SIMILAR PATTERNS OF AMINO ACIDS FOR 3H52_C_486C4_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.
1d1d PROTEIN (CAPSID
PROTEIN)

(Rous sarcoma
virus) 		PF00607
(Gag_p24) 		5 LEU A 106
GLY A 108
GLN A 120
VAL A 114
LEU A  49
 None
 1.48A 3h52C-1d1dA:
undetectable		 3h52C-1d1dA:
20.50
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.
1jl2 CHIMERA OF
RIBONUCLEASE HI,
RIBONUCLEASE H

(Escherichia
coli;
Thermus
thermophilus) 		PF00075
(RNase_H) 		5 VAL A  99
TRP A  91
LEU A 104
ARG A  46
MET A 112
 None
 1.48A 3h52C-1jl2A:
undetectable		 3h52C-1jl2A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 GLN A 204
LEU A 227
PHE A 231
MET A 274
MET A 289
 None
 1.45A 3h52C-1qs8A:
undetectable		 3h52C-1qs8A:
21.05
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.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		5 LEU A 249
GLY A 253
GLN A 256
TRP A 286
ARG A 297
 EPH  A4000 (-4.4A)
EPH  A4000 ( 4.4A)
None
None
None
 0.91A 3h52C-1r20A:
19.2		 3h52C-1r20A:
27.94
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.
1stz HEAT-INDUCIBLE
TRANSCRIPTION
REPRESSOR HRCA
HOMOLOG

(Thermotoga
maritima) 		PF01628
(HrcA) 		5 LEU A 122
GLY A 124
VAL A 135
ARG A 139
PHE A 121
 None
 1.43A 3h52C-1stzA:
undetectable		 3h52C-1stzA:
23.15
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) 		6 GLY A 708
GLN A 711
MET A 742
ARG A 752
PHE A 764
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 (-4.4A)
BHM  A   1 (-3.6A)
 0.92A 3h52C-2ax9A:
24.1		 3h52C-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) 		6 LEU A 704
GLY A 708
GLN A 711
ARG A 752
PHE A 764
MET A 787
 BHM  A   1 (-4.0A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
BHM  A   1 (-3.6A)
 0.81A 3h52C-2ax9A:
24.1		 3h52C-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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 LEU A 251
GLY A 258
LEU A 226
ARG A 223
PHE A 260
 None
 1.41A 3h52C-2epjA:
undetectable		 3h52C-2epjA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i10 PUTATIVE TETR
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A  89
GLY A  91
LEU A  72
PHE A  88
MET A 132
 None
 1.28A 3h52C-2i10A:
undetectable		 3h52C-2i10A:
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.
2i10 PUTATIVE TETR
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A  89
GLY A  91
VAL A  95
LEU A  72
MET A 132
 None
 1.46A 3h52C-2i10A:
undetectable		 3h52C-2i10A:
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.
2ozz HYPOTHETICAL PROTEIN
YHFZ

(Shigella
flexneri) 		PF14503
(YhfZ_C) 		5 LEU A  34
GLY A  29
GLN A 216
VAL A 219
LEU A 213
 None
 1.36A 3h52C-2ozzA:
undetectable		 3h52C-2ozzA:
23.79
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) 		7 GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
PHE A  92
MET A 115
 1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
 0.62A 3h52C-2q3yA:
26.6		 3h52C-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 LEU A  32
GLN A  39
TRP A  69
ARG A  80
PHE A  92
MET A 115
 1CA  A 247 (-4.0A)
1CA  A 247 (-3.1A)
None
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
 0.91A 3h52C-2q3yA:
26.6		 3h52C-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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
GLY A 784
TRP A 755
LEU A 747
PHE A 782
 None
 1.49A 3h52C-2y6iA:
undetectable		 3h52C-2y6iA:
15.70
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
VAL A 785
TRP A 755
LEU A 747
PHE A 782
 None
 1.46A 3h52C-2y6iA:
undetectable		 3h52C-2y6iA:
15.70
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A2045
GLY A2043
GLN A2078
VAL A2079
PHE A2270
 None
 1.32A 3h52C-3cmvA:
undetectable		 3h52C-3cmvA:
11.14
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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 GLY A  74
TRP A  95
MET A  45
LEU A  31
PHE A  71
 None
 1.26A 3h52C-3hinA:
undetectable		 3h52C-3hinA:
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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 GLY A 120
TRP A  95
MET A  45
LEU A  31
PHE A  71
 None
 1.49A 3h52C-3hinA:
undetectable		 3h52C-3hinA:
20.91
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
PHE A 778
MET A 801
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
None
WOW  A   1 (-4.2A)
 0.81A 3h52C-3kbaA:
26.9		 3h52C-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 LEU A 718
GLY A 722
LEU A 763
ARG A 766
PHE A 778
MET A 801
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
None
WOW  A   1 (-4.2A)
 0.97A 3h52C-3kbaA:
26.9		 3h52C-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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 LEU A  52
VAL A  25
LEU A 110
PHE A  56
MET A 103
 None
 1.33A 3h52C-3p0fA:
undetectable		 3h52C-3p0fA:
22.48
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) 		8 GLY A  36
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
PHE A  92
MET A 115
 1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
None
1CA  A 249 (-3.6A)
 0.74A 3h52C-3ry9A:
25.6		 3h52C-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 LEU A  32
GLY A  36
GLN A  39
TRP A  69
ARG A  80
PHE A  92
MET A 115
 1CA  A 249 (-3.9A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 (-3.5A)
None
1CA  A 249 (-3.6A)
 0.97A 3h52C-3ry9A:
25.6		 3h52C-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.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		5 GLY A 154
GLN A 209
LEU A 206
PHE A 156
MET A 197
 None
 1.41A 3h52C-3sy8A:
undetectable		 3h52C-3sy8A:
21.05
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A  37
GLY A 440
VAL A 398
LEU A 428
PHE A  31
 None
 1.11A 3h52C-3vilA:
undetectable		 3h52C-3vilA:
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
GLY A 784
TRP A 755
LEU A 747
PHE A 782
 None
 1.47A 3h52C-4areA:
undetectable		 3h52C-4areA:
16.52
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
VAL A 785
TRP A 755
LEU A 747
PHE A 782
 None
 1.39A 3h52C-4areA:
undetectable		 3h52C-4areA:
16.52
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.
4bqm GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 LEU A 422
GLY A 430
VAL A 428
LEU A 390
MET A 398
 None
 1.43A 3h52C-4bqmA:
undetectable		 3h52C-4bqmA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1l 2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus) 		PF00793
(DAHP_synth_1) 		5 LEU A  46
GLY A  50
TRP A 260
LEU A 249
PHE A  45
 None
 1.36A 3h52C-4c1lA:
undetectable		 3h52C-4c1lA:
20.07
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.
4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus;
Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 LEU A 117
GLY A 121
TRP A 331
LEU A 320
PHE A 116
 None
 1.33A 3h52C-4grsA:
undetectable		 3h52C-4grsA:
22.05
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
TRP A 600
MET A 601
LEU A 608
ARG A 611
PHE A 623
MET A 646
 MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.7A)
MOF  A 801 (-4.4A)
 0.66A 3h52C-4p6wA:
26.8		 3h52C-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
TRP A 600
MET A 601
 None
MOF  A 801 (-2.9A)
None
None
MOF  A 801 (-3.7A)
 1.02A 3h52C-4p6wA:
26.8		 3h52C-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) 		7 LEU A 563
GLY A 567
GLN A 570
VAL A 571
TRP A 600
MET A 601
PHE A 623
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.7A)
 0.99A 3h52C-4p6wA:
26.8		 3h52C-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 LEU A 627
GLN A 570
LEU A 608
PHE A 623
MET A 646
 None
MOF  A 801 (-2.9A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.7A)
MOF  A 801 (-4.4A)
 1.33A 3h52C-4p6wA:
26.8		 3h52C-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) 		7 GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
PHE A 829
MET A 852
 CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 (-4.9A)
CV7  A1987 ( 3.7A)
 0.62A 3h52C-4udbA:
25.5		 3h52C-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) 		5 LEU A 769
GLN A 776
TRP A 806
PHE A 829
MET A 852
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 (-4.9A)
CV7  A1987 ( 3.7A)
 1.00A 3h52C-4udbA:
25.5		 3h52C-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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 LEU A 483
GLY A 561
VAL A 610
TRP A 391
MET A 470
 None
 1.24A 3h52C-5f7uA:
undetectable		 3h52C-5f7uA:
12.03
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU C 225
GLY C  79
LEU C 190
PHE C 220
MET C 189
 None
 1.32A 3h52C-5gnwC:
undetectable		 3h52C-5gnwC:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 193
GLY A 195
LEU A 284
MET A 186
MET A 241
 None
 1.33A 3h52C-5h1yA:
undetectable		 3h52C-5h1yA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 LEU A 140
GLY A 144
ARG A 227
PHE A 262
MET A 207
 None
 1.31A 3h52C-5j90A:
undetectable		 3h52C-5j90A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 LEU A 316
GLY A 320
ARG A 235
PHE A 526
MET A 388
 None
ZN  A 608 ( 4.6A)
None
None
None
 1.19A 3h52C-5k4pA:
undetectable		 3h52C-5k4pA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kem BDBV91 VARIABLE FAB
DOMAIN HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 GLY B  49
GLN B  61
VAL B  37
ARG B  64
PHE B  63
 None
 1.13A 3h52C-5kemB:
undetectable		 3h52C-5kemB:
19.44
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
TRP A 806
MET A 807
LEU A 814
ARG A 817
MET A 852
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.22A 3h52C-5mwpA:
25.2		 3h52C-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
TRP A 806
MET A 807
LEU A 814
ARG A 817
PHE A 829
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.9A)
 0.61A 3h52C-5mwpA:
25.2		 3h52C-5mwpA:
53.73
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.
5mx9 PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-2

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 LEU A 316
GLY A 320
ARG A 235
PHE A 525
MET A 388
 None
 1.22A 3h52C-5mx9A:
undetectable		 3h52C-5mx9A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 LEU A 408
VAL A 416
LEU A  55
PHE A  13
MET A  94
 None
 1.35A 3h52C-5tlcA:
undetectable		 3h52C-5tlcA:
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 298
TRP A 335
LEU A 343
ARG A 346
PHE A 356
 EST  A 601 (-4.1A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.9A)
 0.98A 3h52C-5toaA:
20.4		 3h52C-5toaA:
29.74
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
PHE A 619
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)
 0.65A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
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
TRP A 596
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.71A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
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 5 GLY A 564
GLN A 566
VAL A 567
TRP A 596
MET A 597
 486  A 801 ( 3.8A)
486  A 801 (-2.8A)
None
None
CPS  A 803 ( 3.9A)
 1.07A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
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 5 LEU A 559
GLY A 563
VAL A 567
MET A 597
PHE A 619
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-4.7A)
 1.07A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
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 5 LEU A 559
GLY A 563
VAL A 567
TRP A 596
MET A 597
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
None
None
CPS  A 803 ( 3.9A)
 1.10A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
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 5 LEU A 562
TRP A 596
MET A 597
LEU A 604
MET A 642
 486  A 801 ( 4.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 1.47A 3h52C-5uc1A:
20.2		 3h52C-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
TRP A  69
MET A  70
LEU A  77
ARG A  80
PHE A  92
MET A 115
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 (-4.4A)
1TA  A 301 ( 2.8A)
 0.64A 3h52C-5ufsA:
27.3		 3h52C-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) 		8 GLY A  36
GLN A  39
VAL A  40
TRP A  69
MET A  70
LEU A  77
MET A 108
MET A 115
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
 1.06A 3h52C-5ufsA:
27.3		 3h52C-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
TRP A  69
MET A  70
 None
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
 0.96A 3h52C-5ufsA:
27.3		 3h52C-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) 		8 LEU A  32
GLY A  36
GLN A  39
VAL A  40
TRP A  69
MET A  70
PHE A  92
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.4A)
1TA  A 301 ( 2.8A)
 0.92A 3h52C-5ufsA:
27.3		 3h52C-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.
5vg2 INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Tetranychus
urticae) 		no annotation 5 LEU U 256
GLY U 184
GLN U 185
ARG U 166
PHE U 221
 None
None
None
FE  U 301 ( 4.9A)
None
 1.48A 3h52C-5vg2U:
undetectable		 3h52C-5vg2U:
14.23
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.
5xnu PUTATIVE INTEGRAL
MEMBRANE PROTEIN

(Escherichia
coli) 		no annotation 5 LEU A 314
GLY A 318
ARG A 233
PHE A 523
MET A 386
 None
 1.19A 3h52C-5xnuA:
undetectable		 3h52C-5xnuA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zib -

(-) 		no annotation 5 LEU A 324
GLY A 355
TRP A 301
LEU A 374
PHE A 359
 None
 1.47A 3h52C-5zibA:
undetectable		 3h52C-5zibA:
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.
5zic -

(-) 		no annotation 5 LEU A 324
GLY A 355
TRP A 301
LEU A 374
PHE A 359
 None
 1.47A 3h52C-5zicA:
undetectable		 3h52C-5zicA:
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.
6czx PHOSPHOSERINE
AMINOTRANSFERASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 LEU A 372
GLY A 401
VAL A 399
LEU A 393
PHE A 381
 None
 1.47A 3h52C-6czxA:
undetectable		 3h52C-6czxA:
16.74
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A 194
GLY A 228
GLN A 232
VAL A  85
LEU A 235
 None
 1.41A 3h52C-6fshA:
undetectable		 3h52C-6fshA:
15.87