SIMILAR PATTERNS OF AMINO ACIDS FOR 2AA6_B_STRB402_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.
1atg PERIPLASMIC
MOLYBDATE-BINDING
PROTEIN

(Azotobacter
vinelandii) 		PF13531
(SBP_bac_11) 		5 ASN A  10
LEU A 166
ALA A 167
LEU A  18
THR A   7
 WO4  A 250 ( 3.7A)
None
None
None
None
 1.47A 2aa6B-1atgA:
undetectable		 2aa6B-1atgA:
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASN B 200
ALA B 230
LEU B 235
MET B 270
THR B 170
 KCX  B 219 ( 4.2A)
None
None
None
None
 1.39A 2aa6B-1e9yB:
undetectable		 2aa6B-1e9yB:
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.
1gvh FLAVOHEMOPROTEIN

(Escherichia
coli) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASN A  59
ALA A  63
LEU A 127
LEU A 102
THR A  25
 None
None
HEM  A1398 (-4.1A)
None
None
 1.48A 2aa6B-1gvhA:
undetectable		 2aa6B-1gvhA:
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 LEU A  64
ALA A  59
LEU A  99
MET A  47
LEU A   7
 None
 1.38A 2aa6B-1ikpA:
undetectable		 2aa6B-1ikpA:
18.36
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.
1ni6 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 LEU A 129
MET A 186
MET A 191
LEU A  13
THR A  21
 None
 1.35A 2aa6B-1ni6A:
undetectable		 2aa6B-1ni6A:
20.80
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.
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)
 0.55A 2aa6B-1pcgA:
27.0		 2aa6B-1pcgA:
27.92
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASN A 748
LEU A 745
ALA A 752
LEU A 499
MET A 359
 None
 1.19A 2aa6B-1rrhA:
undetectable		 2aa6B-1rrhA:
15.81
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) 		8 ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
MET A 780
MET A 787
LEU A 873
 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)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.4A)
 0.77A 2aa6B-2ax9A:
35.6		 2aa6B-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.
2bmm THERMOSTABLE
HEMOGLOBIN FROM
THERMOBIFIDA FUSCA

(Thermobifida
fusca) 		PF01152
(Bac_globin) 		5 ALA A  50
MET A 123
LEU A 130
ARG A  48
LEU A 144
 None
 1.48A 2aa6B-2bmmA:
undetectable		 2aa6B-2bmmA:
17.82
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 ALA A  43
LEU A  80
MET A 521
MET A  65
LEU A 575
 None
 1.44A 2aa6B-2d0vA:
undetectable		 2aa6B-2d0vA:
19.21
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 LEU B 503
ALA B 508
MET A 326
LEU B 492
THR B 467
 None
 1.45A 2aa6B-2e0xB:
undetectable		 2aa6B-2e0xB:
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 LEU X  87
ALA X 394
LEU X 111
MET X 107
LEU X 387
 None
 1.38A 2aa6B-2epkX:
undetectable		 2aa6B-2epkX:
18.01
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASN A 505
LEU A 584
ALA A 555
LEU A 629
LEU A 700
 None
 1.18A 2aa6B-2f57A:
undetectable		 2aa6B-2f57A:
22.06
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.
2ju1 ERYTHRONOLIDE
SYNTHASE

(Saccharopolyspora
erythraea) 		PF00550
(PP-binding) 		5 ALA A  66
LEU A   9
ARG A   6
LEU A  21
THR A  27
 None
 1.45A 2aa6B-2ju1A:
undetectable		 2aa6B-2ju1A:
17.36
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.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		5 LEU A 168
ALA A 167
MET A 204
LEU A 185
THR A 192
 None
 1.47A 2aa6B-2nvoA:
undetectable		 2aa6B-2nvoA:
19.32
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.
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)
 0.57A 2aa6B-2ocfA:
28.1		 2aa6B-2ocfA:
27.48
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) 		12 ASN A  33
LEU A  35
ALA A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
MET A 115
LEU A 201
CYH A 205
THR A 208
 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 ( 3.7A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
 0.35A 2aa6B-2q3yA:
38.4		 2aa6B-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.
2vpw NRFC PROTEIN

(Thermus
thermophilus) 		PF13247
(Fer4_11) 		5 LEU B 175
GLN B  57
ARG B 140
LEU B 123
THR B  78
 None
SF4  B1195 (-4.0A)
SF4  B1194 (-4.7A)
None
None
 1.40A 2aa6B-2vpwB:
undetectable		 2aa6B-2vpwB:
19.73
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		5 ASN A 178
ALA A 179
GLN A 183
ARG A 189
LEU A  90
 None
 1.50A 2aa6B-2z3tA:
undetectable		 2aa6B-2z3tA:
20.51
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.
2zcv UNCHARACTERIZED
OXIDOREDUCTASE YTFG

(Escherichia
coli) 		PF05368
(NmrA) 		5 ASN A  89
LEU A  59
ALA A  90
LEU A  71
LEU A 125
 None
 1.40A 2aa6B-2zcvA:
undetectable		 2aa6B-2zcvA:
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		5 ALA A 327
LEU A  69
MET A 284
MET A  71
THR A 235
 None
 1.38A 2aa6B-3d3aA:
undetectable		 2aa6B-3d3aA:
18.08
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.
3f7o SERINE PROTEASE

(Purpureocillium
lilacinum) 		PF00082
(Peptidase_S8) 		5 ASN A 133
ALA A 159
LEU A 252
LEU A 236
THR A  79
 None
 1.36A 2aa6B-3f7oA:
undetectable		 2aa6B-3f7oA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 LEU A  34
ALA A  39
LEU A 246
LEU A   8
THR A 208
 None
 1.28A 2aa6B-3hpdA:
undetectable		 2aa6B-3hpdA:
22.22
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) 		9 ASN A 719
LEU A 721
MET A 756
LEU A 763
ARG A 766
MET A 801
LEU A 887
CYH A 891
THR A 894
 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 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.56A 2aa6B-3kbaA:
35.3		 2aa6B-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) 		8 LEU A 721
GLN A 725
MET A 756
LEU A 763
ARG A 766
MET A 801
LEU A 887
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 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
 0.77A 2aa6B-3kbaA:
35.3		 2aa6B-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.
3lou FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Burkholderia
mallei) 		PF00551
(Formyl_trans_N) 		5 ALA A  24
LEU A  29
ARG A  32
MET A  84
LEU A  12
 None
 1.43A 2aa6B-3louA:
undetectable		 2aa6B-3louA:
20.25
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B 310
ALA B 307
GLN B 244
MET B 236
THR B 296
 None
 1.46A 2aa6B-3m2rB:
undetectable		 2aa6B-3m2rB:
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.
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
 1.18A 2aa6B-3mq4A:
undetectable		 2aa6B-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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ASN A 208
ALA A 196
LEU A  13
MET A   9
THR A 184
 None
 1.38A 2aa6B-3pv4A:
undetectable		 2aa6B-3pv4A:
21.21
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 LEU N 118
ALA N 122
MET N 174
MET K  61
LEU N 184
 None
 1.36A 2aa6B-3rkoN:
undetectable		 2aa6B-3rkoN:
19.96
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) 		11 ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
MET A 115
LEU A 201
CYH A 205
THR A 208
 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 (-3.6A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
 0.23A 2aa6B-3ry9A:
37.5		 2aa6B-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.
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
 1.40A 2aa6B-3zxsA:
undetectable		 2aa6B-3zxsA:
21.16
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.
3zzi ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 ASN A 247
LEU A 210
GLN A 244
LEU A 173
THR A 136
 None
 1.17A 2aa6B-3zziA:
undetectable		 2aa6B-3zziA:
21.43
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.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 ALA A 198
LEU A 207
MET A 211
LEU A 190
THR A 160
 None
 1.38A 2aa6B-4c75A:
undetectable		 2aa6B-4c75A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		5 LEU B  98
ALA B 160
LEU B  85
LEU B 114
THR B  72
 None
 1.46A 2aa6B-4ci2B:
undetectable		 2aa6B-4ci2B:
19.41
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.
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
 1.45A 2aa6B-4dapA:
undetectable		 2aa6B-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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		5 ASN A 377
LEU A 456
ALA A 427
LEU A 501
LEU A 572
 None
 1.14A 2aa6B-4fieA:
undetectable		 2aa6B-4fieA:
20.23
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.
4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01041
(DegT_DnrJ_EryC1) 		5 ASN A 375
LEU A 276
LEU A 297
MET A 313
LEU A 356
 None
 1.39A 2aa6B-4lc3A:
undetectable		 2aa6B-4lc3A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  63
ALA A  60
LEU A 162
LEU A 178
CYH A 177
 None
 1.49A 2aa6B-4ls9A:
undetectable		 2aa6B-4ls9A:
20.98
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.
4mdv ANNEXIN

(Schistosoma
mansoni) 		PF00191
(Annexin) 		5 LEU A 138
LEU A 166
MET A 170
LEU A 183
THR A 238
 None
 1.23A 2aa6B-4mdvA:
undetectable		 2aa6B-4mdvA:
21.23
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 286
ALA A 287
MET A 321
ARG A 331
MET A 358
 None
 0.54A 2aa6B-4n1yA:
28.1		 2aa6B-4n1yA:
28.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		5 LEU A 133
LEU A 101
MET A 105
LEU A  90
THR A 150
 None
 1.40A 2aa6B-4oerA:
undetectable		 2aa6B-4oerA:
19.17
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) 		10 ASN A 564
LEU A 566
GLN A 570
MET A 601
LEU A 608
ARG A 611
MET A 646
LEU A 732
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 (-4.4A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
 0.72A 2aa6B-4p6wA:
34.6		 2aa6B-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.
4roa SERPIN 2

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 LEU A 330
ALA A  70
LEU A 191
LEU A  64
THR A  98
 None
 1.40A 2aa6B-4roaA:
undetectable		 2aa6B-4roaA:
21.11
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) 		11 ASN A 770
LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
LEU A 938
CYH A 942
THR A 945
 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 ( 3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 0.29A 2aa6B-4udbA:
36.6		 2aa6B-4udbA:
91.27
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) 		6 ASN A 770
LEU A 827
MET A 852
LEU A 938
CYH A 942
THR A 945
 CV7  A1987 (-3.1A)
None
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 1.40A 2aa6B-4udbA:
36.6		 2aa6B-4udbA:
91.27
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 ASN A 774
LEU A 776
ALA A 777
LEU A 826
LEU A 820
 None
 1.48A 2aa6B-4uvkA:
undetectable		 2aa6B-4uvkA:
15.12
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		5 ASN A 377
LEU A 456
ALA A 427
LEU A 501
LEU A 572
 None
 1.14A 2aa6B-4xbrA:
undetectable		 2aa6B-4xbrA:
19.95
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU D  86
ALA D 393
LEU D 110
MET D 106
LEU D 386
 None
 1.45A 2aa6B-5a6bD:
undetectable		 2aa6B-5a6bD:
18.10
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.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 5 ASN A   8
LEU A  59
ALA A  60
LEU A 150
LEU A  34
 None
 1.24A 2aa6B-5b01A:
undetectable		 2aa6B-5b01A:
20.78
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D

(Streptomyces
viridosporus;
Sulfolobus
solfataricus) 		no annotation 5 ASN A   8
LEU A  59
ALA A  60
LEU A 150
LEU A  34
 None
None
None
BNG  A 501 ( 4.0A)
BNG  A 501 (-3.8A)
 1.30A 2aa6B-5b0lA:
undetectable		 2aa6B-5b0lA:
19.73
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.
5bux 3-HYDROXYACYL-[ACYL-
CARRIER-PROTEIN]
DEHYDRATASE FABZ

(Yersinia pestis) 		PF07977
(FabA) 		5 LEU A  38
ALA A  73
LEU A  16
CYH A 145
THR A 125
 None
 1.27A 2aa6B-5buxA:
undetectable		 2aa6B-5buxA:
20.64
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.
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
 1.20A 2aa6B-5fbhB:
undetectable		 2aa6B-5fbhB:
19.05
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.
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
 1.26A 2aa6B-5k5tA:
undetectable		 2aa6B-5k5tA:
18.88
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.
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
 1.15A 2aa6B-5kznA:
undetectable		 2aa6B-5kznA:
19.33
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 11 ASN A 770
LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 845
LEU A 938
CYH A 942
THR A 945
 ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 0.36A 2aa6B-5mwpA:
39.3		 2aa6B-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 9 LEU A 772
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
LEU A 938
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
 0.69A 2aa6B-5mwpA:
39.3		 2aa6B-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.
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)
 0.31A 2aa6B-5toaA:
25.4		 2aa6B-5toaA:
28.67
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 7 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 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)
486  A 801 ( 3.8A)
 0.84A 2aa6B-5uc1A:
23.1		 2aa6B-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)
 0.97A 2aa6B-5ufsA:
36.6		 2aa6B-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) 		10 ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
LEU A 201
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 ( 2.8A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
 0.43A 2aa6B-5ufsA:
36.6		 2aa6B-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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 LEU A 325
ALA A 345
LEU A 343
MET A 519
LEU A 360
 None
 1.48A 2aa6B-5vatA:
undetectable		 2aa6B-5vatA:
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 473
ALA A 474
LEU A 523
LEU A 570
THR A 626
 None
 1.25A 2aa6B-5xpgA:
undetectable		 2aa6B-5xpgA:
14.02
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 5 LEU A 177
ALA A 146
LEU A 396
LEU A 224
THR A 240
 None
 1.45A 2aa6B-6bk1A:
undetectable		 2aa6B-6bk1A:
14.44
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.
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
 1.13A 2aa6B-6bszA:
undetectable		 2aa6B-6bszA:
14.62