY


(Clostridium
acetobutylicum)
PF13419
(HAD_2)
5 ASP A  10
VAL A 105
ALA A 106
SER A 108
GLY A 132
GOL  A 303 ( 3.8A)
None
None
None
None
1.07A 4mm8A-3mc1A:
undetectable
4mm8A-3mc1A:
17.74
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.
3mkh NITROALKANE OXIDASE

(Podospora
anserina)
PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N)
5 TYR A  51
GLY A  62
SER A  56
GLY A 124
THR A  99
None
1.12A 4mm8A-3mkhA:
undetectable
4mm8A-3mkhA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mpn TRANSPORTER

(Aquifex
aeolicus)
PF00209
(SNF)
7 VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 356
ASP A 404
None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
None
None
0.42A 4mm8A-3mpnA:
60.4
4mm8A-3mpnA:
97.24
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.
3n2t PUTATIVE
OXIDOREDUCTASE


(Gluconobacter
oxydans)
PF00248
(Aldo_ket_red)
5 VAL A  68
ALA A  71
GLY A  27
GLY A  38
THR A  55
None
1.06A 4mm8A-3n2tA:
undetectable
4mm8A-3n2tA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE


(Oryctolagus
cuniculus)
PF00365
(PFK)
5 VAL A  34
GLY A 163
SER A 314
GLY A 317
THR A  22
None
1.09A 4mm8A-3o8lA:
undetectable
4mm8A-3o8lA:
21.58
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.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 ASP A 352
TYR A 117
GLY A 349
GLY A 399
ASP A 142
None
None
NAD  A 501 (-3.5A)
None
None
1.17A 4mm8A-3oneA:
undetectable
4mm8A-3oneA:
22.11
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.
3puk SYNTAXIN-BINDING
PROTEIN 3


(Mus musculus)
PF00995
(Sec1)
5 TYR A 160
GLY A 538
SER A 443
GLY A 446
THR A 247
None
1.14A 4mm8A-3pukA:
undetectable
4mm8A-3pukA:
20.67
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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis)
PF03051
(Peptidase_C1_2)
5 VAL A 284
ALA A 283
GLY A  33
PHE A  34
GLY A 281
EDO  A 431 (-3.9A)
None
None
EDO  A 431 (-4.9A)
None
1.09A 4mm8A-3pw3A:
undetectable
4mm8A-3pw3A:
19.77
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.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
5 ALA A 312
GLY A 214
GLY A 290
ASP A 331
THR A 344
None
1.04A 4mm8A-3q6dA:
undetectable
4mm8A-3q6dA:
21.40
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.
3q9o EXOTOXIN A

(Vibrio cholerae)
PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target)
5 TYR A 365
GLY A 374
SER A 381
GLY A 383
THR A 370
GOL  A 801 (-4.1A)
None
GOL  A 801 (-2.6A)
None
None
1.03A 4mm8A-3q9oA:
undetectable
4mm8A-3q9oA:
20.91
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.
3qs2 FIMBRILLIN MATB
HOMOLOG


(Escherichia
coli)
PF16449
(MatB)
5 VAL A 148
ALA A 147
GLY A 144
ASP A 150
THR A 153
IOD  A 205 ( 4.0A)
None
None
None
None
1.22A 4mm8A-3qs2A:
undetectable
4mm8A-3qs2A:
16.31
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG


(Cupriavidus
necator)
PF00374
(NiFeSe_Hases)
5 ALA L 568
GLY L   8
SER L 572
GLY L 297
ASP L 561
None
1.22A 4mm8A-3rgwL:
undetectable
4mm8A-3rgwL:
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.
3sd7 PUTATIVE PHOSPHATASE

(Clostridioides
difficile)
PF13419
(HAD_2)
5 ASP A  13
VAL A 107
ALA A 108
SER A 110
GLY A 134
None
None
None
None
GOL  A 221 (-4.2A)
1.00A 4mm8A-3sd7A:
undetectable
4mm8A-3sd7A:
19.04
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE


(Pseudoalteromonas
sp. BB1)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
5 VAL A 164
ALA A 163
GLY A 237
GLY A 218
ASP A 180
None
1.15A 4mm8A-3uszA:
undetectable
4mm8A-3uszA:
20.84
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN


(Burkholderia
thailandensis)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
6 ASP A  63
VAL A  72
GLY A  29
SER A 148
GLY A  69
ASP A  74
EDO  A 467 (-3.8A)
None
None
None
None
None
1.26A 4mm8A-3uw2A:
undetectable
4mm8A-3uw2A:
22.69
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.
3w40 PHOSPHOSERINE
PHOSPHATASE RSBX


(Bacillus
subtilis)
PF07228
(SpoIIE)
5 VAL A  42
ALA A  41
GLY A 108
ASP A  27
THR A 155
None
None
None
MG  A 201 ( 4.6A)
None
1.21A 4mm8A-3w40A:
undetectable
4mm8A-3w40A:
16.44
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.
3wec CYTOCHROME P450

(Rhodococcus
erythropolis)
PF00067
(p450)
5 ASP A  67
ALA A 323
GLY A  90
GLY A 304
ASP A  75
None
None
None
AUI  A 502 (-3.5A)
None
1.15A 4mm8A-3wecA:
undetectable
4mm8A-3wecA:
23.29
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13


(Mycobacterium
tuberculosis)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
5 VAL A 596
ALA A 482
TYR A 484
GLY A 567
GLY A 486
None
1.22A 4mm8A-3zukA:
undetectable
4mm8A-3zukA:
21.69
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E


(Bacillus
subtilis)
PF00365
(PFK)
5 VAL A  20
GLY A 124
SER A 265
GLY A 268
THR A   8
None
1.17A 4mm8A-4a3sA:
undetectable
4mm8A-4a3sA:
20.50
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis)
PF00141
(peroxidase)
5 ASP A 735
VAL A 545
ALA A 476
SER A 481
ASP A 542
None
1.21A 4mm8A-4c51A:
undetectable
4mm8A-4c51A:
22.27
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.
4cu8 GLYCOSIDE HYDROLASE
2


(Streptococcus
pneumoniae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
5 VAL A 950
ALA A 951
TYR A 890
TYR A 888
GLY A 920
None
None
EDO  A2026 ( 4.1A)
None
None
1.11A 4mm8A-4cu8A:
undetectable
4mm8A-4cu8A:
21.34
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.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL


(Homo sapiens)
PF00481
(PP2C)
5 VAL A 125
ALA A 124
GLY A 207
ASP A 109
THR A 297
None
None
None
MG  A 504 ( 4.7A)
None
1.11A 4mm8A-4da1A:
undetectable
4mm8A-4da1A:
21.82
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis)
no annotation 5 VAL A 214
ALA A 213
TYR A 212
GLY A 180
SER A 206
None
1.22A 4mm8A-4gk9A:
undetectable
4mm8A-4gk9A:
18.44
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1


(Mycolicibacterium
thermoresistibile)
PF00082
(Peptidase_S8)
5 VAL A  90
ALA A  89
GLY A 133
ASP A  92
THR A 127
None
1.17A 4mm8A-4hvlA:
undetectable
4mm8A-4hvlA:
20.86
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.
4k2h INTRACELLULAR
PROTEASE/AMIDASE


(Salmonella
enterica)
PF01965
(DJ-1_PfpI)
5 VAL A 122
TYR A 136
GLY A 154
SER A 104
ASP A 138
None
1.03A 4mm8A-4k2hA:
undetectable
4mm8A-4k2hA:
17.62
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1


(Mycolicibacterium
smegmatis)
PF00082
(Peptidase_S8)
5 VAL A  90
ALA A  89
GLY A 133
ASP A  92
THR A 127
None
1.23A 4mm8A-4kpgA:
undetectable
4mm8A-4kpgA:
21.16
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.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1


(Vibrio cholerae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 ASP A 182
VAL A 214
ALA A 215
GLY A 186
GLY A 304
None
None
None
None
SCY  A 112 ( 3.3A)
1.08A 4mm8A-4nhdA:
undetectable
4mm8A-4nhdA:
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.
4psp ALPHA-FUCOSIDASE
GH29


(Fusarium
graminearum)
PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C)
5 ASP A 303
VAL A 167
ALA A 120
TYR A  32
GLY A  30
GOL  A 622 (-2.6A)
None
None
None
None
1.16A 4mm8A-4pspA:
undetectable
4mm8A-4pspA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV


(Bacteroides
ovatus)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 VAL A 517
TYR A 518
GLY A 572
SER A 603
GLY A 606
None
PEG  A 801 ( 4.0A)
None
None
None
1.06A 4mm8A-4q1vA:
undetectable
4mm8A-4q1vA:
21.35
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN


(Haemophilus
influenzae)
PF05860
(Haemagg_act)
5 ASP A 484
GLY A 592
PHE A 593
ASP A 619
THR A 622
None
1.11A 4mm8A-4rt6A:
undetectable
4mm8A-4rt6A:
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE


(Homo sapiens)
PF00365
(PFK)
5 VAL A  43
GLY A 172
SER A 323
GLY A 326
THR A  31
None
1.17A 4mm8A-4u1rA:
undetectable
4mm8A-4u1rA:
23.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
5 ASP A  46
GLY A 322
PHE A 325
SER A 422
GLY A 425
41U  A 605 ( 3.3A)
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
None
41U  A 605 ( 3.7A)
0.99A 4mm8A-4xnuA:
42.2
4mm8A-4xnuA:
30.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
7 ASP A  46
VAL A 120
TYR A 123
TYR A 124
GLY A 322
SER A 422
GLY A 425
41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
None
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
None
41U  A 605 ( 3.7A)
0.80A 4mm8A-4xnuA:
42.2
4mm8A-4xnuA:
30.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
7 ASP A  46
VAL A 120
TYR A 123
TYR A 124
SER A 422
GLY A 425
ASP A 475
41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
None
41U  A 605 ( 3.8A)
None
41U  A 605 ( 3.7A)
None
0.94A 4mm8A-4xnuA:
42.2
4mm8A-4xnuA:
30.62
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.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5


(Bos taurus)
PF00083
(Sugar_tr)
5 VAL D  36
ALA D  37
TYR D 298
TYR D 297
GLY D 173
None
0.88A 4mm8A-4yb9D:
undetectable
4mm8A-4yb9D:
25.18
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.
4yt9 PEPTIDYLARGININE
DEIMINASE


(Porphyromonas
gingivalis)
PF04371
(PAD_porph)
5 VAL A  93
ALA A  94
PHE A 118
SER A  97
THR A  91
None
1.19A 4mm8A-4yt9A:
undetectable
4mm8A-4yt9A:
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B


(Pseudomonas
putida)
PF12706
(Lactamase_B_2)
5 ASP A  92
GLY A  13
SER A  41
GLY A   7
THR A 222
None
1.09A 4mm8A-4z5yA:
undetectable
4mm8A-4z5yA:
20.34
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.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B


(Pseudomonas
putida)
PF12706
(Lactamase_B_2)
5 GLY A  12
SER A  41
GLY A   7
ASP A 220
THR A 222
None
1.12A 4mm8A-4z5yA:
undetectable
4mm8A-4z5yA:
20.34
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.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B


(Methylobacterium
extorquens)
PF12706
(Lactamase_B_2)
6 ASP A  92
GLY A  13
SER A  41
GLY A   7
ASP A 216
THR A 218
ZN  A 302 (-2.3A)
None
None
None
None
None
1.38A 4mm8A-4z7rA:
undetectable
4mm8A-4z7rA:
22.20
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.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B


(Methylobacterium
extorquens)
PF12706
(Lactamase_B_2)
5 GLY A  12
SER A  41
GLY A   7
ASP A 216
THR A 218
None
1.13A 4mm8A-4z7rA:
undetectable
4mm8A-4z7rA:
22.20
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum)
PF07715
(Plug)
5 TYR A 409
GLY A 333
SER A 156
GLY A 154
ASP A 374
None
1.14A 4mm8A-4zgvA:
undetectable
4mm8A-4zgvA:
19.77
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.
5ab4 SCP2-THIOLASE LIKE
PROTEIN


(Trypanosoma
brucei)
no annotation 5 VAL A 216
ALA A 215
GLY A  10
SER A  29
THR A 366
None
1.22A 4mm8A-5ab4A:
undetectable
4mm8A-5ab4A:
23.33
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.
5fml PA SUBUNIT OF
INFLUENZA B
POLYMERASE
PB2 SUBUNIT OF
INFLUENZA B
POLYMERASE


(Influenza B
virus)
PF00603
(Flu_PA)
no annotation
5 TYR B  46
ALA B  88
GLY A 754
GLY B  82
THR A 761
None
0.94A 4mm8A-5fmlB:
undetectable
4mm8A-5fmlB:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
5 VAL C 424
ALA C 421
GLY C 195
GLY C 419
ASP C 434
None
1.01A 4mm8A-5fseC:
undetectable
4mm8A-5fseC:
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.
5ftz CHITIN BINDING
PROTEIN


(Streptomyces
lividans)
PF03067
(LPMO_10)
5 VAL A 183
ALA A 182
GLY A  71
ASP A 124
THR A 185
None
1.18A 4mm8A-5ftzA:
undetectable
4mm8A-5ftzA:
15.50
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.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis)
PF13354
(Beta-lactamase2)
5 ASP A 276
ALA A 283
GLY A 244
SER A 281
ASP A 233
None
1.15A 4mm8A-5gl9A:
undetectable
4mm8A-5gl9A:
18.90
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE


(Brucella ovis)
PF13561
(adh_short_C2)
5 VAL A 151
ALA A 152
PHE A 214
SER A 156
GLY A 158
None
1.14A 4mm8A-5ha5A:
undetectable
4mm8A-5ha5A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
5 TYR A 149
VAL A 180
ALA A 160
SER A 151
GLY A 162
None
1.11A 4mm8A-5ho9A:
undetectable
4mm8A-5ho9A:
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.
5huo NICOTINATE-NUCLEOTID
E DIPHOSPHORYLASE
(CARBOXYLATING)


(Streptococcus
pyogenes)
PF01729
(QRPTase_C)
PF02749
(QRPTase_N)
5 ASP A  82
ALA A 152
TYR A 151
ASP A   7
THR A  58
None
1.18A 4mm8A-5huoA:
undetectable
4mm8A-5huoA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER


(Homo sapiens)
PF00209
(SNF)
8 TYR A  95
ASP A  98
ALA A 173
TYR A 175
TYR A 176
GLY A 338
GLY A 442
THR A 497
None
0.91A 4mm8A-5i6zA:
43.8
4mm8A-5i6zA:
32.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER


(Homo sapiens)
PF00209
(SNF)
8 TYR A  95
ASP A  98
TYR A 175
TYR A 176
GLY A 338
SER A 439
GLY A 442
THR A 497
None
1.11A 4mm8A-5i6zA:
43.8
4mm8A-5i6zA:
32.24
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.
5jen ANTI-SIGMA-V FACTOR
RSIV
LYSOZYME C


(Bacillus
subtilis;
Gallus gallus)
PF00062
(Lys)
PF11738
(DUF3298)
PF13739
(DUF4163)
5 ASP A 253
VAL B 109
ALA B 110
GLY A 260
THR A 164
NA  A 400 ( 3.9A)
None
None
NA  A 401 ( 4.7A)
None
1.04A 4mm8A-5jenA:
undetectable
4mm8A-5jenA:
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.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2


(Rattus
norvegicus)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
5 VAL A 396
ALA A 472
GLY A 239
GLY A 470
THR A 394
None
1.13A 4mm8A-5l1bA:
undetectable
4mm8A-5l1bA:
21.00
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN


(Chaetomium
thermophilum)
PF06427
(UDP-g_GGTase)
5 VAL A1289
TYR A1263
GLY A1056
GLY A1375
THR A1072
None
1.19A 4mm8A-5mzoA:
undetectable
4mm8A-5mzoA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n40 PUTATIVE INVASIN

(Yersinia
pseudotuberculosis)
PF05689
(DUF823)
PF09134
(Invasin_D3)
5 VAL A2528
ALA A2492
GLY A2444
GLY A2532
THR A2537
None
1.01A 4mm8A-5n40A:
undetectable
4mm8A-5n40A:
19.62
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa)
no annotation 5 ALA A 184
GLY A 105
PHE A 157
GLY A 142
THR A 171
None
1.21A 4mm8A-5nbsA:
undetectable
4mm8A-5nbsA:
10.83
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.
5olj DIPEPTIDYL PEPTIDASE
IV


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 TYR A 511
GLY A 562
SER A 593
GLY A 596
ASP A 542
GOL  A 801 (-4.4A)
None
GOL  A 801 (-2.5A)
None
None
1.16A 4mm8A-5oljA:
undetectable
4mm8A-5oljA:
21.96
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.
5vbu CYTOCHROME P450
21-HYDROXYLASE


(Homo sapiens)
PF00067
(p450)
5 VAL A 360
ALA A 363
GLY A 431
GLY A 423
THR A 296
HEM  A 501 ( 4.3A)
HEM  A 501 ( 3.7A)
HEM  A 501 (-3.6A)
HEM  A 501 ( 4.4A)
HEM  A 501 (-3.7A)
1.21A 4mm8A-5vbuA:
undetectable
4mm8A-5vbuA:
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.
5w0x TIP41-LIKE PROTEIN

(Mus musculus)
no annotation 5 ASP A 115
VAL A 248
ALA A 247
TYR A 214
SER A 216
None
1.11A 4mm8A-5w0xA:
undetectable
4mm8A-5w0xA:
8.51
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E


(Staphylococcus
aureus)
no annotation 5 VAL A  20
GLY A 126
SER A 267
GLY A 270
THR A   8
None
1.16A 4mm8A-5xoeA:
undetectable
4mm8A-5xoeA:
10.27
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.
5zl9 CHITINASE AB

(Serratia
marcescens)
no annotation 5 ALA A 444
GLY A 527
SER A 540
GLY A 442
ASP A 519
None
None
None
None
GOL  A 701 (-4.3A)
1.06A 4mm8A-5zl9A:
undetectable
4mm8A-5zl9A:
10.90
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.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE


(Thermotoga
maritima)
no annotation 5 VAL B 239
ALA B 238
GLY B 178
PHE B 164
SER B 234
None
None
PEG  B 402 (-3.4A)
PEG  B 402 ( 4.8A)
None
1.21A 4mm8A-6fpeB:
undetectable
4mm8A-6fpeB:
9.27
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.
6g3d ARGININOSUCCINATE
LYASE


(Chelativorans
sp. BNC1)
no annotation 5 VAL A 232
ALA A 233
TYR A 320
SER A 321
ASP A 114
None
1.13A 4mm8A-6g3dA:
undetectable
4mm8A-6g3dA:
10.31
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE


(Paenibacillus
sp. YM1)
no annotation 5 VAL A 660
TYR A 652
GLY A 721
SER A 537
GLY A 535
None
1.04A 4mm8A-6gh2A:
undetectable
4mm8A-6gh2A:
11.22