SIMILAR PATTERNS OF AMINO ACIDS FOR 6DGX_A_017A101_2

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.
1ad1 DIHYDROPTEROATE
SYNTHETASE


(Staphylococcus
aureus)
PF00809
(Pterin_bind)
3 GLY A  47
ASP A  45
ILE A  81
None
0.58A 6dgxB-1ad1A:
0.0
6dgxB-1ad1A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P


(Saccharomyces
cerevisiae)
PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N)
3 GLY A 181
ASP A 178
ILE A 214
None
0.56A 6dgxB-1auaA:
0.0
6dgxB-1auaA:
14.34
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.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)


(Thermococcus
kodakarensis)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
3 GLY A  32
ASP A  30
ILE A  63
None
0.53A 6dgxB-1b8aA:
0.1
6dgxB-1b8aA:
11.67
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.
1dcj YHHP PROTEIN

(Escherichia
coli)
PF01206
(TusA)
3 GLY A  16
ASP A  13
ILE A  41
None
0.42A 6dgxB-1dcjA:
undetectable
6dgxB-1dcjA:
19.28
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)


(Escherichia
coli)
PF01180
(DHO_dh)
3 GLY A 119
ASP A  67
ILE A  84
None
0.40A 6dgxB-1f76A:
0.0
6dgxB-1f76A:
12.61
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.
1fpr PROTEIN-TYROSINE
PHOSPHATASE 1C


(Homo sapiens)
PF00102
(Y_phosphatase)
3 GLY A 300
ASP A 302
ILE A 304
None
0.58A 6dgxB-1fprA:
0.0
6dgxB-1fprA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fvf SEC1

(Doryteuthis
pealeii)
PF00995
(Sec1)
3 GLY A 545
ASP A 584
ILE A 588
None
0.60A 6dgxB-1fvfA:
undetectable
6dgxB-1fvfA:
9.25
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE


(Thermotoga
maritima)
PF00128
(Alpha-amylase)
PF09083
(DUF1923)
3 GLY A 428
ASP A 430
ILE A 412
None
0.62A 6dgxB-1gjuA:
0.0
6dgxB-1gjuA:
8.13
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.
1gll GLYCEROL KINASE

(Escherichia
coli)
no annotation 3 GLY Y  12
ASP Y  10
ILE Y  79
ACP  Y 601 (-2.9A)
MG  Y 602 ( 3.7A)
None
0.59A 6dgxB-1gllY:
0.0
6dgxB-1gllY:
10.29
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.
1gxe MYOSIN BINDING
PROTEIN C,
CARDIAC-TYPE


(Homo sapiens)
PF07679
(I-set)
3 GLY A 118
ASP A 120
ILE A  33
None
0.56A 6dgxB-1gxeA:
undetectable
6dgxB-1gxeA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 GLY A  27
ASP A  29
ILE A  47
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
0.43A 6dgxB-1hvcA:
14.4
6dgxB-1hvcA:
42.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 GLY A  27
ASP A  29
ILE A  47
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
0.30A 6dgxB-1hvcA:
14.4
6dgxB-1hvcA:
42.93
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.
1hzf COMPLEMENT FACTOR
C4A


(Homo sapiens)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
3 GLY A1115
ASP A1117
ILE A1176
None
0.62A 6dgxB-1hzfA:
undetectable
6dgxB-1hzfA:
13.89
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.
1j2r HYPOTHETICAL
ISOCHORISMATASE
FAMILY PROTEIN YECD


(Escherichia
coli)
PF00857
(Isochorismatase)
3 GLY A 131
ASP A 133
ILE A 135
None
0.58A 6dgxB-1j2rA:
undetectable
6dgxB-1j2rA:
19.46
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.
1j93 UROPORPHYRINOGEN
DECARBOXYLASE


(Nicotiana
tabacum)
PF01208
(URO-D)
3 GLY A 266
ASP A 268
ILE A 249
None
0.61A 6dgxB-1j93A:
undetectable
6dgxB-1j93A:
14.04
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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Sulfolobus
solfataricus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLY A 216
ASP A 218
ILE A 200
None
0.62A 6dgxB-1jvbA:
undetectable
6dgxB-1jvbA:
12.42
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum)
PF05034
(MAAL_N)
PF07476
(MAAL_C)
3 GLY A 161
ASP A 156
ILE A 154
None
0.58A 6dgxB-1kczA:
undetectable
6dgxB-1kczA:
12.38
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 GLY A 116
ASP A 113
ILE A 302
None
0.57A 6dgxB-1mnsA:
undetectable
6dgxB-1mnsA:
15.29
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.
1ndf CARNITINE
ACETYLTRANSFERASE


(Mus musculus)
PF00755
(Carn_acyltransf)
3 GLY A 513
ASP A 466
ILE A 468
None
0.59A 6dgxB-1ndfA:
undetectable
6dgxB-1ndfA:
9.41
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
3 GLY A 431
ASP A 389
ILE A 382
None
0.57A 6dgxB-1nfgA:
undetectable
6dgxB-1nfgA:
10.79
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.
1oh3 NON-CATALYTIC
PROTEIN 1


(Piromyces equi)
no annotation 3 GLY A  71
ASP A 117
ILE A  39
None
0.60A 6dgxB-1oh3A:
undetectable
6dgxB-1oh3A:
15.97
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT


(Propionibacterium
freudenreichii)
PF01039
(Carboxyl_trans)
3 GLY A 141
ASP A 139
ILE A 175
MCA  A4001 (-3.4A)
None
None
0.57A 6dgxB-1on9A:
undetectable
6dgxB-1on9A:
8.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pca PROCARBOXYPEPTIDASE
A PCPA


(Sus scrofa)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
3 GLY A  49
ASP A  18
ILE A  73
None
0.58A 6dgxB-1pcaA:
undetectable
6dgxB-1pcaA:
13.21
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.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus)
PF02078
(Synapsin)
PF02750
(Synapsin_C)
3 GLY A 132
ASP A 140
ILE A 135
None
0.53A 6dgxB-1pk8A:
undetectable
6dgxB-1pk8A:
10.10
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.
1pku NUCLEOSIDE
DIPHOSPHATE KINASE I


(Oryza sativa)
PF00334
(NDK)
3 GLY A  19
ASP A  23
ILE A 104
None
0.58A 6dgxB-1pkuA:
undetectable
6dgxB-1pkuA:
17.65
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.
1poj ISOASPARTYL
DIPEPTIDASE


(Escherichia
coli)
PF01979
(Amidohydro_1)
3 GLY A 372
ASP A 355
ILE A 348
None
0.57A 6dgxB-1pojA:
undetectable
6dgxB-1pojA:
12.69
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.
1poq YPM

(Yersinia
pseudotuberculosis)
PF09144
(YpM)
3 GLY A  35
ASP A 118
ILE A  15
None
0.56A 6dgxB-1poqA:
undetectable
6dgxB-1poqA:
23.28
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE


(Staphylococcus
aureus)
PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1)
3 GLY A 329
ASP A 334
ILE A 336
None
0.54A 6dgxB-1qu2A:
undetectable
6dgxB-1qu2A:
6.94
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.
1rkv HOMOSERINE KINASE

(Pseudomonas
aeruginosa)
PF12710
(HAD)
3 GLY A  10
ASP A   7
ILE A  88
MG  A 402 ( 4.1A)
MG  A 401 ( 2.7A)
None
0.61A 6dgxB-1rkvA:
undetectable
6dgxB-1rkvA:
18.56
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
3 GLY A 265
ASP A 779
ILE A  36
None
0.60A 6dgxB-1rrhA:
undetectable
6dgxB-1rrhA:
7.08
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE


(Rattus
norvegicus)
PF00755
(Carn_acyltransf)
3 GLY A 509
ASP A 460
ILE A 462
None
0.59A 6dgxB-1t1uA:
undetectable
6dgxB-1t1uA:
8.99
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.
1t5o TRANSLATION
INITIATION FACTOR
EIF2B, SUBUNIT DELTA


(Archaeoglobus
fulgidus)
PF01008
(IF-2B)
3 GLY A 206
ASP A 208
ILE A 181
None
0.62A 6dgxB-1t5oA:
undetectable
6dgxB-1t5oA:
15.02
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.
1to3 PUTATIVE ALDOLASE
YIHT


(Salmonella
enterica)
PF01791
(DeoC)
3 GLY A 188
ASP A 186
ILE A 218
None
0.56A 6dgxB-1to3A:
undetectable
6dgxB-1to3A:
12.83
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
3 GLY A 105
ASP A 197
ILE A 351
None
0.61A 6dgxB-1tqyA:
undetectable
6dgxB-1tqyA:
12.13
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A


(Staphylococcus
aureus)
PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14)
3 GLY A 171
ASP A 175
ILE A 177
None
0.61A 6dgxB-1tv8A:
undetectable
6dgxB-1tv8A:
16.16
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.
1tye INTEGRIN BETA-3

(Homo sapiens)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin)
3 GLY B 237
ASP B 113
ILE B 151
None
0.54A 6dgxB-1tyeB:
undetectable
6dgxB-1tyeB:
9.95
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE


(Pyrococcus
horikoshii)
PF04587
(ADP_PFK_GK)
3 GLY A 118
ASP A 455
ILE A 241
SO4  A1003 (-3.4A)
None
None
0.57A 6dgxB-1u2xA:
undetectable
6dgxB-1u2xA:
11.34
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.
1vf8 SECRETORY PROTEIN

(Mus musculus)
PF00704
(Glyco_hydro_18)
3 GLY A 215
ASP A 219
ILE A 166
None
0.56A 6dgxB-1vf8A:
undetectable
6dgxB-1vf8A:
13.00
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.
1we7 SF3A1 PROTEIN

(Mus musculus)
PF00240
(ubiquitin)
3 GLY A  74
ASP A  87
ILE A  85
None
0.61A 6dgxB-1we7A:
undetectable
6dgxB-1we7A:
24.75
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.
1xog NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
3 GLY A  91
ASP A 357
ILE A  95
None
0.60A 6dgxB-1xogA:
undetectable
6dgxB-1xogA:
11.86
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.
1xpj HYPOTHETICAL PROTEIN

(Vibrio cholerae)
PF08282
(Hydrolase_3)
3 GLY A  10
ASP A   7
ILE A  45
None
0.52A 6dgxB-1xpjA:
undetectable
6dgxB-1xpjA:
22.86
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE


(Populus
tremuloides)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLY A 278
ASP A 253
ILE A 189
NAP  A 500 (-3.4A)
None
None
0.46A 6dgxB-1yqdA:
undetectable
6dgxB-1yqdA:
11.23
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.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB


(Mycobacterium
tuberculosis)
PF02518
(HATPase_c)
3 GLY A 358
ASP A 380
ILE A 351
None
0.61A 6dgxB-1ysrA:
undetectable
6dgxB-1ysrA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB


(Mycobacterium
tuberculosis)
PF02518
(HATPase_c)
3 GLY A 359
ASP A 380
ILE A 351
None
0.47A 6dgxB-1ysrA:
undetectable
6dgxB-1ysrA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zak ADENYLATE KINASE

(Zea mays)
PF00406
(ADK)
3 GLY A 209
ASP A 205
ILE A  25
None
0.45A 6dgxB-1zakA:
undetectable
6dgxB-1zakA:
18.81
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.
2bf8 UBIQUITIN-LIKE
PROTEIN SMT3C


(Homo sapiens)
PF11976
(Rad60-SLD)
3 GLY B  81
ASP B  86
ILE B  88
None
0.50A 6dgxB-2bf8B:
undetectable
6dgxB-2bf8B:
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.
2bzn GMP REDUCTASE 2

(Homo sapiens)
PF00478
(IMPDH)
3 GLY A 235
ASP A 237
ILE A 217
None
0.62A 6dgxB-2bznA:
undetectable
6dgxB-2bznA:
15.19
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN


(Bacillus
anthracis)
PF01156
(IU_nuc_hydro)
3 GLY A 126
ASP A 247
ILE A 194
CA  A1311 ( 4.2A)
RIB  A1312 ( 2.5A)
None
0.59A 6dgxB-2c40A:
undetectable
6dgxB-2c40A:
12.10
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE


(Arabidopsis
thaliana)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLY A 275
ASP A 250
ILE A 186
None
0.61A 6dgxB-2cf5A:
undetectable
6dgxB-2cf5A:
12.57
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 GLY A  12
ASP A  10
ILE A  79
ADP  A1482 ( 4.0A)
None
None
0.56A 6dgxB-2cgjA:
undetectable
6dgxB-2cgjA:
12.85
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.
2cry KIN OF IRRE-LIKE
PROTEIN 3


(Homo sapiens)
PF13927
(Ig_3)
3 GLY A 101
ASP A 103
ILE A  37
None
0.45A 6dgxB-2cryA:
undetectable
6dgxB-2cryA:
25.45
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.
2cy7 CYSTEINE PROTEASE
APG4B


(Homo sapiens)
PF03416
(Peptidase_C54)
3 GLY A 257
ASP A 314
ILE A 235
None
0.58A 6dgxB-2cy7A:
undetectable
6dgxB-2cy7A:
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA


(Escherichia
coli)
PF00282
(Pyridoxal_deC)
3 GLY A 210
ASP A 243
ILE A 270
None
PLP  A1500 (-2.9A)
None
0.55A 6dgxB-2dgkA:
undetectable
6dgxB-2dgkA:
11.75
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.
2djw PROBABLE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY


(Thermus
thermophilus)
PF01037
(AsnC_trans_reg)
3 GLY A  36
ASP A  39
ILE A   8
None
0.56A 6dgxB-2djwA:
undetectable
6dgxB-2djwA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e6m WERNER SYNDROME
ATP-DEPENDENT
HELICASE HOMOLOG


(Mus musculus)
PF01612
(DNA_pol_A_exo1)
3 GLY A 131
ASP A 137
ILE A  94
None
0.60A 6dgxB-2e6mA:
undetectable
6dgxB-2e6mA:
18.83
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1


(Mus musculus)
PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding)
3 GLY A 126
ASP A  29
ILE A 241
None
0.58A 6dgxB-2f17A:
undetectable
6dgxB-2f17A:
17.60
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG)
PF05199
(GMC_oxred_C)
3 GLY A  55
ASP A  76
ILE A  80
FAD  A1625 (-3.3A)
FAD  A1625 (-2.9A)
None
0.57A 6dgxB-2f5vA:
undetectable
6dgxB-2f5vA:
9.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
3 GLY A  27
ASP A  29
ILE A  53
LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
0.15A 6dgxB-2fmbA:
15.1
6dgxB-2fmbA:
31.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fy2 CHOLINE
O-ACETYLTRANSFERASE


(Homo sapiens)
PF00755
(Carn_acyltransf)
3 GLY A 499
ASP A 450
ILE A 452
None
0.57A 6dgxB-2fy2A:
undetectable
6dgxB-2fy2A:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fyw CONSERVED
HYPOTHETICAL PROTEIN


(Streptococcus
pneumoniae)
PF01784
(NIF3)
3 GLY A  57
ASP A  59
ILE A 250
None
0.59A 6dgxB-2fywA:
undetectable
6dgxB-2fywA:
18.37
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.
2g7z CONSERVED
HYPOTHETICAL PROTEIN
SPY1493


(Streptococcus
pyogenes)
PF02645
(DegV)
3 GLY A   2
ASP A  84
ILE A 144
None
ZN  A6003 (-2.3A)
None
0.53A 6dgxB-2g7zA:
undetectable
6dgxB-2g7zA:
15.25
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN


(Escherichia
coli)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
3 GLY A 536
ASP A 532
ILE A 458
None
0.55A 6dgxB-2gepA:
undetectable
6dgxB-2gepA:
9.88
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 GLY A 464
ASP A 471
ILE A 394
None
0.46A 6dgxB-2gv9A:
undetectable
6dgxB-2gv9A:
5.20
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.
2gz4 HYPOTHETICAL PROTEIN
ATU1052


(Agrobacterium
fabrum)
no annotation 3 GLY A 123
ASP A  77
ILE A 195
None
0.51A 6dgxB-2gz4A:
undetectable
6dgxB-2gz4A:
20.30
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.
2h34 SERINE/THREONINE-PRO
TEIN KINASE PKNE


(Mycobacterium
tuberculosis)
PF00069
(Pkinase)
3 GLY A  83
ASP A  81
ILE A  79
None
0.61A 6dgxB-2h34A:
undetectable
6dgxB-2h34A:
14.19
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.
2hzs RNA POLYMERASE II
MEDIATOR COMPLEX
SUBUNIT 20


(Saccharomyces
cerevisiae)
PF08612
(Med20)
3 GLY A 124
ASP A  38
ILE A  60
None
0.59A 6dgxB-2hzsA:
undetectable
6dgxB-2hzsA:
19.27
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN


(Thermoplasma
acidophilum)
PF01019
(G_glu_transpept)
3 GLY A 341
ASP A 498
ILE A 495
None
0.61A 6dgxB-2i3oA:
undetectable
6dgxB-2i3oA:
10.56
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.
2iue INTEGRIN BETA-2-LIKE
PROTEIN


(Mus musculus)
PF00362
(Integrin_beta)
3 GLY A 100
ASP A   5
ILE A  43
None
0.53A 6dgxB-2iueA:
undetectable
6dgxB-2iueA:
14.21
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.
2kui SERINE/THREONINE-PRO
TEIN KINASE PKNB


(Mycobacterium
tuberculosis)
PF03793
(PASTA)
3 GLY A 423
ASP A 391
ILE A 480
None
0.56A 6dgxB-2kuiA:
undetectable
6dgxB-2kuiA:
17.57
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.
2nn6 EXOSOME COMPLEX
EXONUCLEASE RRP43


(Homo sapiens)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
3 GLY C  54
ASP C 145
ILE C 148
None
0.54A 6dgxB-2nn6C:
undetectable
6dgxB-2nn6C:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM


(Homo sapiens)
PF00149
(Metallophos)
3 GLY C  84
ASP C  57
ILE C 259
None
MN  C 502 ( 3.2A)
None
0.58A 6dgxB-2nymC:
undetectable
6dgxB-2nymC:
12.63
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.
2o14 HYPOTHETICAL PROTEIN
YXIM


(Bacillus
subtilis)
PF13472
(Lipase_GDSL_2)
3 GLY A 231
ASP A 271
ILE A 364
None
0.59A 6dgxB-2o14A:
undetectable
6dgxB-2o14A:
13.71
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE


(Arabidopsis
thaliana)
PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N)
3 GLY A 236
ASP A 238
ILE A 210
None
0.58A 6dgxB-2o7qA:
undetectable
6dgxB-2o7qA:
12.05
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.
2phc UNCHARACTERIZED
PROTEIN PH0987


(Pyrococcus
horikoshii)
PF02682
(CT_C_D)
3 GLY B  97
ASP B  99
ILE B 163
None
0.58A 6dgxB-2phcB:
undetectable
6dgxB-2phcB:
17.92
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.
2q3q UNCHARACTERIZED
PROTEIN AT1G24000


(Arabidopsis
thaliana)
PF00407
(Bet_v_1)
3 GLY A   5
ASP A  98
ILE A  96
None
0.60A 6dgxB-2q3qA:
undetectable
6dgxB-2q3qA:
19.69
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.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 1


(Sulfolobus
solfataricus)
PF09079
(Cdc6_C)
PF13401
(AAA_22)
3 GLY A 354
ASP A 351
ILE A 372
None
0.48A 6dgxB-2qbyA:
undetectable
6dgxB-2qbyA:
13.62
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.
2qjg PUTATIVE ALDOLASE
MJ0400


(Methanocaldococcus
jannaschii)
PF01791
(DeoC)
3 GLY A 179
ASP A 181
ILE A 149
None
0.62A 6dgxB-2qjgA:
undetectable
6dgxB-2qjgA:
13.28
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.
2qjl UBIQUITIN-RELATED
MODIFIER 1


(Saccharomyces
cerevisiae)
PF09138
(Urm1)
3 GLY A  10
ASP A  13
ILE A  15
None
0.61A 6dgxB-2qjlA:
undetectable
6dgxB-2qjlA:
16.16
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.
2qlt (DL)-GLYCEROL-3-PHOS
PHATASE 1


(Saccharomyces
cerevisiae)
PF13419
(HAD_2)
3 GLY A 204
ASP A  39
ILE A 218
None
CA  A 278 ( 2.2A)
None
0.62A 6dgxB-2qltA:
undetectable
6dgxB-2qltA:
17.78
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE


(Vibrio
parahaemolyticus)
PF00282
(Pyridoxal_deC)
3 GLY A 728
ASP A 755
ILE A 780
None
0.60A 6dgxB-2qmaA:
undetectable
6dgxB-2qmaA:
11.66
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN


(Rubrobacter
xylanophilus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 GLY A 365
ASP A 164
ILE A 166
None
0.59A 6dgxB-2qq6A:
undetectable
6dgxB-2qq6A:
13.08
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.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G


(Staphylococcus
epidermidis)
PF10425
(SdrG_C_C)
3 GLY A 592
ASP A 351
ILE A 349
None
0.54A 6dgxB-2ralA:
undetectable
6dgxB-2ralA:
12.54
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
3 GLY A1028
ASP A1070
ILE A1092
FMN  A2474 (-3.5A)
FMN  A2474 (-3.1A)
None
0.61A 6dgxB-2vdcA:
undetectable
6dgxB-2vdcA:
5.16
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa)
PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc)
3 GLY A  94
ASP A  92
ILE A 834
None
0.60A 6dgxB-2vz9A:
undetectable
6dgxB-2vz9A:
3.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL


(Homo sapiens)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 GLY A 250
ASP A 255
ILE A 305
None
0.59A 6dgxB-2wd9A:
undetectable
6dgxB-2wd9A:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
pneumoniae)
PF13519
(VWA_2)
3 GLY A 546
ASP A 544
ILE A 541
None
0.52A 6dgxB-2ww8A:
undetectable
6dgxB-2ww8A:
7.83
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.
2xj9 MIPZ

(Caulobacter
vibrioides)
PF09140
(MipZ)
3 GLY A 231
ASP A 236
ILE A  64
None
0.62A 6dgxB-2xj9A:
undetectable
6dgxB-2xj9A:
13.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR


(Methanothermobacter
thermautotrophicus)
PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
3 GLY A 435
ASP A 438
ILE A 401
None
0.53A 6dgxB-2ycbA:
undetectable
6dgxB-2ycbA:
8.43
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1


(Homo sapiens)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
3 GLY A 323
ASP A 307
ILE A 250
None
0.57A 6dgxB-2yd0A:
undetectable
6dgxB-2yd0A:
6.12
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE


(Pseudomonas sp.
P-501)
no annotation 3 GLY A 212
ASP A 231
ILE A 227
None
0.57A 6dgxB-2yr5A:
undetectable
6dgxB-2yr5A:
7.79
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.
2zp2 KINASE A INHIBITOR

(Bacillus
subtilis)
PF02682
(CT_C_D)
3 GLY A 113
ASP A 115
ILE A 179
None
0.56A 6dgxB-2zp2A:
undetectable
6dgxB-2zp2A:
22.41
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.
3a76 GAMMA-HEXACHLOROCYCL
OHEXANE
DEHYDROCHLORINASE


(Sphingomonas
paucimobilis)
PF13577
(SnoaL_4)
3 GLY A  92
ASP A 115
ILE A  13
None
0.53A 6dgxB-3a76A:
undetectable
6dgxB-3a76A:
18.63
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.
3aiz DNA POLYMERASE
SLIDING CLAMP B


(Sulfurisphaera
tokodaii)
PF00705
(PCNA_N)
PF02747
(PCNA_C)
3 GLY A 237
ASP A  11
ILE A 214
None
0.49A 6dgxB-3aizA:
undetectable
6dgxB-3aizA:
15.81
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE


(Chlamydia
trachomatis)
PF00155
(Aminotran_1_2)
3 GLY A 357
ASP A 339
ILE A 337
None
0.53A 6dgxB-3asaA:
undetectable
6dgxB-3asaA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3by7 UNCHARACTERIZED
PROTEIN


(uncultured
marine organism)
no annotation 3 GLY A  12
ASP A  14
ILE A  35
None
0.52A 6dgxB-3by7A:
undetectable
6dgxB-3by7A:
23.00
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE


(Salmonella
enterica)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 GLY A  36
ASP A  34
ILE A  64
None
0.54A 6dgxB-3d46A:
undetectable
6dgxB-3d46A:
10.05
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN


(Neurospora
crassa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
3 GLY A  11
ASP A 234
ILE A  14
None
0.43A 6dgxB-3e1hA:
undetectable
6dgxB-3e1hA:
13.41
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.
3e48 PUTATIVE
NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE


(Staphylococcus
aureus)
PF13460
(NAD_binding_10)
3 GLY A  65
ASP A  67
ILE A   3
None
0.60A 6dgxB-3e48A:
undetectable
6dgxB-3e48A:
16.18
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.
3e53 FATTY-ACID-COA
LIGASE FADD28


(Mycobacterium
tuberculosis)
PF00501
(AMP-binding)
3 GLY A 453
ASP A 397
ILE A 386
None
0.60A 6dgxB-3e53A:
undetectable
6dgxB-3e53A:
10.02
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.
3e74 ALLANTOINASE

(Escherichia
coli)
PF01979
(Amidohydro_1)
3 GLY A 429
ASP A 387
ILE A 380
None
0.57A 6dgxB-3e74A:
undetectable
6dgxB-3e74A:
10.13