SIMILAR PATTERNS OF AMINO ACIDS FOR 2AA5_B_STRB302_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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 LEU A  98
GLN A 241
SER A 185
LEU A 182
MET A 195
 None
 1.37A 2aa5B-1gz0A:
undetectable		 2aa5B-1gz0A:
21.81
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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 349
ALA A 350
LEU A 391
ARG A 394
MET A 421
 EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
 0.57A 2aa5B-1pcgA:
26.8		 2aa5B-1pcgA:
27.56
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.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
LEU A 221
ALA A 222
LEU A 176
ARG A   3
 None
 1.30A 2aa5B-1r6mA:
undetectable		 2aa5B-1r6mA:
22.38
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 LEU A 472
ASN A 469
ALA A 497
LEU A  97
THR A 519
 None
 1.26A 2aa5B-1x87A:
undetectable		 2aa5B-1x87A:
18.05
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 LEU A 108
LEU A  90
ALA A 311
SER A  84
THR A 302
 None
 1.44A 2aa5B-1z3zA:
undetectable		 2aa5B-1z3zA:
22.85
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 158
LEU A  71
ALA A  70
LEU A  14
THR A 126
 None
 1.44A 2aa5B-2ag1A:
undetectable		 2aa5B-2ag1A:
20.60
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.
2am2 UDP-N-ACETYLMURAMOYL
ALANINE-D-GLUTAMYL-L
YSINE-D-ALANYL-D-ALA
NINE LIGASE, MURF
PROTEIN

(Streptococcus
pneumoniae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 157
LEU A 118
ALA A 119
SER A 123
THR A 144
 None
 0.97A 2aa5B-2am2A:
undetectable		 2aa5B-2am2A:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 701
ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
MET A 780
 None
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
 0.68A 2aa5B-2ax9A:
35.4		 2aa5B-2ax9A:
48.55
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.
2b8n GLYCERATE KINASE,
PUTATIVE

(Thermotoga
maritima) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 LEU A 329
ASN A 326
LEU A 399
ALA A 360
THR A 313
 None
 1.31A 2aa5B-2b8nA:
undetectable		 2aa5B-2b8nA:
20.74
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 253
ASN A 271
LEU A 269
ALA A 298
ARG A  81
 None
 1.28A 2aa5B-2dpnA:
undetectable		 2aa5B-2dpnA:
19.36
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A 161
ALA A 158
GLN A 168
SER A 154
LEU A  44
 None
 1.38A 2aa5B-2e4uA:
undetectable		 2aa5B-2e4uA:
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.
2gks BIFUNCTIONAL SAT/APS
KINASE

(Aquifex
aeolicus) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 LEU A 108
ALA A 269
GLN A 170
LEU A 237
ARG A 254
 None
ADP  A 902 (-4.4A)
ADP  A 902 (-3.6A)
None
None
 1.35A 2aa5B-2gksA:
undetectable		 2aa5B-2gksA:
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 265
LEU A 271
ALA A 272
MET A 306
ARG A 316
 None
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
 0.47A 2aa5B-2gpvA:
25.6		 2aa5B-2gpvA:
26.98
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.
2k5e UNCHARACTERIZED
PROTEIN

(Methanocaldococcus
jannaschii) 		PF08984
(DUF1858) 		5 LEU A  58
ASN A  62
LEU A  64
ALA A  65
MET A   9
 None
 1.11A 2aa5B-2k5eA:
undetectable		 2aa5B-2k5eA:
12.36
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 LEU A 790
LEU A 787
LEU A 809
MET A 693
THR A 716
 None
 1.41A 2aa5B-2oajA:
undetectable		 2aa5B-2oajA:
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.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 349
ALA A 350
LEU A 391
ARG A 394
MET A 421
 EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
 0.56A 2aa5B-2ocfA:
28.0		 2aa5B-2ocfA:
27.16
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.
2oez UPF0289 PROTEIN
VP2528

(Vibrio
parahaemolyticus) 		PF07072
(ZapD) 		5 LEU A 144
LEU A 138
ALA A 137
SER A 119
LEU A 117
 None
 1.20A 2aa5B-2oezA:
undetectable		 2aa5B-2oezA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  28
LEU A  35
GLN A  39
LEU A  77
ARG A  80
 None
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 1.28A 2aa5B-2q3yA:
38.6		 2aa5B-2q3yA:
68.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		11 LEU A  29
ASN A  33
LEU A  35
ALA A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
CYH A 205
THR A 208
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
 0.40A 2aa5B-2q3yA:
38.6		 2aa5B-2q3yA:
68.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  29
ASN A  33
LEU A  90
CYH A 205
THR A 208
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
None
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
 1.30A 2aa5B-2q3yA:
38.6		 2aa5B-2q3yA:
68.73
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.
2ras TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Novosphingobium
aromaticivorans) 		PF00440
(TetR_N) 		5 LEU A 134
ASN A 160
LEU A 158
MET A  87
CYH A 167
 None
EDO  A 216 ( 4.0A)
None
None
EDO  A 216 (-4.3A)
 1.40A 2aa5B-2rasA:
undetectable		 2aa5B-2rasA:
21.38
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		5 LEU A 190
ASN A 194
LEU A 196
ALA A 197
SER A 236
 None
None
None
None
VDX  A 501 (-3.3A)
 1.17A 2aa5B-2zbzA:
undetectable		 2aa5B-2zbzA:
21.08
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 LEU A 772
ASN A 775
LEU A 779
ALA A 778
SER A 875
 None
 1.28A 2aa5B-3a6pA:
undetectable		 2aa5B-3a6pA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 LEU A 196
ALA A 220
SER A 216
LEU A 214
THR A 239
 None
 1.23A 2aa5B-3ab4A:
undetectable		 2aa5B-3ab4A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 LEU A  70
ALA A 192
ARG B  79
CYH A  78
THR A  76
 None
 1.38A 2aa5B-3al0A:
undetectable		 2aa5B-3al0A:
20.12
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.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		5 LEU A 164
ALA A 168
LEU A 204
ARG A  26
MET A  90
 None
 1.42A 2aa5B-3dmpA:
undetectable		 2aa5B-3dmpA:
21.63
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.
3edi TOLLOID-LIKE PROTEIN
1

(Homo sapiens) 		PF01400
(Astacin) 		5 LEU A 193
MET A 147
SER A 145
LEU A 182
THR A   3
 None
None
ZN  A 211 ( 4.6A)
None
None
 1.39A 2aa5B-3ediA:
undetectable		 2aa5B-3ediA:
21.79
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 ALA A 168
LEU A 189
ARG A 247
MET A 181
THR A 144
 None
None
None
None
GOL  A 360 (-2.8A)
 1.42A 2aa5B-3f0hA:
undetectable		 2aa5B-3f0hA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 715
ASN A 719
LEU A 721
MET A 756
LEU A 763
ARG A 766
CYH A 891
THR A 894
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.46A 2aa5B-3kbaA:
35.4		 2aa5B-3kbaA:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 721
GLN A 725
MET A 756
LEU A 763
ARG A 766
CYH A 891
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-3.5A)
 0.77A 2aa5B-3kbaA:
35.4		 2aa5B-3kbaA:
52.36
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.
3kxw SAFRAMYCIN MX1
SYNTHETASE B

(Legionella
pneumophila) 		PF00501
(AMP-binding) 		5 LEU A 248
ASN A 246
LEU A 244
MET A 238
SER A 239
 None
 1.44A 2aa5B-3kxwA:
undetectable		 2aa5B-3kxwA:
19.83
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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ASN A 167
LEU A 169
ALA A 166
GLN A 176
LEU A  54
 None
 1.15A 2aa5B-3mq4A:
undetectable		 2aa5B-3mq4A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A 169
ALA A 166
GLN A 176
SER A 162
LEU A  54
 None
 1.37A 2aa5B-3mq4A:
undetectable		 2aa5B-3mq4A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nym UNCHARACTERIZED
PROTEIN

(Neisseria
meningitidis) 		no annotation 5 ASN A  76
LEU A  72
ALA A  71
SER A  83
LEU A  84
 SO4  A 128 ( 3.5A)
None
PEG  A 127 ( 4.2A)
None
None
 1.30A 2aa5B-3nymA:
undetectable		 2aa5B-3nymA:
18.75
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN

(Homo sapiens) 		PF04389
(Peptidase_M28) 		5 LEU X 195
LEU X  88
ALA X 200
LEU X 376
THR X 122
 None
 1.45A 2aa5B-3pb9X:
undetectable		 2aa5B-3pb9X:
24.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		5 LEU A  28
LEU A  35
GLN A  39
LEU A  77
ARG A  80
 None
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
 1.32A 2aa5B-3ry9A:
37.6		 2aa5B-3ry9A:
65.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		10 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
CYH A 205
THR A 208
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
 0.33A 2aa5B-3ry9A:
37.6		 2aa5B-3ry9A:
65.93
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A 136
ALA A 133
GLN A 143
SER A 129
LEU A  19
 None
 1.39A 2aa5B-3sm9A:
undetectable		 2aa5B-3sm9A:
20.63
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.
3u3y THREE PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 5 LEU B 121
LEU B  37
ALA B  38
LEU B  44
THR B 150
 None
 1.36A 2aa5B-3u3yB:
undetectable		 2aa5B-3u3yB:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 LEU A 359
ASN A 431
LEU A 433
ALA A 430
LEU A 400
 None
 1.41A 2aa5B-3zbmA:
undetectable		 2aa5B-3zbmA:
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 LEU A 357
ALA A 358
LEU A 263
ARG A 193
THR A 369
 None
None
FAD  A1509 (-4.4A)
None
None
 1.41A 2aa5B-3zxsA:
undetectable		 2aa5B-3zxsA:
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.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		5 LEU V 243
ASN V 233
LEU V 231
ALA V 234
LEU V 213
 None
 1.35A 2aa5B-4a2iV:
undetectable		 2aa5B-4a2iV:
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.
4am9 CHAPERONE SYCD

(Yersinia
enterocolitica) 		PF07720
(TPR_3) 		5 LEU A  36
LEU A  42
ALA A  43
GLN A  46
CYH A  63
 None
 0.81A 2aa5B-4am9A:
undetectable		 2aa5B-4am9A:
23.19
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 LEU A  74
ALA B 308
MET B 333
LEU B 313
THR B 433
 None
NAG  A3020 ( 4.0A)
S35  A1259 ( 3.9A)
None
None
 1.36A 2aa5B-4az3A:
undetectable		 2aa5B-4az3A:
22.40
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.
4dam SINGLE-STRANDED
DNA-BINDING PROTEIN
1

(Streptomyces
coelicolor) 		PF00436
(SSB) 		5 ASN A  58
LEU A  61
ALA A  62
SER A  66
LEU A  69
 None
 1.13A 2aa5B-4damA:
undetectable		 2aa5B-4damA:
19.06
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		5 LEU A  33
LEU A  12
MET A  41
CYH A  79
THR A  82
 None
 1.44A 2aa5B-4dapA:
undetectable		 2aa5B-4dapA:
21.65
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 324
LEU A 330
ALA A 331
GLN A 337
ARG A 341
 None
 1.13A 2aa5B-4fdhA:
undetectable		 2aa5B-4fdhA:
21.14
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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 LEU A  59
LEU A  62
ALA A  98
LEU A 132
THR A 117
 None
C8E  A 502 ( 4.3A)
C8E  A 502 ( 3.8A)
None
None
 1.30A 2aa5B-4frxA:
undetectable		 2aa5B-4frxA:
22.35
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.
4gq1 NUP37

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 LEU A  74
LEU A 114
GLN A 156
SER A  79
THR A  21
 None
 1.37A 2aa5B-4gq1A:
undetectable		 2aa5B-4gq1A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrf PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
ovatus) 		PF15495
(Fimbrillin_C) 		5 ASN A 242
LEU A 241
ALA A 240
LEU A 470
THR A 486
 None
 1.34A 2aa5B-4jrfA:
undetectable		 2aa5B-4jrfA:
18.73
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.
4lgi UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF13678
(Peptidase_M85) 		5 LEU A 236
ASN A 240
ALA A 243
GLN A 246
SER A 171
 None
 1.42A 2aa5B-4lgiA:
undetectable		 2aa5B-4lgiA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 298
LEU A 347
ALA A 346
SER A 344
LEU A 342
 None
 1.13A 2aa5B-4m7eA:
undetectable		 2aa5B-4m7eA:
16.62
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.
4mz9 SINGLE-STRANDED
DNA-BINDING PROTEIN

(Escherichia
coli) 		PF00436
(SSB) 		5 ASN A  31
LEU A  59
ALA A  30
SER A  68
LEU A  71
 None
 1.41A 2aa5B-4mz9A:
undetectable		 2aa5B-4mz9A:
18.77
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 280
LEU A 286
ALA A 287
MET A 321
ARG A 331
MET A 358
 None
 0.71A 2aa5B-4n1yA:
28.1		 2aa5B-4n1yA:
27.68
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.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 ASN A 216
GLN A 239
SER A 182
LEU A 186
THR A 202
 DAL  A 403 (-3.0A)
None
None
None
None
 1.45A 2aa5B-4n8gA:
undetectable		 2aa5B-4n8gA:
24.33
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.
4o2i NON-LEE ENCODED TYPE
III EFFECTOR C

(Citrobacter
rodentium) 		PF13678
(Peptidase_M85) 		5 LEU A 236
ASN A 240
ALA A 243
GLN A 246
SER A 171
 None
 1.24A 2aa5B-4o2iA:
undetectable		 2aa5B-4o2iA:
21.57
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ALA A  83
GLN A  84
SER A  87
LEU A  88
THR A 155
 None
 1.41A 2aa5B-4o6rA:
undetectable		 2aa5B-4o6rA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE

(Mycobacterium
tuberculosis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ASN A 181
LEU A 183
ALA A 184
MET A 243
SER A 194
 OXM  A 302 (-3.2A)
None
None
None
None
 0.90A 2aa5B-4ol9A:
undetectable		 2aa5B-4ol9A:
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 LEU B 250
LEU B 230
ALA B 231
SER B 235
THR B 203
 None
 1.08A 2aa5B-4ov6B:
undetectable		 2aa5B-4ov6B:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 564
LEU A 566
GLN A 570
MET A 601
LEU A 608
ARG A 611
CYH A 736
THR A 739
 MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
 0.45A 2aa5B-4p6wA:
34.7		 2aa5B-4p6wA:
56.15
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.
4s1v D-3-PHOSPHOGLYCERATE
DEHYDROGENASE-RELATE
D PROTEIN

(Vibrio cholerae) 		no annotation 5 ALA D 202
MET D 227
SER D 231
LEU D 232
ARG D 142
 None
 1.31A 2aa5B-4s1vD:
undetectable		 2aa5B-4s1vD:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 LEU A 766
ASN A 770
LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
CYH A 942
THR A 945
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 0.33A 2aa5B-4udbA:
36.5		 2aa5B-4udbA:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 766
ASN A 770
LEU A 827
CYH A 942
THR A 945
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
None
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 1.25A 2aa5B-4udbA:
36.5		 2aa5B-4udbA:
90.91
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.
4ynq THREE-PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 5 LEU A 121
LEU A  37
ALA A  38
LEU A  44
THR A 150
 None
 1.39A 2aa5B-4ynqA:
undetectable		 2aa5B-4ynqA:
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ASN A 168
LEU A 170
LEU A 128
ARG A 151
THR A 163
 None
 1.17A 2aa5B-4yw5A:
undetectable		 2aa5B-4yw5A:
19.34
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.
4zdt STRUCTURE-SPECIFIC
ENDONUCLEASE SUBUNIT
SLX1

(Schizosaccharomyces
pombe) 		no annotation 5 ASN A 205
LEU A 207
ALA A 194
CYH A 228
THR A 229
 None
None
None
ZN  A 302 (-2.3A)
None
 1.17A 2aa5B-4zdtA:
undetectable		 2aa5B-4zdtA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 163
LEU A  71
ALA A  70
LEU A  11
THR A 131
 None
 1.40A 2aa5B-5ahkA:
undetectable		 2aa5B-5ahkA:
18.40
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 LEU A 132
ASN A 129
LEU A 113
ALA A 114
LEU A 324
 None
 1.35A 2aa5B-5aw4A:
undetectable		 2aa5B-5aw4A:
14.68
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A 155
ALA A 152
GLN A 162
SER A 148
LEU A  37
 None
 1.39A 2aa5B-5cniA:
undetectable		 2aa5B-5cniA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 ASN B 155
LEU B 157
ALA B 154
GLN B 164
LEU B  37
 None
 1.16A 2aa5B-5fbhB:
undetectable		 2aa5B-5fbhB:
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 LEU A 351
ASN A 348
LEU A 344
ALA A 345
LEU A 302
 None
 1.40A 2aa5B-5h7dA:
undetectable		 2aa5B-5h7dA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ASN A 155
LEU A 157
ALA A 154
GLN A 164
LEU A  37
 None
 1.23A 2aa5B-5k5tA:
undetectable		 2aa5B-5k5tA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 104
LEU A 164
ALA A 167
GLN A  96
SER A  94
 None
None
SO4  A2008 ( 3.8A)
None
SO4  A2008 (-2.7A)
 1.41A 2aa5B-5kf7A:
undetectable		 2aa5B-5kf7A:
12.22
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ASN A 153
LEU A 155
ALA A 152
GLN A 162
LEU A  37
 None
 1.11A 2aa5B-5kznA:
undetectable		 2aa5B-5kznA:
19.51
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A 155
ALA A 152
GLN A 162
SER A 148
LEU A  37
 None
 1.36A 2aa5B-5kznA:
undetectable		 2aa5B-5kznA:
19.51
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 LEU A 459
ASN A 464
LEU A 462
ALA A 463
LEU A 357
 None
 1.30A 2aa5B-5l56A:
undetectable		 2aa5B-5l56A:
12.29
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF06444
(NADH_dehy_S2_C) 		5 LEU M 126
LEU N 257
MET N 294
LEU N 245
THR M 153
 None
 1.39A 2aa5B-5lc5M:
undetectable		 2aa5B-5lc5M:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 765
LEU A 772
GLN A 776
LEU A 814
ARG A 817
 None
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 1.29A 2aa5B-5mwpA:
39.3		 2aa5B-5mwpA:
72.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 12 LEU A 766
ASN A 770
LEU A 772
ALA A 773
GLN A 776
MET A 807
SER A 810
LEU A 814
ARG A 817
MET A 845
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-3.4A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 0.50A 2aa5B-5mwpA:
39.3		 2aa5B-5mwpA:
72.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 766
ASN A 770
LEU A 827
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 1.33A 2aa5B-5mwpA:
39.3		 2aa5B-5mwpA:
72.29
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		5 LEU 11108
MET 11038
SER 11042
LEU 11073
MET 11112
 None
 1.37A 2aa5B-5mz61:
undetectable		 2aa5B-5mz61:
12.43
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.
5nci LEUCINE HYDROXYLASE

(Streptomyces
muensis) 		PF05721
(PhyH) 		5 LEU A 223
ASN A  97
LEU A  58
ALA A  57
ARG A  64
 AKG  A 302 ( 4.8A)
AKG  A 302 (-3.3A)
None
None
None
 1.38A 2aa5B-5nciA:
undetectable		 2aa5B-5nciA:
22.48
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 301
ALA A 302
MET A 336
LEU A 343
ARG A 346
 EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.34A 2aa5B-5toaA:
25.2		 2aa5B-5toaA:
28.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 6 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.74A 2aa5B-5uc1A:
23.0		 2aa5B-5uc1A:
53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 ASN A  33
LEU A  35
ARG A  80
MET A 108
THR A 208
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 (-3.0A)
 1.06A 2aa5B-5ufsA:
36.5		 2aa5B-5ufsA:
59.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
CYH A 205
THR A 208
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
 0.41A 2aa5B-5ufsA:
36.5		 2aa5B-5ufsA:
59.56
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.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 LEU F 257
LEU F 249
ALA F 291
LEU F 296
THR F 260
 None
 1.28A 2aa5B-5uhdF:
undetectable		 2aa5B-5uhdF:
21.93
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.
5vf6 SINGLE CHAIN
VARIABLE FRAGMENT

(Gallus gallus) 		no annotation 5 LEU A 209
ALA A 140
GLN A 135
SER A 142
LEU A 143
 None
 1.46A 2aa5B-5vf6A:
undetectable		 2aa5B-5vf6A:
16.94
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 LEU A  63
LEU A 114
ALA A 113
SER A 109
LEU A 107
 None
 1.25A 2aa5B-5xaoA:
undetectable		 2aa5B-5xaoA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xi0 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aliivibrio
fischeri) 		no annotation 5 LEU A 316
LEU A 309
GLN A 305
SER A  56
MET A 134
 None
 1.14A 2aa5B-5xi0A:
undetectable		 2aa5B-5xi0A:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 5 LEU A 204
LEU A 166
GLN A  10
LEU A  73
THR A 202
 None
NAD  A 402 (-3.8A)
NAD  A 402 (-3.8A)
AKB  A 401 (-4.1A)
None
 1.45A 2aa5B-5y1gA:
undetectable		 2aa5B-5y1gA:
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.
5y96 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR1

(Arabidopsis
thaliana) 		no annotation 5 LEU B 389
ASN B 390
LEU B 252
GLN B 315
MET B 374
 None
 1.46A 2aa5B-5y96B:
undetectable		 2aa5B-5y96B:
15.94
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 ASN A 164
LEU A 166
ALA A 163
GLN A 173
LEU A  51
 None
 1.10A 2aa5B-6bszA:
undetectable		 2aa5B-6bszA:
14.62
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 LEU A 166
ALA A 163
GLN A 173
SER A 159
LEU A  51
 None
 1.35A 2aa5B-6bszA:
undetectable		 2aa5B-6bszA:
14.62
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.
6btp -

(-) 		no annotation 5 LEU A 196
MET A 150
SER A 148
LEU A 185
THR A   3
 None
None
ZN  A 303 ( 4.5A)
None
None
 1.42A 2aa5B-6btpA:
undetectable		 2aa5B-6btpA:
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.
6el8 FORKHEAD BOX PROTEIN
N1

(Homo sapiens) 		no annotation 5 LEU A 322
ASN A 321
LEU A 278
MET A 354
CYH A 327
 None
 1.26A 2aa5B-6el8A:
undetectable		 2aa5B-6el8A:
16.67
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A1627
ASN A1631
LEU A1633
LEU A1611
THR A1774
 None
 1.36A 2aa5B-6ez8A:
undetectable		 2aa5B-6ez8A:
11.40
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A2141
LEU A2147
SER A2158
MET A2131
THR A2168
 None
 1.31A 2aa5B-6ez8A:
undetectable		 2aa5B-6ez8A:
11.40
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.
6f9s PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX6

(Homo sapiens) 		no annotation 5 LEU A 350
ALA A 351
SER A 355
LEU A 357
CYH A 385
 None
 1.33A 2aa5B-6f9sA:
undetectable		 2aa5B-6f9sA:
16.93
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.
6gdt -

(-) 		no annotation 5 LEU A   2
LEU A 482
ALA A  18
GLN A  17
THR A  83
 None
 1.41A 2aa5B-6gdtA:
undetectable		 2aa5B-6gdtA:
undetectable