SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q6K_A_ADNA699_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase) 		4 ASP A  60
TYR A  62
TYR A 150
THR A 149
 None
 1.46A 2q6kA-1bplA:
1.0		 2q6kA-1bplA:
23.16
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.
1h3q SEDLIN

(Mus musculus) 		PF04628
(Sedlin_N) 		4 PHE A  99
TYR A 106
TYR A 103
THR A  77
 None
 1.41A 2q6kA-1h3qA:
0.1		 2q6kA-1h3qA:
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 ASP A 269
PHE A 271
TYR A 274
TRP A 319
 None
 1.30A 2q6kA-1h4pA:
0.0		 2q6kA-1h4pA:
21.09
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASP A 340
TYR A 269
PRO A 272
THR A 274
 None
 1.50A 2q6kA-1hwwA:
0.0		 2q6kA-1hwwA:
14.86
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 PHE A  91
TYR A 170
PRO A 119
THR A 120
 None
 1.30A 2q6kA-1kl7A:
0.0		 2q6kA-1kl7A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 349
TYR A 276
TYR A 275
THR A 239
 None
 1.47A 2q6kA-1ljyA:
0.0		 2q6kA-1ljyA:
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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 PHE B 113
TYR B 242
PRO B  85
THR B  90
 None
 1.47A 2q6kA-1mabB:
undetectable		 2q6kA-1mabB:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 PHE A 198
TYR A  38
PRO A 194
THR A  84
 None
 1.33A 2q6kA-1np7A:
undetectable		 2q6kA-1np7A:
21.89
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASP A  60
TYR A  62
TYR A 150
THR A 149
 None
 1.49A 2q6kA-1vjsA:
undetectable		 2q6kA-1vjsA:
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASP A  62
TYR A  64
TYR A 152
THR A 151
 None
 1.49A 2q6kA-1w9xA:
undetectable		 2q6kA-1w9xA:
19.64
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A  67
PHE A  65
TYR A  73
PRO A  66
 None
 1.50A 2q6kA-1wraA:
undetectable		 2q6kA-1wraA:
20.29
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.
1wxa AFADIN

(Mus musculus) 		PF00788
(RA) 		4 ASP A  17
TYR A  15
TYR A  25
PRO A  24
 None
 1.45A 2q6kA-1wxaA:
undetectable		 2q6kA-1wxaA:
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 ASP A  42
PHE A  40
TYR A  48
PRO A  41
 None
 1.48A 2q6kA-2bibA:
undetectable		 2q6kA-2bibA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c4t 5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE

(Streptomyces
cattleya) 		PF01887
(SAM_adeno_trans) 		4 ASP A  16
TYR A  77
PRO A  78
THR A  80
 SA8  A1299 (-2.9A)
None
SA8  A1299 (-4.4A)
SA8  A1299 (-4.0A)
 0.46A 2q6kA-2c4tA:
31.5		 2q6kA-2c4tA:
38.49
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.
2dj1 PROTEIN
DISULFIDE-ISOMERASE
A4

(Mus musculus) 		PF00085
(Thioredoxin) 		4 PHE A  52
TYR A  92
PRO A  93
THR A  94
 None
 1.36A 2q6kA-2dj1A:
undetectable		 2q6kA-2dj1A:
20.85
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.
2fui BROMODOMAIN PHD
FINGER TRANSCRIPTION
FACTOR

(Homo sapiens) 		PF00628
(PHD) 		4 ASP A  18
TYR A  17
TYR A  10
PRO A  16
 None
 1.39A 2q6kA-2fuiA:
undetectable		 2q6kA-2fuiA:
15.30
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.
2go7 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		4 PHE A 126
TYR A 161
TYR A 106
THR A 107
 None
None
CL  A 210 ( 4.3A)
CL  A 212 (-4.1A)
 1.44A 2q6kA-2go7A:
2.1		 2q6kA-2go7A:
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.
2k6m SUPERVILLIN

(Homo sapiens) 		PF02209
(VHP) 		4 ASP S  46
TYR S  41
TYR S  19
PRO S  20
 None
 1.46A 2q6kA-2k6mS:
undetectable		 2q6kA-2k6mS:
16.28
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.
2leq UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF08327
(AHSA1) 		4 ASP A  62
PHE A  80
TYR A  60
TRP A  55
 None
 1.44A 2q6kA-2leqA:
undetectable		 2q6kA-2leqA:
19.19
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		4 TYR A 176
TYR A 177
PRO A 178
THR A 115
 None
 1.24A 2q6kA-2o14A:
3.2		 2q6kA-2o14A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		4 ASP A 232
TYR A 195
PRO A 196
THR A 203
 None
 1.47A 2q6kA-2x5fA:
undetectable		 2q6kA-2x5fA:
23.61
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		4 TYR A 196
PRO A 229
THR A 227
TRP A 262
 None
 1.29A 2q6kA-2y8vA:
undetectable		 2q6kA-2y8vA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2za1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Plasmodium
falciparum) 		PF00215
(OMPdecase) 		4 ASP A  25
PHE A 107
PRO A  24
THR A 297
 None
 1.38A 2q6kA-2za1A:
undetectable		 2q6kA-2za1A:
21.97
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.
2zs6 HEMAGGLUTININ
COMPONENTS HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 PHE A  91
TYR A 141
TYR A  68
PRO A  67
 None
 1.21A 2q6kA-2zs6A:
undetectable		 2q6kA-2zs6A:
18.82
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.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		4 PHE A 182
TYR A 192
PRO A 190
THR A 357
 FE2  A 452 ( 4.9A)
None
None
None
 1.49A 2q6kA-2zylA:
undetectable		 2q6kA-2zylA:
21.29
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 PHE A 153
PRO A 115
THR A 683
TRP A 107
 None
 1.45A 2q6kA-2zzgA:
2.0		 2q6kA-2zzgA:
17.18
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 4 ASP A 190
TYR A 188
PRO A 171
THR A 137
 MPD  A 404 (-3.1A)
None
None
None
 1.48A 2q6kA-3a71A:
undetectable		 2q6kA-3a71A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3apo DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin)
PF00226
(DnaJ) 		4 ASP A 694
PHE A 706
TYR A 743
PRO A 744
 None
 1.32A 2q6kA-3apoA:
undetectable		 2q6kA-3apoA:
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.
3aps DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin) 		4 ASP A 694
PHE A 706
TYR A 743
PRO A 744
 None
None
GOL  A 790 (-4.4A)
None
 1.29A 2q6kA-3apsA:
undetectable		 2q6kA-3apsA:
17.95
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.
3btu GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Saccharomyces
cerevisiae) 		PF01408
(GFO_IDH_MocA) 		4 PHE A 279
TYR A 185
THR A 209
TRP A 184
 None
 1.47A 2q6kA-3btuA:
undetectable		 2q6kA-3btuA:
21.15
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 ASP A 306
PHE A 196
TYR A  83
THR A 240
 AVD  A 833 ( 4.9A)
AVD  A 833 (-4.2A)
None
None
 1.39A 2q6kA-3cemA:
undetectable		 2q6kA-3cemA:
15.74
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A 125
PRO A 299
THR A 300
TRP A 302
 None
 1.18A 2q6kA-3ec7A:
undetectable		 2q6kA-3ec7A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		4 TYR B 101
TYR B 100
PRO B  53
TRP B  40
 None
 1.41A 2q6kA-3egwB:
undetectable		 2q6kA-3egwB:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ir8 LARGE STOKES SHIFT
FLUORESCENT PROTEIN

(Montipora sp.
20) 		PF01353
(GFP) 		4 PHE A 147
TYR A  78
TYR A 177
THR A 176
 None
 1.31A 2q6kA-3ir8A:
undetectable		 2q6kA-3ir8A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j9q SHEATH

(Pseudomonas
aeruginosa) 		PF04984
(Phage_sheath_1)
PF17482
(Phage_sheath_1C) 		4 ASP A 212
PHE A 208
THR A 286
TRP A 218
 None
 1.34A 2q6kA-3j9qA:
4.6		 2q6kA-3j9qA:
24.56
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.
3jb9 PRE-MRNA-SPLICING
FACTOR PRP5

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 ASP K 399
PHE K 368
TYR K 406
TRP K 153
 None
 1.30A 2q6kA-3jb9K:
undetectable		 2q6kA-3jb9K:
15.37
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.
3kd4 PUTATIVE PROTEASE

(Parabacteroides
distasonis) 		PF12969
(DUF3857)
PF12970
(DUF3858) 		4 ASP A 374
TYR A 332
PRO A 333
THR A 338
 None
 1.45A 2q6kA-3kd4A:
undetectable		 2q6kA-3kd4A:
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.
3kda CFTR INHIBITORY
FACTOR (CIF)

(Pseudomonas
aeruginosa) 		no annotation 4 ASP D  87
TYR D  38
TYR D  48
PRO D  86
 None
 1.41A 2q6kA-3kdaD:
2.2		 2q6kA-3kdaD:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kes NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF04096
(Nucleoporin2) 		4 PHE A 573
PRO A 593
THR A 597
TRP A 598
 None
EDO  A   7 ( 4.4A)
None
None
 1.47A 2q6kA-3kesA:
undetectable		 2q6kA-3kesA:
18.02
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.
3ks2 CHAPERONE PROTEIN
IPGC

(Shigella
flexneri) 		PF07720
(TPR_3) 		4 PHE A  97
TYR A  93
PRO A 106
THR A 110
 None
 1.38A 2q6kA-3ks2A:
undetectable		 2q6kA-3ks2A:
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.
3ozi L6TR

(Linum
usitatissimum) 		PF01582
(TIR) 		4 ASP A  71
TYR A 101
PRO A  45
THR A  47
 None
 1.21A 2q6kA-3oziA:
undetectable		 2q6kA-3oziA:
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.
3p0t UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF01230
(HIT) 		4 ASP A 104
PHE A  97
PRO A  98
THR A  77
 None
 1.48A 2q6kA-3p0tA:
undetectable		 2q6kA-3p0tA:
17.67
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.
3p5n RIBOFLAVIN UPTAKE
PROTEIN

(Staphylococcus
aureus) 		PF12822
(ECF_trnsprt) 		4 PHE A  95
TYR A 103
TYR A 100
THR A  55
 None
 1.49A 2q6kA-3p5nA:
undetectable		 2q6kA-3p5nA:
23.83
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.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		4 PHE A 285
TYR A  87
TYR A  36
THR A  65
 PHE  A 285 ( 1.3A)
TYR  A  87 ( 1.3A)
TYR  A  36 (-1.3A)
THR  A  65 ( 0.8A)
 1.28A 2q6kA-3pu5A:
undetectable		 2q6kA-3pu5A:
24.79
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 TYR A 164
PRO A  89
THR A  91
TRP A  87
 None
 1.50A 2q6kA-3q6vA:
undetectable		 2q6kA-3q6vA:
24.04
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.
3r0h INACTIVATION-NO-AFTE
R-POTENTIAL D
PROTEIN

(Drosophila
melanogaster) 		PF00595
(PDZ) 		4 PHE A 642
TYR A 521
PRO A 601
THR A 607
 DTT  A   5 ( 3.3A)
None
None
None
 1.20A 2q6kA-3r0hA:
undetectable		 2q6kA-3r0hA:
22.79
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 144
TYR A 137
PRO A 140
THR A 184
 EDO  A 303 (-2.8A)
EDO  A 303 (-4.5A)
None
None
 1.43A 2q6kA-3rjtA:
2.8		 2q6kA-3rjtA:
24.49
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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		4 ASP A 257
TYR A 254
PRO A 255
THR A 253
 None
 1.33A 2q6kA-3rq0A:
undetectable		 2q6kA-3rq0A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ASP A 341
PHE A 303
TYR A 352
THR A 349
 EDO  A 424 (-3.8A)
EDO  A 424 (-4.6A)
EDO  A 424 ( 4.8A)
None
 1.34A 2q6kA-3vabA:
undetectable		 2q6kA-3vabA:
23.16
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		4 ASP A 246
PHE A 286
PRO A 289
THR A 292
 None
 1.48A 2q6kA-3wflA:
undetectable		 2q6kA-3wflA:
21.37
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 PHE D  95
TYR D 145
TYR D  72
PRO D  71
 None
 1.35A 2q6kA-3winD:
undetectable		 2q6kA-3winD:
20.61
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 PHE A 558
TYR A 529
PRO A 564
THR A 226
 None
 1.49A 2q6kA-4aeeA:
undetectable		 2q6kA-4aeeA:
18.12
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.
4coy EPITHELIAL ADHESIN 6

([Candida]
glabrata) 		PF10528
(GLEYA) 		4 PHE A 111
TYR A 132
PRO A 127
THR A 125
 None
 1.49A 2q6kA-4coyA:
undetectable		 2q6kA-4coyA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Synechocystis
sp. PCC 6803) 		PF05996
(Fe_bilin_red) 		4 ASP A 119
TYR A 212
PRO A 122
THR A 123
 None
 1.28A 2q6kA-4eocA:
undetectable		 2q6kA-4eocA:
22.67
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		4 PHE A1044
TYR A1195
TYR A1196
PRO A1193
 None
A  E   5 ( 4.5A)
None
None
 1.32A 2q6kA-4f1nA:
undetectable		 2q6kA-4f1nA:
13.94
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.
4f3p GLUTAMINE-BINDING
PERIPLASMIC PROTEIN

(Burkholderia
pseudomallei) 		PF00497
(SBP_bac_3) 		4 ASP A 110
TYR A 109
TYR A 108
PRO A 107
 None
 1.36A 2q6kA-4f3pA:
undetectable		 2q6kA-4f3pA:
21.99
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.
4g2b SECRETED EFFECTOR
PROTEIN SSEI

(Salmonella
enterica) 		PF15645
(Tox-PLDMTX) 		4 PHE A 217
TYR A 270
TYR A 271
THR A 272
 None
 1.22A 2q6kA-4g2bA:
undetectable		 2q6kA-4g2bA:
19.50
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.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		4 ASP A 353
TYR A 457
PRO A 464
THR A 465
 None
 1.21A 2q6kA-4g3jA:
undetectable		 2q6kA-4g3jA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		4 ASP A 207
PHE A 361
PRO A 100
THR A 179
 None
 1.30A 2q6kA-4h18A:
2.7		 2q6kA-4h18A:
20.48
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR A 221
TYR A 218
PRO A 588
THR A 586
 None
None
SCN  A 711 ( 4.7A)
None
 1.31A 2q6kA-4l37A:
undetectable		 2q6kA-4l37A:
16.32
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.
4lo6 HA-70

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 PHE A  95
TYR A 145
TYR A  72
PRO A  71
 None
 1.27A 2q6kA-4lo6A:
undetectable		 2q6kA-4lo6A:
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.
4n2r ALPHA-L-ARABINOFURAN
OSIDASE UMABF62A

(Ustilago maydis) 		PF03664
(Glyco_hydro_62) 		4 ASP A  36
PHE A  37
TYR A  58
TYR A  52
 FUB  A 402 ( 2.8A)
None
FUB  A 402 ( 3.8A)
None
 1.21A 2q6kA-4n2rA:
undetectable		 2q6kA-4n2rA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n31 SIPA

(Streptococcus
pyogenes) 		PF10502
(Peptidase_S26) 		4 PHE A 127
TYR A 119
PRO A 120
THR A 118
 None
 1.42A 2q6kA-4n31A:
undetectable		 2q6kA-4n31A:
20.35
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		4 TYR X  56
TYR X  57
PRO X  58
TRP X  37
 None
 1.15A 2q6kA-4n5iX:
undetectable		 2q6kA-4n5iX:
23.01
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ASP A 706
PHE A 748
PRO A 710
THR A 712
 None
 1.40A 2q6kA-4nenA:
undetectable		 2q6kA-4nenA:
13.42
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		4 ASP A 214
TYR A 213
THR A 262
TRP A 349
 None
 1.40A 2q6kA-4q6tA:
undetectable		 2q6kA-4q6tA:
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.
4wm0 XYLOSIDE
XYLOSYLTRANSFERASE 1

(Mus musculus) 		PF01501
(Glyco_transf_8) 		4 ASP A 201
PHE A 204
TYR A 198
TYR A 199
 None
 1.50A 2q6kA-4wm0A:
undetectable		 2q6kA-4wm0A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x4y HUMAN VARIABLE HEAVY
CHAIN OF HERCEPTIN

(Homo sapiens) 		PF07686
(V-set) 		4 TYR A  57
TYR A  52
PRO A  53
THR A  54
 None
 1.27A 2q6kA-4x4yA:
undetectable		 2q6kA-4x4yA:
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.
4xoh DIVISION MAL FOUTUE
1 PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 ASP C  63
PHE C  66
PRO C  37
THR C  38
 None
 1.46A 2q6kA-4xohC:
undetectable		 2q6kA-4xohC:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyb FORMATE
DEHYDROGENASE

(Granulicella
mallensis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 TYR A 382
TYR A 259
PRO A 260
THR A 262
 None
NDP  A 401 (-4.7A)
None
NDP  A 401 (-4.4A)
 1.03A 2q6kA-4xybA:
undetectable		 2q6kA-4xybA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9t ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 PHE A  94
TYR A 168
PRO A 167
THR A 169
 None
PA1  A 401 (-3.1A)
None
None
 1.25A 2q6kA-4y9tA:
3.8		 2q6kA-4y9tA:
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.
4yqx JES6-1 VH DOMAIN
JES6-1 VL DOMAIN

(Rattus
norvegicus) 		PF07686
(V-set) 		4 PHE H 111
TYR L  58
PRO H 110
TRP L  44
 None
 1.41A 2q6kA-4yqxH:
undetectable		 2q6kA-4yqxH:
17.16
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.
4yx8 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		4 ASP A  81
PHE A 113
TYR A  82
PRO A 112
 None
 1.46A 2q6kA-4yx8A:
undetectable		 2q6kA-4yx8A:
23.63
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.
5b3n ANTI-H4K20ME1_SCFV

(Mus musculus) 		PF07686
(V-set) 		4 ASP A 236
TYR A  61
TYR A  62
PRO A  63
 None
 1.35A 2q6kA-5b3nA:
undetectable		 2q6kA-5b3nA:
22.71
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		4 ASP A  60
TYR A  15
PRO A  16
THR A  14
 None
None
None
ANP  A 301 (-4.1A)
 1.21A 2q6kA-5d3mA:
undetectable		 2q6kA-5d3mA:
25.65
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 433
PHE A 432
TYR A 413
THR A 369
 None
 1.40A 2q6kA-5fr8A:
undetectable		 2q6kA-5fr8A:
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.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		4 PHE A  48
TYR A 245
PRO A 182
THR A 180
 None
 1.08A 2q6kA-5hw3A:
undetectable		 2q6kA-5hw3A:
22.93
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		4 PHE A  22
TYR A  91
PRO A  90
TRP A  92
 None
 1.38A 2q6kA-5i3aA:
undetectable		 2q6kA-5i3aA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 ASP A 301
PHE A  85
PRO A  51
THR A  54
 None
 1.39A 2q6kA-5ipwA:
undetectable		 2q6kA-5ipwA:
19.64
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.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE

(Plasmodium
falciparum) 		PF07992
(Pyr_redox_2) 		4 PHE A 465
PRO A 432
THR A 433
TRP A 469
 None
 1.37A 2q6kA-5jwbA:
undetectable		 2q6kA-5jwbA:
18.22
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 4 TYR B 908
TYR B 802
PRO B 803
THR B 801
 None
 1.46A 2q6kA-5kdjB:
undetectable		 2q6kA-5kdjB:
16.91
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 TYR A 908
TYR A 802
PRO A 803
THR A 801
 None
 1.44A 2q6kA-5kdsA:
undetectable		 2q6kA-5kdsA:
22.31
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		4 PHE A 526
TYR A 544
PRO A 523
THR A 517
 None
 1.43A 2q6kA-5kkbA:
undetectable		 2q6kA-5kkbA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		4 ASP A  16
TYR A  77
PRO A  78
THR A  80
 None
CL  A 302 ( 4.6A)
CL  A 302 ( 3.7A)
None
 0.32A 2q6kA-5lmzA:
32.1		 2q6kA-5lmzA:
38.36
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.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		4 ASP A 296
PHE A  26
TYR A  28
PRO A  27
 None
 1.29A 2q6kA-5lx0A:
undetectable		 2q6kA-5lx0A:
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 PHE A 144
TYR A 248
PRO A 247
TRP A 249
 None
 1.50A 2q6kA-5m8tA:
undetectable		 2q6kA-5m8tA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz9 -

(-) 		no annotation 4 PHE A  43
TYR A  40
PRO A  42
THR A  27
 None
 1.47A 2q6kA-5mz9A:
undetectable		 2q6kA-5mz9A:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A  26
TYR A  27
PRO A  43
THR A  39
 None
 1.29A 2q6kA-5olsA:
undetectable		 2q6kA-5olsA:
20.99
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.
5t2u OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 ASP A 234
TYR A 232
PRO A 177
THR A 133
 None
None
NAP  A 301 (-4.0A)
None
 1.49A 2q6kA-5t2uA:
undetectable		 2q6kA-5t2uA:
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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		4 PHE R 269
TYR R 228
PRO R 273
THR R 275
 None
 1.28A 2q6kA-5uz7R:
undetectable		 2q6kA-5uz7R:
19.61
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.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 ASP C 122
PHE C 116
TYR C 254
THR C 255
 None
 1.17A 2q6kA-5v6nC:
undetectable		 2q6kA-5v6nC:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 ASP A 206
TYR A 173
PRO A 176
TRP A 389
 None
 1.43A 2q6kA-5w3fA:
undetectable		 2q6kA-5w3fA:
20.39
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 PHE A 113
TYR A 103
THR A 120
TRP A  79
 None
 1.17A 2q6kA-6aphA:
2.3		 2q6kA-6aphA:
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.
6b20 GUANINE
NUCLEOTIDE-BINDING
PROTEIN
G(I)/G(S)/G(T)
SUBUNIT BETA-1

(Bos taurus) 		no annotation 4 ASP A 154
PHE A 151
PRO A 107
THR A  65
 None
 1.38A 2q6kA-6b20A:
undetectable		 2q6kA-6b20A:
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.
6gbn -

(-) 		no annotation 4 PHE A 111
TYR A 101
THR A 118
TRP A  77
 None
 1.17A 2q6kA-6gbnA:
2.7		 2q6kA-6gbnA:
undetectable