SIMILAR PATTERNS OF AMINO ACIDS FOR 3H52_D_486D2

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.
1hci ALPHA-ACTININ 2

(Homo sapiens) 		PF00435
(Spectrin) 		5 GLY A 373
LEU A 294
ARG A 298
MET A 361
LEU A 341
 None
 1.16A 3h52D-1hciA:
undetectable		 3h52D-1hciA:
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 MET A 617
GLY A 614
GLN A 612
LEU A 561
MET A 668
 None
 1.38A 3h52D-1kcwA:
undetectable		 3h52D-1kcwA:
12.43
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) 		5 GLY A 708
GLN A 711
MET A 742
ARG A 752
LEU A 873
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
 0.67A 3h52D-2ax9A:
25.6		 3h52D-2ax9A:
48.83
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) 		5 GLY A 708
GLN A 711
MET A 742
ARG A 752
MET A 787
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 1.07A 3h52D-2ax9A:
25.6		 3h52D-2ax9A:
48.83
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.
2ewc CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pyogenes) 		no annotation 5 MET A  49
GLY A  32
VAL A  34
MET A  66
LEU A  69
 None
GOL  A2001 ( 3.8A)
GOL  A2001 (-3.6A)
None
None
 1.43A 3h52D-2ewcA:
undetectable		 3h52D-2ewcA:
15.48
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.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 GLY A 452
VAL A 616
LEU A 461
MET A 532
LEU A 469
 None
 1.37A 3h52D-2h4tA:
undetectable		 3h52D-2h4tA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A 134
GLN A 200
VAL A 201
MET A 168
LEU A 137
 GLY  A 134 ( 0.0A)
GLN  A 200 ( 0.6A)
VAL  A 201 ( 0.6A)
PRO  A 197 ( 3.9A)
LEU  A 137 ( 0.6A)
 1.48A 3h52D-2nvvA:
undetectable		 3h52D-2nvvA:
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  62
GLN A  95
LEU A  39
MET A 317
LEU A  44
 None
None
None
NAP  A1400 (-3.6A)
None
 1.48A 3h52D-2obyA:
undetectable		 3h52D-2obyA:
22.16
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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		5 VAL A 192
LEU A  17
MET A  39
MET A  33
LEU A  48
 None
 1.44A 3h52D-2p6pA:
undetectable		 3h52D-2p6pA:
20.80
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 GLN A  39
LEU A  77
ARG A  80
MET A 108
MET A 115
 1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 ( 3.7A)
 0.99A 3h52D-2q3yA:
28.0		 3h52D-2q3yA:
63.53
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 GLN A  39
MET A  70
ARG A  80
LEU A 201
CYH A 205
 1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
 0.89A 3h52D-2q3yA:
28.0		 3h52D-2q3yA:
63.53
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) 		6 GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
LEU A 201
 1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 ( 4.2A)
 0.74A 3h52D-2q3yA:
28.0		 3h52D-2q3yA:
63.53
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  77
ARG A  80
MET A 108
MET A 115
LEU A 197
 1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 ( 3.7A)
None
 0.93A 3h52D-2q3yA:
28.0		 3h52D-2q3yA:
63.53
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 MET A 382
GLY A 377
LEU A 478
MET A 482
LEU A 448
 None
 1.35A 3h52D-2yd0A:
undetectable		 3h52D-2yd0A:
13.79
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.
3dhn NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacteroides
thetaiotaomicron) 		PF13460
(NAD_binding_10) 		5 GLY A  11
VAL A  34
LEU A  20
MET A 201
LEU A 108
 None
 1.35A 3h52D-3dhnA:
undetectable		 3h52D-3dhnA:
22.01
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		5 GLY A 187
VAL A 185
LEU A 131
MET A 199
LEU A  35
 None
 1.13A 3h52D-3efvA:
undetectable		 3h52D-3efvA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 179
VAL A 197
LEU A 174
MET A 140
LEU A 154
 None
 1.35A 3h52D-3frkA:
undetectable		 3h52D-3frkA:
24.17
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.
3gkb PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 GLY A 139
VAL A 169
LEU A 144
ARG A 273
MET A  70
 None
 1.44A 3h52D-3gkbA:
undetectable		 3h52D-3gkbA:
20.81
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.
3hko CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 2
CALMODULIN-LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 MET A 114
GLY A 254
VAL A 256
LEU A 248
MET A 156
 None
 1.50A 3h52D-3hkoA:
undetectable		 3h52D-3hkoA:
20.00
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) 		5 GLY A 722
GLN A 725
MET A 756
ARG A 766
CYH A 891
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-3.5A)
 1.13A 3h52D-3kbaA:
27.7		 3h52D-3kbaA:
53.33
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) 		5 GLY A 722
GLN A 725
MET A 756
ARG A 766
LEU A 887
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
 0.98A 3h52D-3kbaA:
27.7		 3h52D-3kbaA:
53.33
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) 		5 GLY A 722
MET A 756
ARG A 766
MET A 801
CYH A 891
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
 1.09A 3h52D-3kbaA:
27.7		 3h52D-3kbaA:
53.33
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 GLY A 722
MET A 756
LEU A 763
ARG A 766
MET A 801
LEU A 887
 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)
 0.79A 3h52D-3kbaA:
27.7		 3h52D-3kbaA:
53.33
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.
3rhe NAD-DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Legionella
pneumophila) 		PF00903
(Glyoxalase) 		5 MET A 100
GLN A  72
VAL A  73
LEU A   7
ARG A  47
 None
 1.43A 3h52D-3rheA:
undetectable		 3h52D-3rheA:
18.70
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) 		6 GLY A  36
GLN A  39
LEU A  77
ARG A  80
MET A 108
MET A 115
 1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-3.6A)
 1.05A 3h52D-3ry9A:
27.0		 3h52D-3ry9A:
70.98
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) 		7 GLY A  36
GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
CYH A 205
 1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
 1.04A 3h52D-3ry9A:
27.0		 3h52D-3ry9A:
70.98
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) 		7 GLY A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
LEU A 201
 1CA  A 249 ( 4.0A)
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 ( 4.2A)
 0.82A 3h52D-3ry9A:
27.0		 3h52D-3ry9A:
70.98
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  77
ARG A  80
MET A 108
MET A 115
LEU A 197
 1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-3.6A)
None
 1.02A 3h52D-3ry9A:
27.0		 3h52D-3ry9A:
70.98
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY A 232
VAL A 429
MET A 436
LEU A 292
LEU A 439
 GLY  A 232 ( 0.0A)
VAL  A 429 ( 0.6A)
MET  A 436 ( 0.0A)
LEU  A 292 ( 0.5A)
LEU  A 439 ( 0.6A)
 1.43A 3h52D-3ulkA:
undetectable		 3h52D-3ulkA:
20.22
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY A 242
VAL A 240
MET A 203
LEU A  23
LEU A 297
 None
 1.43A 3h52D-4d9iA:
undetectable		 3h52D-4d9iA:
20.15
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 GLY A  37
VAL A  76
LEU A  57
MET A 338
LEU A  68
 None
 1.46A 3h52D-4evqA:
undetectable		 3h52D-4evqA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jgh CULLIN-5

(Homo sapiens) 		PF00888
(Cullin) 		5 MET D 310
GLY D 283
MET D 300
MET D 231
LEU D 295
 None
 1.24A 3h52D-4jghD:
undetectable		 3h52D-4jghD:
22.11
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) 		9 GLY A 567
GLN A 570
VAL A 571
MET A 601
LEU A 608
ARG A 611
MET A 639
MET A 646
LEU A 732
 MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
 0.63A 3h52D-4p6wA:
28.2		 3h52D-4p6wA:
94.09
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) 		9 GLY A 567
GLN A 570
VAL A 571
MET A 601
LEU A 608
ARG A 611
MET A 646
LEU A 732
CYH A 736
 MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
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)
 0.67A 3h52D-4p6wA:
28.2		 3h52D-4p6wA:
94.09
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) 		5 GLY A 568
GLN A 570
VAL A 571
MET A 601
CYH A 736
 None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.7A)
 1.27A 3h52D-4p6wA:
28.2		 3h52D-4p6wA:
94.09
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 MET A 560
VAL A 571
MET A 601
LEU A 608
ARG A 611
MET A 639
MET A 646
LEU A 732
 MOF  A 801 (-3.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
 0.86A 3h52D-4p6wA:
28.2		 3h52D-4p6wA:
94.09
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 GLN A 776
MET A 807
LEU A 814
ARG A 817
LEU A 938
CYH A 942
 CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
 0.81A 3h52D-4udbA:
26.9		 3h52D-4udbA:
55.21
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 GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
LEU A 938
 CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
 0.68A 3h52D-4udbA:
26.9		 3h52D-4udbA:
55.21
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.
5m3c DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		no annotation 5 MET A1113
GLY A1139
LEU A1182
MET A1186
LEU A1188
 None
 1.27A 3h52D-5m3cA:
undetectable		 3h52D-5m3cA:
14.96
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 6 GLN A 776
MET A 807
LEU A 814
ARG A 817
LEU A 938
CYH A 942
 ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
 0.79A 3h52D-5mwpA:
26.2		 3h52D-5mwpA:
53.73
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 6 GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
LEU A 938
 ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
 1.33A 3h52D-5mwpA:
26.2		 3h52D-5mwpA:
53.73
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 814
ARG A 817
MET A 845
MET A 852
LEU A 934
 ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
None
 1.32A 3h52D-5mwpA:
26.2		 3h52D-5mwpA:
53.73
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 8 GLY A 563
GLN A 566
VAL A 567
MET A 597
LEU A 604
ARG A 607
MET A 635
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.74A 3h52D-5uc1A:
21.1		 3h52D-5uc1A:
87.50
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) 		9 GLY A  36
GLN A  39
VAL A  40
MET A  70
LEU A  77
ARG A  80
MET A 108
MET A 115
CYH A 205
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.6A)
 0.89A 3h52D-5ufsA:
28.9		 3h52D-5ufsA:
76.68
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) 		9 GLY A  36
GLN A  39
VAL A  40
MET A  70
LEU A  77
ARG A  80
MET A 108
MET A 115
LEU A 201
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
1TA  A 301 ( 3.8A)
 0.71A 3h52D-5ufsA:
28.9		 3h52D-5ufsA:
76.68
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 GLY A  37
GLN A  39
VAL A  40
MET A  70
CYH A 205
 None
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.6A)
 1.23A 3h52D-5ufsA:
28.9		 3h52D-5ufsA:
76.68
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 MET A  29
VAL A  40
MET A  70
MET A 108
LEU A 201
 1TA  A 301 ( 2.9A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 3.8A)
 1.08A 3h52D-5ufsA:
28.9		 3h52D-5ufsA:
76.68
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 5 GLY A 193
VAL A 191
LEU A 159
ARG A 376
LEU A 144
 None
None
None
None
FAD  A 600 (-3.7A)
 1.42A 3h52D-6fydA:
undetectable		 3h52D-6fydA:
12.35
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.
1nzy 4-CHLOROBENZOYL
COENZYME A
DEHALOGENASE

(Pseudomonas sp.
CBS3) 		PF00378
(ECH_1) 		4 LEU B  39
ASN B  40
TRP B  88
TYR B   2
 None
 1.41A 3h52D-1nzyB:
0.0		 3h52D-1nzyB:
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		4 ASN A 189
TRP A 223
MET A 259
TYR A 159
 None
 1.42A 3h52D-2gu0A:
0.0		 3h52D-2gu0A:
22.70
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 LEU A 392
ASN A 396
TRP A 461
TYR A 454
 None
 1.43A 3h52D-3h9cA:
0.0		 3h52D-3h9cA:
18.42
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.
3hl1 FERRITIN LIKE
PROTEIN

(Caulobacter
vibrioides) 		PF12902
(Ferritin-like) 		4 LEU A  73
ASN A 280
MET A 168
TYR A  69
 None
 1.45A 3h52D-3hl1A:
0.9		 3h52D-3hl1A:
21.36
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) 		4 LEU A 718
ASN A 719
MET A 759
TYR A 890
 WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 (-3.7A)
WOW  A   1 (-3.9A)
 0.86A 3h52D-3kbaA:
27.7		 3h52D-3kbaA:
53.33
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C) 		4 LEU A  70
ASN A  71
TRP A 164
MET A  54
 None
 1.38A 3h52D-3mwtA:
0.0		 3h52D-3mwtA:
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.
3o0d TRIACYLGLYCEROL
LIPASE

(Yarrowia
lipolytica) 		PF01764
(Lipase_3)
PF03893
(Lipase3_N) 		4 LEU A 175
ASN A 178
TRP A 200
TYR A 133
 NAG  A 302 (-4.8A)
NAG  A 302 (-3.4A)
None
None
 1.11A 3h52D-3o0dA:
0.0		 3h52D-3o0dA:
20.78
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 4 LEU A 559
ASN A 560
TRP A 596
MET A 600
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
None
None
 0.60A 3h52D-5uc1A:
21.1		 3h52D-5uc1A:
87.50
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 LEU A 319
ASN A 114
TRP A 234
TYR A 255
 None
 1.46A 3h52D-5vf4A:
0.0		 3h52D-5vf4A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xe3 ENDORIBONUCLEASE
MAZF4

(Mycobacterium
tuberculosis) 		no annotation 4 LEU C   5
ASN C  30
MET C  89
TYR C  10
 None
 1.44A 3h52D-5xe3C:
undetectable		 3h52D-5xe3C:
16.14