SIMILAR PATTERNS OF AMINO ACIDS FOR 2HA2_A_SCKA901_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 TYR A  72
ASP A  74
TRP A  86
TYR A 124
TRP A 286
HIS A 447
 None
 0.60A 2ha2A-1b41A:
63.0		 2ha2A-1b41A:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		7 TYR A  72
ASP A  74
TRP A  86
TYR A 124
TYR A 337
TYR A 341
HIS A 447
 None
 0.75A 2ha2A-1b41A:
63.0		 2ha2A-1b41A:
88.50
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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 TYR A 137
ASP A 167
TYR A 131
TYR A 159
 None
 1.43A 2ha2A-1bvuA:
3.6		 2ha2A-1bvuA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		8 TYR A  72
ASP A  74
TRP A  86
TYR A 124
TRP A 286
TYR A 337
TYR A 341
HIS A 447
 None
 0.41A 2ha2A-1c2oA:
63.7		 2ha2A-1c2oA:
100.00
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 ASP A 147
TYR A 154
TRP A 351
TYR A 429
 None
None
SO4  A 696 (-4.2A)
None
 1.46A 2ha2A-1g0dA:
undetectable		 2ha2A-1g0dA:
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 TRP A  37
TYR A  33
TRP A 208
TYR A 338
 None
 1.10A 2ha2A-1gpmA:
undetectable		 2ha2A-1gpmA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		6 ASP A  72
TRP A  84
TYR A 121
TRP A 279
TYR A 334
HIS A 440
 None
SAF  A1998 (-3.8A)
None
None
None
EMM  A1999 ( 3.8A)
 0.76A 2ha2A-1gqrA:
60.6		 2ha2A-1gqrA:
58.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		6 TYR A  70
ASP A  72
TRP A  84
TYR A 121
TRP A 279
TYR A 334
 None
None
SAF  A1998 (-3.8A)
None
None
None
 0.42A 2ha2A-1gqrA:
60.6		 2ha2A-1gqrA:
58.56
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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 TYR A 231
ASP A 255
TYR A 209
HIS A 259
 None
 0.97A 2ha2A-1idjA:
undetectable		 2ha2A-1idjA:
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		4 TYR Q 228
ASP Q 189
TYR Q 213
HIS Q 251
 None
 1.18A 2ha2A-1oh2Q:
undetectable		 2ha2A-1oh2Q:
21.54
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 TYR A 288
TYR A 378
TYR A 264
HIS A 245
 None
 1.23A 2ha2A-1qvbA:
undetectable		 2ha2A-1qvbA:
23.31
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.
1to9 THI-4 PROTEIN

(Bacillus
subtilis) 		PF03070
(TENA_THI-4) 		4 TYR B  47
ASP B  44
TYR B 139
HIS B  21
 HMH  B 302 (-3.7A)
HMH  B 302 (-2.8A)
HMH  B 302 (-3.5A)
None
 1.37A 2ha2A-1to9B:
undetectable		 2ha2A-1to9B:
20.04
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.
1vqv THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 TYR A 247
TYR A 243
TYR A 174
HIS A 185
 None
 1.47A 2ha2A-1vqvA:
undetectable		 2ha2A-1vqvA:
18.00
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.
2a1x PHYTANOYL-COA
DIOXYGENASE

(Homo sapiens) 		PF05721
(PhyH) 		4 TYR A  46
ASP A 187
TYR A  61
HIS A 281
 None
 1.47A 2ha2A-2a1xA:
undetectable		 2ha2A-2a1xA:
19.15
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 ASP A 541
TYR A 347
TYR A 533
HIS A 530
 None
 1.42A 2ha2A-2ddhA:
undetectable		 2ha2A-2ddhA:
21.74
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		4 TYR A 210
ASP A 212
TYR A 381
TYR A 379
 None
 1.47A 2ha2A-2epgA:
undetectable		 2ha2A-2epgA:
24.14
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.
2gm8 TENA HOMOLOG/THI-4
THIAMINASE

(Pyrobaculum
aerophilum) 		PF03070
(TENA_THI-4) 		4 TYR A  46
ASP A  43
TYR A 138
HIS A  20
 HMH  A 301 (-3.6A)
HMH  A 301 (-2.6A)
HMH  A 301 (-3.3A)
None
 1.37A 2ha2A-2gm8A:
undetectable		 2ha2A-2gm8A:
17.86
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.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		4 TYR A 561
ASP A 118
TYR A 557
HIS A 372
 None
 1.40A 2ha2A-2h4tA:
undetectable		 2ha2A-2h4tA:
22.39
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 TYR A1232
TYR A1235
TYR A1715
TYR A1706
 None
 1.34A 2ha2A-2pffA:
undetectable		 2ha2A-2pffA:
13.75
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 TYR A 445
ASP A 442
TRP A  24
HIS A 496
 None
None
FAD  A1587 (-4.6A)
None
 1.38A 2ha2A-2uuuA:
undetectable		 2ha2A-2uuuA:
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.
2vwk DNA POLYMERASE

(Thermococcus
gorgonarius) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 731
TRP A 615
TYR A 732
TYR A 701
 None
 1.12A 2ha2A-2vwkA:
undetectable		 2ha2A-2vwkA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 TYR A 307
TRP A 278
TYR A   9
HIS A 297
 None
 1.50A 2ha2A-2y35A:
undetectable		 2ha2A-2y35A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfs LEVANSUCRASE

(Lactobacillus
johnsonii) 		PF02435
(Glyco_hydro_68) 		4 ASP A 431
TYR A 535
TYR A 437
HIS A 427
 None
 1.42A 2ha2A-2yfsA:
undetectable		 2ha2A-2yfsA:
20.57
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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		4 ASP A   9
TRP A  25
TYR A 181
TYR A  12
 None
 1.41A 2ha2A-2zbmA:
undetectable		 2ha2A-2zbmA:
19.67
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASP A 910
TRP A 636
TYR A 902
HIS A 835
 None
 1.32A 2ha2A-2zxqA:
2.9		 2ha2A-2zxqA:
16.41
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.
3b2y METALLOPEPTIDASE
CONTAINING
CO-CATALYTIC
METALLOACTIVE SITE

(Shewanella
denitrificans) 		PF04952
(AstE_AspA) 		4 ASP A 171
TYR A 180
TYR A 178
HIS A 224
 None
 1.29A 2ha2A-3b2yA:
undetectable		 2ha2A-3b2yA:
20.75
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		4 TYR A 395
ASP A 393
TYR A 352
HIS A 357
 None
 1.31A 2ha2A-3c9fA:
undetectable		 2ha2A-3c9fA:
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.
3c9r THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 TYR A 247
TYR A 243
TYR A 174
HIS A 185
 None
 1.46A 2ha2A-3c9rA:
undetectable		 2ha2A-3c9rA:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TYR A 652
TRP A 714
TYR A 649
HIS A 607
 None
None
None
ZN  A 771 ( 3.4A)
 1.36A 2ha2A-3dwbA:
undetectable		 2ha2A-3dwbA:
21.22
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		4 TYR A 210
ASP A 179
TYR A 213
TRP A 224
 None
 1.38A 2ha2A-3gs6A:
undetectable		 2ha2A-3gs6A:
21.17
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.
3gxa OUTER MEMBRANE
LIPOPROTEIN GNA1946

(Neisseria
meningitidis) 		PF03180
(Lipoprotein_9) 		4 ASP A  80
TYR A 216
TYR A 103
HIS A 100
 None
None
MET  A 296 (-3.7A)
MET  A 296 (-3.6A)
 1.40A 2ha2A-3gxaA:
undetectable		 2ha2A-3gxaA:
19.82
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TYR C 181
ASP C 182
TYR B1062
TYR C 192
 None
 1.23A 2ha2A-3h0gC:
undetectable		 2ha2A-3h0gC:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A1006
TRP A 624
TYR A 616
TYR A1017
 None
 1.40A 2ha2A-3ho8A:
3.1		 2ha2A-3ho8A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		4 ASP A 387
TRP A 384
TYR A  60
HIS A  59
 None
 1.00A 2ha2A-3iacA:
undetectable		 2ha2A-3iacA:
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		4 ASP A 811
TRP A 895
TYR A 655
TYR A 719
 None
 1.25A 2ha2A-3ibjA:
2.1		 2ha2A-3ibjA:
20.38
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.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 TYR A  47
ASP A  44
TYR A 139
HIS A  21
 None
 1.38A 2ha2A-3ibxA:
undetectable		 2ha2A-3ibxA:
17.68
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.
3ir1 OUTER MEMBRANE
LIPOPROTEIN GNA1946

(Neisseria
meningitidis) 		PF03180
(Lipoprotein_9) 		4 ASP A  80
TYR A 216
TYR A 103
HIS A 100
 None
None
MET  A 600 (-3.6A)
MET  A 600 (-3.6A)
 1.42A 2ha2A-3ir1A:
undetectable		 2ha2A-3ir1A:
18.33
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.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 TYR A 298
TYR A 297
TYR A  51
HIS A  77
 None
LAC  A 399 ( 4.1A)
PPI  A 453 ( 4.7A)
None
 1.30A 2ha2A-3kb6A:
undetectable		 2ha2A-3kb6A:
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		4 TYR A 125
ASP A  16
TYR A 124
HIS A  54
 None
 1.18A 2ha2A-3khzA:
undetectable		 2ha2A-3khzA:
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.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 ASP A 113
TRP A 164
TYR A 167
HIS A 143
 None
 1.43A 2ha2A-3l2jA:
undetectable		 2ha2A-3l2jA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		4 TYR A  63
ASP A 100
TYR A  64
HIS A 174
 ADE  A 328 (-4.0A)
None
None
None
 1.47A 2ha2A-3paoA:
undetectable		 2ha2A-3paoA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 619
ASP A 621
TYR A 626
TRP A 702
 None
 0.92A 2ha2A-3sunA:
undetectable		 2ha2A-3sunA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbj ACTIBIND

(Aspergillus
niger) 		PF00445
(Ribonuclease_T2) 		4 TYR A 121
ASP A 120
TRP A 118
HIS A 138
 EDO  A 307 ( 3.7A)
None
None
PO4  A 304 (-3.9A)
 1.37A 2ha2A-3tbjA:
undetectable		 2ha2A-3tbjA:
17.83
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.
3tqw METHIONINE-BINDING
PROTEIN

(Coxiella
burnetii) 		PF03180
(Lipoprotein_9) 		4 ASP A  37
TYR A 172
TYR A  60
HIS A  57
 None
None
MET  A 238 (-3.7A)
MET  A 238 (-3.5A)
 1.48A 2ha2A-3tqwA:
undetectable		 2ha2A-3tqwA:
17.86
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.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		4 TYR A 167
ASP A 385
TYR A 166
TYR A  21
 None
 1.38A 2ha2A-3vqrA:
undetectable		 2ha2A-3vqrA:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TYR A 538
TRP A 604
TYR A 535
HIS A 493
 None
None
None
ZN  A1664 ( 3.4A)
 1.33A 2ha2A-3zukA:
undetectable		 2ha2A-3zukA:
22.50
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.
4ak5 ANHYDRO-ALPHA-L-GALA
CTOSIDASE

(Bacteroides
plebeius) 		PF04616
(Glyco_hydro_43) 		4 TYR A 251
ASP A 332
TYR A 256
TYR A 294
 None
 1.44A 2ha2A-4ak5A:
undetectable		 2ha2A-4ak5A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 TYR A 237
TYR A 256
TYR A 290
HIS A 453
 EDO  A1989 (-4.5A)
EDO  A2007 (-4.8A)
None
None
 1.35A 2ha2A-4cu8A:
undetectable		 2ha2A-4cu8A:
19.82
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.
4got METHIONINE-BINDING
LIPOPROTEIN METQ

(Bacillus
subtilis) 		PF03180
(Lipoprotein_9) 		4 ASP A  67
TYR A 206
TYR A  90
HIS A  87
 None
 1.36A 2ha2A-4gotA:
undetectable		 2ha2A-4gotA:
20.28
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.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila) 		PF02614
(UxaC) 		4 TYR A 372
ASP A 374
TYR A 371
TYR A  46
 None
ZN  A 501 (-2.6A)
None
GOL  A 503 (-4.4A)
 1.07A 2ha2A-4i6vA:
undetectable		 2ha2A-4i6vA:
22.87
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.
4ib2 PUTATIVE LIPOPROTEIN

([Ruminococcus]
gnavus) 		PF03180
(Lipoprotein_9) 		4 ASP A  73
TYR A 208
TYR A  96
HIS A  93
 None
CL  A 301 (-4.6A)
MET  A 305 (-3.7A)
MET  A 305 (-3.5A)
 1.39A 2ha2A-4ib2A:
undetectable		 2ha2A-4ib2A:
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 TYR A  21
ASP A  69
TYR A  18
TYR A  78
 None
 1.39A 2ha2A-4idaA:
undetectable		 2ha2A-4idaA:
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.
4k3f PROBABLE
TONB-DEPENDENT
RECEPTOR

(Pseudomonas
aeruginosa) 		PF03180
(Lipoprotein_9) 		4 ASP A  59
TYR A 194
TYR A  82
HIS A  79
 None
 1.48A 2ha2A-4k3fA:
undetectable		 2ha2A-4k3fA:
18.23
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.
4nf7 ENDO-1,4-BETA-GLUCAN
ASE CEL5C

(Butyrivibrio
proteoclasticus) 		PF00150
(Cellulase) 		4 ASP A 384
TRP A 382
TYR A 360
HIS A 372
 None
 1.38A 2ha2A-4nf7A:
undetectable		 2ha2A-4nf7A:
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.
4nvr PUTATIVE
ACYLTRANSFERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 TYR A 223
ASP A 222
TRP A 162
HIS A 123
 None
 1.34A 2ha2A-4nvrA:
13.5		 2ha2A-4nvrA:
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.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		4 ASP A 236
TYR A 126
TYR A 138
TYR A 139
 None
 1.47A 2ha2A-4on1A:
undetectable		 2ha2A-4on1A:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 ASP A  72
TRP A  84
TYR A 121
TRP A 279
TYR A 334
HIS A 440
 None
 0.57A 2ha2A-4qwwA:
61.9		 2ha2A-4qwwA:
64.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 ASP A  72
TRP A  84
TYR A 121
TYR A 330
TYR A 334
HIS A 440
 None
 0.67A 2ha2A-4qwwA:
61.9		 2ha2A-4qwwA:
64.21
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 TYR A 486
ASP A 455
TYR A 483
HIS A 425
 None
 1.47A 2ha2A-4rbnA:
4.6		 2ha2A-4rbnA:
21.31
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.
4u13 PUTATIVE POLYKETIDE
CYCLASE SMA1630

(Sinorhizobium
meliloti) 		PF12680
(SnoaL_2) 		4 TYR A  10
ASP A  14
TYR A  91
TYR A  58
 None
 1.48A 2ha2A-4u13A:
undetectable		 2ha2A-4u13A:
13.33
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		5 TYR A 207
ASP A 165
TYR A 204
TYR A 349
HIS A 192
 None
TRS  A 501 (-3.1A)
None
TRS  A 501 (-4.3A)
None
 1.27A 2ha2A-4wvaA:
undetectable		 2ha2A-4wvaA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 ASP A  70
TRP A  82
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.45A 2ha2A-4xiiA:
61.4		 2ha2A-4xiiA:
52.30
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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		4 ASP A 204
TYR A 214
TYR A 306
HIS A 277
 None
 1.42A 2ha2A-4xnvA:
undetectable		 2ha2A-4xnvA:
22.01
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 TYR A 146
ASP A 147
TYR A 316
TYR A 120
 None
 1.24A 2ha2A-4y4vA:
undetectable		 2ha2A-4y4vA:
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.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		4 ASP X  68
TYR X 205
TYR X  91
HIS X  88
 None
None
MET  X 301 (-2.8A)
MET  X 301 (-3.4A)
 1.36A 2ha2A-4yahX:
undetectable		 2ha2A-4yahX:
17.76
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 TYR A 768
ASP A 767
TYR A 959
HIS A 967
 None
 1.29A 2ha2A-5dotA:
undetectable		 2ha2A-5dotA:
16.92
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TYR A 675
ASP A 644
TRP A 648
TRP A 695
 None
 1.30A 2ha2A-5f7cA:
undetectable		 2ha2A-5f7cA:
22.32
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ASP A 661
TRP A 665
TRP A 699
TYR A 693
 None
 1.33A 2ha2A-5f7sA:
undetectable		 2ha2A-5f7sA:
21.84
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 TYR A 184
TYR A 147
TYR A 261
HIS A 144
 None
 1.47A 2ha2A-5gslA:
undetectable		 2ha2A-5gslA:
22.01
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.
5ibx TRIOSEPHOSPHATE
ISOMERASE

(Streptococcus
pneumoniae) 		PF00121
(TIM) 		4 TYR A 211
ASP A 183
TYR A 167
TYR A 135
 None
 1.16A 2ha2A-5ibxA:
undetectable		 2ha2A-5ibxA:
17.61
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.
5iva LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04390
(LptE)
PF04453
(OstA_C) 		4 TYR A 194
ASP B 119
TYR A 171
TYR B 108
 None
 1.39A 2ha2A-5ivaA:
undetectable		 2ha2A-5ivaA:
24.38
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.
5oie -

(-) 		no annotation 4 TYR A 225
ASP A 182
TYR A 222
TYR A 375
 None
SER  A 507 (-3.3A)
None
None
 1.16A 2ha2A-5oieA:
undetectable		 2ha2A-5oieA:
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.
5oie -

(-) 		no annotation 4 TYR A 225
TRP A  40
TYR A 222
TYR A 375
 None
GOL  A 501 ( 4.0A)
None
None
 1.19A 2ha2A-5oieA:
undetectable		 2ha2A-5oieA:
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		4 TYR A 219
ASP A 218
TRP A 156
HIS A 229
 FAH  A 401 (-4.5A)
None
FAH  A 401 (-4.2A)
None
 1.17A 2ha2A-5swnA:
12.9		 2ha2A-5swnA:
20.40
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.
5ta9 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF04616
(Glyco_hydro_43) 		4 TYR A 251
ASP A 332
TYR A 256
TYR A 294
 None
 1.38A 2ha2A-5ta9A:
undetectable		 2ha2A-5ta9A:
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.
5tr1 CHLORIDE CHANNEL
PROTEIN
MONOCLONAL ANTIBODY,
FAB FRAGMENT, HEAVY
CHAIN

(Bos taurus;
Mus musculus) 		PF00654
(Voltage_CLC)
PF07686
(V-set) 		4 TYR H  54
ASP H  32
TYR A 392
HIS A 393
 None
 1.50A 2ha2A-5tr1H:
undetectable		 2ha2A-5tr1H:
11.92
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.
5vh1 GAMMA S-CRYSTALLIN

(Gallus gallus) 		PF00030
(Crystall) 		4 TYR A 139
TRP A  72
TYR A  66
HIS A  71
 None
 1.49A 2ha2A-5vh1A:
undetectable		 2ha2A-5vh1A:
14.92
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.
5x0y TRANSCRIPTION
REGULATORY PROTEIN
SNF2

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC) 		4 TYR O 918
ASP O 917
TYR O 914
HIS O 913
 None
 1.34A 2ha2A-5x0yO:
undetectable		 2ha2A-5x0yO:
21.13
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		4 TYR A  53
ASP A 268
TRP A 271
TYR A 142
 None
 1.24A 2ha2A-5x6sA:
14.1		 2ha2A-5x6sA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 TYR A 362
TYR A 359
TYR A 325
HIS A 329
 None
G  B  43 ( 4.8A)
U  B  44 ( 3.6A)
U  B  44 ( 4.4A)
 1.40A 2ha2A-5xblA:
undetectable		 2ha2A-5xblA:
16.50
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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		4 ASP A 756
TRP A 730
TYR A 714
HIS A 737
 None
 1.29A 2ha2A-5xsyA:
undetectable		 2ha2A-5xsyA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 ASP A 233
TRP A 245
TYR A 282
TRP A 441
TYR A 489
TYR A 493
HIS A 600
 None
SEB  A 360 ( 4.2A)
None
None
None
None
SEB  A 360 ( 4.2A)
 0.75A 2ha2A-5ydjA:
26.1		 2ha2A-5ydjA:
12.28
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 TYR A 488
TYR A 631
TRP A 485
HIS A 614
 None
 1.11A 2ha2A-5z0uA:
undetectable		 2ha2A-5z0uA:
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.
6a91 -

(-) 		no annotation 4 ASP A 708
TRP A 682
TYR A 667
HIS A 689
 None
 1.48A 2ha2A-6a91A:
undetectable		 2ha2A-6a91A:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 ASP A 233
TRP A 245
TYR A 282
TRP A 441
TYR A 489
TYR A 493
HIS A 600
 None
 0.81A 2ha2A-6arxA:
56.9		 2ha2A-6arxA:
9.77
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 4 TRP A 275
TRP A 240
TYR A 399
HIS A 398
 None
 1.32A 2ha2A-6frlA:
undetectable		 2ha2A-6frlA:
9.41