SIMILAR PATTERNS OF AMINO ACIDS FOR 3OU6_A_SAMA300_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.
1rmg RHAMNOGALACTURONASE
A


(Aspergillus
aculeatus)
PF00295
(Glyco_hydro_28)
5 ALA A 148
GLY A 114
GLY A 170
LEU A 176
ALA A 127
None
1.04A 3ou6A-1rmgA:
undetectable
3ou6A-1rmgA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME


(Arabidopsis
thaliana)
PF01946
(Thi4)
5 GLY A 240
GLY A  48
SER A  49
MET A 259
ALA A 195
AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.4A)
AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.3A)
None
1.10A 3ou6A-1rp0A:
2.6
3ou6A-1rp0A:
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.
1sbp SULFATE-BINDING
PROTEIN


(Salmonella
enterica)
PF13531
(SBP_bac_11)
5 ALA A 173
GLY A 132
GLY A  44
SER A  45
ALA A 191
SO4  A 311 (-3.4A)
SO4  A 311 (-3.1A)
SO4  A 311 (-3.5A)
SO4  A 311 (-4.4A)
None
0.92A 3ou6A-1sbpA:
undetectable
3ou6A-1sbpA:
20.43
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.
1sbp SULFATE-BINDING
PROTEIN


(Salmonella
enterica)
PF13531
(SBP_bac_11)
5 TYR A  10
ALA A 173
GLY A 132
GLY A  44
ALA A 191
SO4  A 311 (-4.8A)
SO4  A 311 (-3.4A)
SO4  A 311 (-3.1A)
SO4  A 311 (-3.5A)
None
1.10A 3ou6A-1sbpA:
undetectable
3ou6A-1sbpA:
20.43
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.
1tlq HYPOTHETICAL PROTEIN
YPJQ


(Bacillus
subtilis)
PF04608
(PgpA)
6 ALA A 152
GLY A 114
GLY A 119
ASP A 122
LEU A 121
ALA A 154
None
1.36A 3ou6A-1tlqA:
undetectable
3ou6A-1tlqA:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 ALA B 232
GLY B 185
GLY B 336
SER B 335
ALA B  82
None
1.06A 3ou6A-1tqyB:
undetectable
3ou6A-1tqyB:
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.
1v0z NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 ALA A 360
GLY A 370
MET A 383
ASP A 363
LEU A 362
None
1.10A 3ou6A-1v0zA:
undetectable
3ou6A-1v0zA:
20.66
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226


(Pyrococcus
horikoshii)
PF13649
(Methyltransf_25)
5 ALA A  46
GLY A  48
SER A  69
MET A  72
ASP A  93
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
0.64A 3ou6A-1ve3A:
17.3
3ou6A-1ve3A:
27.08
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.
1w1k VANILLYL-ALCOHOL
OXIDASE


(Penicillium
simplicissimum)
PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C)
5 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
None
None
FAD  A1561 ( 4.5A)
None
None
1.01A 3ou6A-1w1kA:
undetectable
3ou6A-1w1kA:
18.48
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.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE


(Pyrococcus
horikoshii)
PF13649
(Methyltransf_25)
5 TYR A   5
ALA A  49
GLY A  51
MET A  75
ASP A  96
SAH  A1001 (-3.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.1A)
SAH  A1001 (-4.4A)
SAH  A1001 (-3.3A)
0.96A 3ou6A-1wznA:
19.0
3ou6A-1wznA:
28.69
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE


(Clostridium
acetobutylicum)
PF13649
(Methyltransf_25)
5 ALA A  46
GLY A  48
SER A  69
MET A  72
ASP A  93
None
0.64A 3ou6A-1y8cA:
18.2
3ou6A-1y8cA:
22.52
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.
1zbs HYPOTHETICAL PROTEIN
PG1100


(Porphyromonas
gingivalis)
PF01869
(BcrAD_BadFG)
5 LEU A 274
ALA A  95
GLY A  67
GLY A 100
ALA A  75
None
1.14A 3ou6A-1zbsA:
undetectable
3ou6A-1zbsA:
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.
2ak3 ADENYLATE KINASE
ISOENZYME-3


(Bos taurus)
PF00406
(ADK)
PF05191
(ADK_lid)
5 LEU A  39
GLY A  89
SER A  35
LEU A  77
ALA A  97
None
AMP  A 226 (-4.7A)
None
None
None
1.14A 3ou6A-2ak3A:
undetectable
3ou6A-2ak3A:
21.52
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN


(Thermotoga
maritima)
PF08241
(Methyltransf_11)
5 TYR A   9
GLY A  52
TRP A  56
SER A  73
MET A  76
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
0.73A 3ou6A-2avnA:
19.2
3ou6A-2avnA:
26.29
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.
2ecf DIPEPTIDYL PEPTIDASE
IV


(Stenotrophomonas
maltophilia)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 LEU A 620
ALA A 632
GLY A 608
GLY A 630
ALA A 634
None
1.00A 3ou6A-2ecfA:
undetectable
3ou6A-2ecfA:
17.98
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens)
PF05153
(MIOX)
5 LEU A  79
ALA A 130
GLY A 133
LEU A  83
ALA A 138
None
1.11A 3ou6A-2ibnA:
undetectable
3ou6A-2ibnA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jpd DNA EXCISION REPAIR
PROTEIN ERCC-1


(Homo sapiens)
PF03834
(Rad10)
5 LEU A 209
TYR A 212
GLY A 133
LEU A 139
ALA A 165
None
1.14A 3ou6A-2jpdA:
undetectable
3ou6A-2jpdA:
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.
2ox4 PUTATIVE MANDELATE
RACEMASE


(Zymomonas
mobilis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A  38
GLY A 290
GLY A  92
LEU A  53
ALA A  41
None
1.14A 3ou6A-2ox4A:
undetectable
3ou6A-2ox4A:
19.22
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE


(Thermus
thermophilus)
PF00701
(DHDPS)
5 LEU A  36
ALA A  84
GLY A  68
LEU A  92
ALA A  86
None
1.01A 3ou6A-2pcqA:
undetectable
3ou6A-2pcqA:
23.08
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.
2px0 FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHF


(Bacillus
subtilis)
PF00448
(SRP54)
5 LEU A 288
GLY A 187
GLY A 182
SER A 183
ALA A 193
None
GNP  A   1 ( 3.2A)
None
None
None
1.12A 3ou6A-2px0A:
undetectable
3ou6A-2px0A:
22.19
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Mycobacterium
tuberculosis)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 LEU A 308
TYR A 310
ALA A 113
GLY A 303
GLY A 305
None
None
None
None
DFD  A 760 (-3.6A)
1.10A 3ou6A-2qnyA:
undetectable
3ou6A-2qnyA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4


(Saccharopolyspora
erythraea)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
5 LEU A 206
ALA A 380
GLY A 228
GLY A 383
ALA A 154
None
1.11A 3ou6A-2qo3A:
undetectable
3ou6A-2qo3A:
13.91
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME


(Aeropyrum
pernix)
PF00326
(Peptidase_S9)
5 LEU A 455
ALA A 467
GLY A 443
GLY A 465
ALA A 469
None
0.84A 3ou6A-2qzpA:
2.6
3ou6A-2qzpA:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE


(Pseudomonas
syringae group
genomosp. 3)
PF04198
(Sugar-bind)
5 ALA A 296
GLY A 255
GLY A 300
LEU A 302
ALA A 292
None
1.10A 3ou6A-2r5fA:
undetectable
3ou6A-2r5fA:
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE


(Escherichia
coli)
PF01266
(DAO)
5 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
None
None
FAD  A1373 (-3.4A)
None
None
1.06A 3ou6A-2uzzA:
2.6
3ou6A-2uzzA:
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.
2weu TRYPTOPHAN
5-HALOGENASE


(Streptomyces
rugosporus)
PF04820
(Trp_halogenase)
5 LEU A 285
GLY A 292
GLY A  45
ASP A 171
ALA A 322
None
1.05A 3ou6A-2weuA:
undetectable
3ou6A-2weuA:
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT


(Methanosarcina
mazei)
PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
5 ALA A 378
GLY A 605
ASP A 582
LEU A 586
ALA A 627
None
1.05A 3ou6A-2xr1A:
undetectable
3ou6A-2xr1A:
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN


(Aeropyrum
pernix)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
5 LEU A  17
ALA A  30
GLY A  26
GLY A  43
ALA A  32
None
1.08A 3ou6A-2yv2A:
3.3
3ou6A-2yv2A:
20.33
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.
2z2n VIRGINIAMYCIN B
LYASE


(Staphylococcus
aureus)
no annotation 5 LEU A 196
ALA A 153
GLY A 149
SER A 150
LEU A 154
None
1.00A 3ou6A-2z2nA:
undetectable
3ou6A-2z2nA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2x TK-SUBTILISIN

(Thermococcus
kodakarensis)
PF00082
(Peptidase_S8)
5 GLY A 283
GLY A 385
ASP A 372
LEU A 373
ALA A 292
None
None
CA  A1001 (-3.1A)
None
None
0.88A 3ou6A-2z2xA:
2.3
3ou6A-2z2xA:
21.45
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.
2z2z TK-SUBTILISIN
PRECURSOR


(Thermococcus
kodakarensis)
PF00082
(Peptidase_S8)
5 GLY A 283
GLY A 385
ASP A 372
LEU A 373
ALA A 292
None
None
CA  A1006 (-2.8A)
None
None
0.83A 3ou6A-2z2zA:
undetectable
3ou6A-2z2zA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z37 CHITINASE

(Brassica juncea)
PF00182
(Glyco_hydro_19)
5 ALA A 289
GLY A 261
SER A 266
MET A 264
LEU A 282
None
1.04A 3ou6A-2z37A:
undetectable
3ou6A-2z37A:
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.
2z37 CHITINASE

(Brassica juncea)
PF00182
(Glyco_hydro_19)
5 TYR A 258
ALA A 289
SER A 266
MET A 264
LEU A 282
None
1.08A 3ou6A-2z37A:
undetectable
3ou6A-2z37A:
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum)
PF07940
(Hepar_II_III)
PF16332
(DUF4962)
5 ALA A 376
SER A 382
ASP A 387
LEU A 388
ALA A 318
None
1.06A 3ou6A-3aflA:
undetectable
3ou6A-3aflA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE


(Mesorhizobium
japonicum)
PF08241
(Methyltransf_11)
5 GLY A  52
SER A  74
MET A  77
ASP A  96
LEU A  97
None
0.75A 3ou6A-3bkwA:
17.0
3ou6A-3bkwA:
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.
3bxo N,N-DIMETHYLTRANSFER
ASE


(Streptomyces
venezuelae)
PF13649
(Methyltransf_25)
5 ALA A  46
GLY A  48
SER A  69
MET A  72
ASP A  89
SAM  A 238 (-3.2A)
SAM  A 238 ( 3.7A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.0A)
0.61A 3ou6A-3bxoA:
16.3
3ou6A-3bxoA:
25.69
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.
3c02 AQUAGLYCEROPORIN

(Plasmodium
falciparum)
PF00230
(MIP)
5 LEU A  69
ALA A  53
GLY A  51
GLY A  57
ALA A  30
GOL  A 663 (-4.1A)
None
None
None
None
1.06A 3ou6A-3c02A:
undetectable
3ou6A-3c02A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czx PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE


(Neisseria
meningitidis)
PF01520
(Amidase_3)
5 LEU A  60
ALA A 136
GLY A 140
LEU A 133
ALA A  91
None
1.10A 3ou6A-3czxA:
undetectable
3ou6A-3czxA:
19.81
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.
3d54 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 1


(Thermotoga
maritima)
PF13507
(GATase_5)
5 LEU D  92
GLY D  49
GLY D  84
LEU D 183
ALA D 141
None
CYG  D  86 ( 3.5A)
None
None
CYG  D  86 ( 4.6A)
0.96A 3ou6A-3d54D:
undetectable
3ou6A-3d54D:
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633


(Methanosarcina
mazei)
PF13649
(Methyltransf_25)
5 GLY A  52
SER A  75
MET A  78
ASP A  98
ALA A 114
None
0.89A 3ou6A-3dtnA:
17.7
3ou6A-3dtnA:
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.
3e23 UNCHARACTERIZED
PROTEIN RPA2492


(Rhodopseudomonas
palustris)
PF08241
(Methyltransf_11)
5 LEU A  14
TYR A  17
GLY A  53
GLY A  73
SER A  74
SAM  A 221 (-4.4A)
SAM  A 221 (-3.8A)
SAM  A 221 (-3.2A)
SAM  A 221 (-3.2A)
SAM  A 221 (-4.6A)
0.77A 3ou6A-3e23A:
19.0
3ou6A-3e23A:
27.03
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME


(Saccharomyces
cerevisiae)
PF01946
(Thi4)
5 GLY A 290
GLY A  74
SER A  75
MET A 309
ALA A 243
AHZ  A1100 (-3.5A)
AHZ  A1100 (-3.6A)
AHZ  A1100 (-3.6A)
AHZ  A1100 (-3.3A)
None
1.07A 3ou6A-3fpzA:
undetectable
3ou6A-3fpzA:
23.36
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis)
PF08241
(Methyltransf_11)
5 GLY A  63
SER A  84
MET A  87
ASP A 106
LEU A 107
None
1.05A 3ou6A-3l8dA:
14.4
3ou6A-3l8dA:
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ALA A 423
GLY A 421
GLY A 426
MET A 128
ALA A 449
None
1.06A 3ou6A-3m49A:
undetectable
3ou6A-3m49A:
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.
3now UNC-45 PROTEIN,
SD10334P


(Drosophila
melanogaster)
PF11701
(UNC45-central)
5 LEU A 472
GLY A 495
GLY A 490
LEU A 488
ALA A 511
None
0.82A 3ou6A-3nowA:
undetectable
3ou6A-3nowA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3obz PHYTANOYL-COA
DIOXYGENASE
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF05721
(PhyH)
6 LEU A 278
ALA A 106
GLY A 104
GLY A  74
SER A  73
LEU A 284
None
1.49A 3ou6A-3obzA:
undetectable
3ou6A-3obzA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE


(Streptomyces
luridus)
PF13649
(Methyltransf_25)
12 LEU A  12
TYR A  15
ALA A  54
GLY A  56
TRP A  60
GLY A  76
SER A  77
MET A  80
ASP A  98
LEU A  99
ALA A 114
TRP A 116
SAM  A 300 ( 3.9A)
SAM  A 300 ( 3.5A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.1A)
None
SAM  A 300 (-3.3A)
SAM  A 300 (-4.5A)
SAM  A 300 (-4.0A)
SAM  A 300 (-4.0A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.6A)
None
0.02A 3ou6A-3ou6A:
41.7
3ou6A-3ou6A:
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae)
PF13649
(Methyltransf_25)
6 TYR A  14
ALA A  58
GLY A  60
SER A  81
MET A  84
ASP A 101
SAH  A 263 ( 3.9A)
SAH  A 263 (-3.5A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.5A)
0.95A 3ou6A-3px2A:
17.3
3ou6A-3px2A:
28.46
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli)
PF00185
(OTCace)
PF02729
(OTCace_N)
5 LEU A 159
ALA A 118
GLY A  63
GLY A 120
SER A  65
None
1.11A 3ou6A-3q98A:
2.4
3ou6A-3q98A:
22.17
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.
3qvq PHOSPHODIESTERASE
OLEI02445


(Oleispira
antarctica)
PF03009
(GDPD)
5 LEU A 155
GLY A 168
SER A 148
LEU A 182
ALA A 173
None
None
G3P  A 301 ( 4.4A)
None
None
1.08A 3ou6A-3qvqA:
undetectable
3ou6A-3qvqA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uog ALCOHOL
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 LEU A 306
GLY A 182
LEU A 299
ALA A 157
TRP A 155
None
1.13A 3ou6A-3uogA:
4.8
3ou6A-3uogA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR


(Saccharomyces
cerevisiae)
PF00400
(WD40)
5 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
NO3  A 401 (-4.4A)
None
None
None
None
0.99A 3ou6A-3w15A:
undetectable
3ou6A-3w15A:
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.
3wai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE


(Escherichia
coli;
Archaeoglobus
fulgidus)
PF13416
(SBP_bac_8)
5 ALA A 162
GLY A 165
GLY A 191
ALA A 168
TRP A 158
None
1.08A 3ou6A-3waiA:
undetectable
3ou6A-3waiA:
14.81
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.
4d65 PORIN 2

(Providencia
stuartii)
PF00267
(Porin_1)
5 GLY A 191
GLY A 175
SER A 193
LEU A 149
ALA A 179
LDA  A1370 ( 4.6A)
LDA  A1383 ( 4.2A)
None
LDA  A1365 ( 4.3A)
None
1.03A 3ou6A-4d65A:
undetectable
3ou6A-4d65A:
18.62
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.
4emi TODA

(Pseudomonas
putida)
PF07992
(Pyr_redox_2)
PF14759
(Reductase_C)
5 LEU A 394
ALA A 350
GLY A 349
GLY A 344
LEU A 352
None
1.12A 3ou6A-4emiA:
2.5
3ou6A-4emiA:
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK


(Homo sapiens)
PF00017
(SH2)
PF07714
(Pkinase_Tyr)
5 LEU A 365
TYR A 364
ALA A 421
GLY A 437
LEU A 446
None
1.13A 3ou6A-4fl3A:
undetectable
3ou6A-4fl3A:
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.
4na3 POLYKETIDE SYNTHASE
PKSJ


(Bacillus
subtilis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
5 LEU A 397
TYR A 403
GLY A 352
LEU A 326
ALA A 426
None
0.93A 3ou6A-4na3A:
undetectable
3ou6A-4na3A:
17.37
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.
4q05 ESTERASE E25

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
5 GLY A 183
GLY A 213
SER A 185
LEU A 276
ALA A 209
None
1.13A 3ou6A-4q05A:
2.9
3ou6A-4q05A:
20.55
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE


(Mycolicibacterium
smegmatis)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ALA A  81
GLY A  83
TRP A 407
LEU A  72
ALA A  55
None
1.06A 3ou6A-4q9dA:
2.1
3ou6A-4q9dA:
17.71
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE


(Mycolicibacterium
smegmatis)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 GLY A  83
TRP A 407
GLY A  79
LEU A  72
ALA A  55
None
0.81A 3ou6A-4q9dA:
2.1
3ou6A-4q9dA:
17.71
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE


(Synechocystis
sp. PCC 6803)
PF07109
(Mg-por_mtran_C)
5 GLY A  72
SER A  93
MET A  96
ASP A 120
LEU A 121
SAH  A 301 (-3.6A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
1.08A 3ou6A-4qdkA:
17.2
3ou6A-4qdkA:
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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU


(Pseudomonas
fluorescens)
PF01734
(Patatin)
5 ALA A  95
GLY A  90
GLY A  61
SER A  60
ALA A 261
None
1.12A 3ou6A-4qmkA:
undetectable
3ou6A-4qmkA:
16.33
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.
4qrl HYPOTHETICAL PROTEIN

(Bacteroides
uniformis)
PF16585
(Lipocalin_8)
5 TYR A 118
GLY A  26
ASP A 115
LEU A 121
TRP A  32
None
1.03A 3ou6A-4qrlA:
undetectable
3ou6A-4qrlA:
17.29
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.
4xdt FAD:PROTEIN FMN
TRANSFERASE


(Treponema
pallidum)
PF02424
(ApbE)
5 LEU A  45
ALA A 164
GLY A 166
LEU A  52
ALA A 162
None
FAD  A 401 (-2.6A)
None
FAD  A 401 ( 3.9A)
FAD  A 401 ( 3.2A)
1.13A 3ou6A-4xdtA:
undetectable
3ou6A-4xdtA:
23.65
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135


(Acanthamoeba
polyphaga
mimivirus)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
6 LEU A  25
TYR A  24
GLY A 625
TRP A 618
LEU A  35
ALA A 232
None
1.50A 3ou6A-4z26A:
2.2
3ou6A-4z26A:
14.74
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE


(Streptomyces
platensis)
PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C)
5 LEU A 101
GLY A  51
GLY A  57
LEU A  59
ALA A  46
None
SO4  A 704 (-3.3A)
None
None
None
1.02A 3ou6A-5bp8A:
undetectable
3ou6A-5bp8A:
17.30
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650)
PF13649
(Methyltransf_25)
5 ALA A  53
GLY A  55
SER A  76
MET A  79
ASP A  96
SAH  A 301 (-3.3A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
0.73A 3ou6A-5bszA:
15.5
3ou6A-5bszA:
26.56
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.
5c2u NANOBODY

(Camelus
dromedarius)
PF07686
(V-set)
5 LEU B  17
TYR B  90
GLY B 117
GLY B   7
ALA B  93
None
1.13A 3ou6A-5c2uB:
undetectable
3ou6A-5c2uB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm3 L-GLUTAMINE
SYNTHETASE


(Chromohalobacter
salexigens)
PF00120
(Gln-synt_C)
5 ALA A 239
TRP A  96
SER A 152
LEU A 148
ALA A 234
None
1.07A 3ou6A-5dm3A:
undetectable
3ou6A-5dm3A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqs ELONGATION FACTOR
1-BETA


(Homo sapiens)
no annotation 5 GLY D  80
GLY D   4
ASP D   5
LEU D   6
ALA D  33
None
1.12A 3ou6A-5dqsD:
undetectable
3ou6A-5dqsD:
16.98
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.
5eyt ADENYLOSUCCINATE
LYASE


(Schistosoma
mansoni)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
5 LEU A 206
ALA A 193
GLY A 195
GLY A 103
LEU A  40
None
1.05A 3ou6A-5eytA:
undetectable
3ou6A-5eytA:
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum)
PF03662
(Glyco_hydro_79n)
5 LEU A 307
ALA A 394
GLY A 469
LEU A 356
ALA A 383
None
0.91A 3ou6A-5g0qA:
undetectable
3ou6A-5g0qA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN


(Streptococcus
pneumoniae)
PF01547
(SBP_bac_1)
5 LEU A 449
GLY A 348
GLY A 170
SER A 175
ALA A 429
None
1.05A 3ou6A-5g5zA:
undetectable
3ou6A-5g5zA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmx CARBOXYLESTERASE

(uncultured
bacterium)
PF00144
(Beta-lactamase)
5 TYR A 361
GLY A  37
ASP A  47
LEU A  48
ALA A  24
None
1.09A 3ou6A-5gmxA:
undetectable
3ou6A-5gmxA:
22.02
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE


(Methanohalophilus
portucalensis)
PF13649
(Methyltransf_25)
6 ALA A  67
GLY A  69
GLY A  89
SER A  90
MET A  93
ASP A 114
SAH  A 301 (-3.9A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.7A)
0.46A 3ou6A-5h02A:
17.4
3ou6A-5h02A:
24.57
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.
5h42 UNCHARACTERIZED
PROTEIN


(Lachnoclostridium
phytofermentans)
PF17167
(Glyco_hydro_36)
5 LEU A 225
TYR A 157
GLY A 153
GLY A 177
SER A 178
None
1.03A 3ou6A-5h42A:
undetectable
3ou6A-5h42A:
9.71
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
5 GLY A 205
GLY A 275
ASP A 279
ALA A 234
TRP A 236
None
None
ACT  A 405 (-2.7A)
None
None
1.11A 3ou6A-5hctA:
undetectable
3ou6A-5hctA:
18.68
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.
5hxs SODIUM,CALCIUM
EXCHANGER


(Methanocaldococcus
jannaschii)
PF01699
(Na_Ca_ex)
5 LEU A 254
ALA A 244
GLY A 248
SER A 249
ALA A 239
None
1.12A 3ou6A-5hxsA:
undetectable
3ou6A-5hxsA:
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae)
PF13847
(Methyltransf_31)
6 ALA A  47
GLY A  49
SER A  71
MET A  74
ASP A  95
ALA A 111
SAH  A 301 (-3.2A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 4.8A)
SAH  A 301 ( 4.5A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.8A)
0.65A 3ou6A-5je3A:
16.5
3ou6A-5je3A:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp7 ACETYL-COA
ACETYLTRANSFERASE


(Bacillus
subtilis)
no annotation 5 ALA H 356
GLY H 113
GLY H 352
MET H  53
ALA H   9
None
1.12A 3ou6A-5lp7H:
undetectable
3ou6A-5lp7H:
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.
5mfb YIII(DQ)4CQI

(synthetic
construct)
PF00514
(Arm)
5 ALA A 157
SER A 150
ASP A 147
LEU A 146
ALA A 120
None
1.10A 3ou6A-5mfbA:
undetectable
3ou6A-5mfbA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mfb YIII(DQ)4CQI

(synthetic
construct)
PF00514
(Arm)
5 ALA A 199
SER A 192
ASP A 189
LEU A 188
ALA A 162
None
1.09A 3ou6A-5mfbA:
undetectable
3ou6A-5mfbA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2p TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Sulfolobus
solfataricus)
no annotation 5 LEU A 238
TYR A 241
ALA A 201
GLY A 205
GLY A 208
None
0.96A 3ou6A-5n2pA:
undetectable
3ou6A-5n2pA:
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.
5nxn PORIN 1

(Providencia
stuartii)
no annotation 5 GLY A 193
GLY A 177
SER A 195
LEU A 152
ALA A 181
None
1.00A 3ou6A-5nxnA:
undetectable
3ou6A-5nxnA:
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 5 TYR A 375
ALA A 419
GLY A 430
ALA A  32
TRP A 436
None
None
None
None
GOL  A 501 ( 4.4A)
1.11A 3ou6A-5oieA:
undetectable
3ou6A-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.
5olj DIPEPTIDYL PEPTIDASE
IV


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
5 LEU A 603
ALA A 615
GLY A 591
GLY A 613
ALA A 617
None
0.95A 3ou6A-5oljA:
undetectable
3ou6A-5oljA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
5 GLY A 205
GLY A 275
ASP A 279
ALA A 234
TRP A 236
None
1.13A 3ou6A-5p60A:
undetectable
3ou6A-5p60A:
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE


(Vigna
unguiculata)
PF01150
(GDA1_CD39)
5 LEU F  94
ALA F  87
GLY F  14
SER F  49
LEU F 103
None
None
PO4  F 502 (-3.4A)
None
None
1.00A 3ou6A-5u7xF:
undetectable
3ou6A-5u7xF:
19.18
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.
5uao TRYPTOPHANE-5-HALOGE
NASE


(Microbispora
sp. ATCC
PTA-5024)
PF04820
(Trp_halogenase)
5 LEU A 103
ALA A 499
GLY A 502
ASP A 121
LEU A 144
None
1.10A 3ou6A-5uaoA:
2.4
3ou6A-5uaoA:
18.20
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN


(Xanthomonas
citri)
PF13531
(SBP_bac_11)
5 ALA A 225
GLY A 184
GLY A  95
SER A  96
ALA A 243
SO4  A 401 (-3.4A)
SO4  A 401 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-4.4A)
None
0.91A 3ou6A-5um2A:
undetectable
3ou6A-5um2A:
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN


(Xanthomonas
citri)
PF13531
(SBP_bac_11)
5 TYR A  60
ALA A 225
GLY A 184
GLY A  95
ALA A 243
SO4  A 401 (-4.7A)
SO4  A 401 (-3.4A)
SO4  A 401 (-3.3A)
SO4  A 401 (-3.6A)
None
1.09A 3ou6A-5um2A:
undetectable
3ou6A-5um2A:
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.
5w7k OXAG

(Penicillium
oxalicum)
no annotation 5 ALA A  54
GLY A  56
SER A  84
ASP A 109
ALA A 126
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.5A)
0.71A 3ou6A-5w7kA:
15.6
3ou6A-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN


(Penicillium
rubens)
no annotation 5 ALA A  54
GLY A  56
SER A  84
ASP A 109
ALA A 126
SAH  A 301 (-3.3A)
SAH  A 301 (-3.3A)
None
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
0.64A 3ou6A-5w7mA:
15.5
3ou6A-5w7mA:
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT


(Desulfovibrio
gigas)
no annotation 5 LEU A 579
ALA A 536
GLY A 538
MET A 251
ASP A 541
None
1.04A 3ou6A-5xmjA:
undetectable
3ou6A-5xmjA:
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4


(Pseudoxanthomonas
mexicana)
no annotation 5 ALA A 635
GLY A 611
GLY A 633
LEU A 681
ALA A 637
None
1.11A 3ou6A-5yp3A:
undetectable
3ou6A-5yp3A:
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4


(Pseudoxanthomonas
mexicana)
no annotation 5 LEU A 623
ALA A 635
GLY A 611
GLY A 633
ALA A 637
None
0.94A 3ou6A-5yp3A:
undetectable
3ou6A-5yp3A:
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)


(Homo sapiens)
no annotation 5 LEU A1177
ALA A1230
GLY A1226
GLY A1217
MET A1221
None
1.14A 3ou6A-6bq1A:
undetectable
3ou6A-6bq1A:
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE


(Haloferax
volcanii)
no annotation 5 GLY A  48
GLY A  70
SER A  71
MET A  74
ASP A  93
SAH  A 301 ( 3.7A)
SAH  A 301 (-3.6A)
None
SAH  A 301 (-4.0A)
SAH  A 301 (-3.8A)
0.56A 3ou6A-6f5zA:
18.0
3ou6A-6f5zA:
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.
6fkx ACETYL XYLAN
ESTERASE


(metagenome)
no annotation 5 LEU C 157
ALA C 193
GLY C 189
ASP C 160
ALA C 260
None
1.10A 3ou6A-6fkxC:
undetectable
3ou6A-6fkxC:
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.
6gu8 -

(-)
no annotation 5 ALA A 262
GLY A 255
SER A 278
LEU A 133
ALA A 227
None
EDO  A 505 ( 4.9A)
None
None
None
1.07A 3ou6A-6gu8A:
undetectable
3ou6A-6gu8A:
undetectable