SIMILAR PATTERNS OF AMINO ACIDS FOR 3MNE_A_DEXA784_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.
1a99 PUTRESCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 GLY A 243
TRP A 160
LEU A 162
ILE A 221
PHE A 179
 None
 1.21A 3mneA-1a99A:
undetectable		 3mneA-1a99A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d9s CYCLIN-DEPENDENT
KINASE 4 INHIBITOR B

(Mus musculus) 		PF12796
(Ank_2) 		5 MET A  48
GLY A  17
GLN A  18
LEU A  57
THR A  87
 None
 1.32A 3mneA-1d9sA:
undetectable		 3mneA-1d9sA:
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASN A 192
GLY A 363
GLN A 168
MET A 181
LEU A 210
 None
 1.40A 3mneA-1eu1A:
undetectable		 3mneA-1eu1A:
16.43
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.
1gvh FLAVOHEMOPROTEIN

(Escherichia
coli) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASN A 142
GLY A 148
LEU A 189
THR A  86
ILE A 138
 None
 1.00A 3mneA-1gvhA:
undetectable		 3mneA-1gvhA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 ASN A 242
GLY A 312
GLN A 316
LEU A  95
ILE A 265
 ILP  A 400 (-3.5A)
ILP  A 400 (-3.5A)
None
ACY  A1005 ( 4.8A)
None
 1.30A 3mneA-1kt8A:
undetectable		 3mneA-1kt8A:
22.07
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 539
GLN A 540
ARG A 364
LEU A 466
ILE A 638
 None
 1.30A 3mneA-1loxA:
undetectable		 3mneA-1loxA:
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 GLY A 596
GLN A 659
ARG A 662
THR A 551
ILE A 555
 None
 1.32A 3mneA-1ulvA:
undetectable		 3mneA-1ulvA:
12.55
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 ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
LEU A 873
 BHM  A   1 (-3.6A)
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)
 0.80A 3mneA-2ax9A:
31.0		 3mneA-2ax9A:
49.43
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) 		6 ASN A 705
GLY A 708
GLN A 711
MET A 742
LEU A 873
PHE A 891
 BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-4.4A)
None
 0.94A 3mneA-2ax9A:
31.0		 3mneA-2ax9A:
49.43
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) 		8 ASN A  33
GLN A  39
TRP A  69
MET A  70
ARG A  80
LEU A 201
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.47A 3mneA-2q3yA:
35.6		 3mneA-2q3yA:
62.60
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) 		8 ASN A  33
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
LEU A 201
THR A 208
 1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-3.4A)
 0.75A 3mneA-2q3yA:
35.6		 3mneA-2q3yA:
62.60
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 ASN A  33
GLY A  37
TRP A  69
MET A  70
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.01A 3mneA-2q3yA:
35.6		 3mneA-2q3yA:
62.60
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.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 GLY A  46
ARG A 300
LEU A 129
ILE A 112
PHE A 150
 None
 1.27A 3mneA-2r44A:
undetectable		 3mneA-2r44A:
21.01
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.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Lactobacillus
hilgardii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 109
LEU A  16
THR A 142
ILE A 327
PHE A  69
 None
 1.47A 3mneA-2w37A:
undetectable		 3mneA-2w37A:
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.
2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE

(Nonomuraea
recticatena) 		PF00067
(p450) 		5 GLY A 165
ARG A 219
LEU A 242
THR A 178
PHE A 174
 None
None
HEM  A 450 ( 4.1A)
None
None
 1.50A 3mneA-2z36A:
undetectable		 3mneA-2z36A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		5 GLY A  42
LEU A  81
THR A 398
ILE A 394
PHE A  39
 None
 0.95A 3mneA-3c6gA:
2.9		 3mneA-3c6gA:
20.43
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 ASN A 719
GLY A 722
MET A 756
ARG A 766
MET A 801
LEU A 887
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.83A 3mneA-3kbaA:
34.2		 3mneA-3kbaA:
53.82
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) 		7 ASN A 719
TRP A 755
MET A 756
MET A 801
LEU A 887
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 1.22A 3mneA-3kbaA:
34.2		 3mneA-3kbaA:
53.82
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
GLN A 725
MET A 756
ARG A 766
MET A 801
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 (-4.2A)
WOW  A   1 (-4.0A)
 0.96A 3mneA-3kbaA:
34.2		 3mneA-3kbaA:
53.82
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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 MET A 312
GLY A 174
MET A 297
LEU A 308
ILE A 328
 None
 1.47A 3mneA-3p27A:
undetectable		 3mneA-3p27A:
18.28
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) 		9 ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
LEU A 201
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.45A 3mneA-3ry9A:
35.2		 3mneA-3ry9A:
71.48
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) 		9 ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
LEU A 201
THR A 208
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-3.2A)
 0.79A 3mneA-3ry9A:
35.2		 3mneA-3ry9A:
71.48
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) 		6 ASN A  33
GLY A  37
TRP A  69
MET A  70
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
None
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.92A 3mneA-3ry9A:
35.2		 3mneA-3ry9A:
71.48
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.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASN A 413
GLY A 416
MET A 442
LEU A 158
ILE A 409
 None
 1.19A 3mneA-3vf1A:
undetectable		 3mneA-3vf1A:
17.35
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.
3wdy BETA-1,3-1,4-GLUCANA
SE

(Paecilomyces
sp.
'thermophila') 		no annotation 5 TRP A 286
ARG A 203
LEU A 291
THR A 102
ILE A 114
 None
 1.42A 3mneA-3wdyA:
undetectable		 3mneA-3wdyA:
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.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 MET A 100
GLN A  87
LEU A 125
THR A 118
ILE A  77
 None
 1.42A 3mneA-4bguA:
undetectable		 3mneA-4bguA:
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 GLY A 149
ARG A 207
MET A 381
LEU A 375
THR A 352
 None
 1.44A 3mneA-4c1tA:
undetectable		 3mneA-4c1tA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6n AMINODEOXYCHORISMATE
LYASE

(Saccharomyces
cerevisiae) 		PF01063
(Aminotran_4) 		5 GLY A 361
GLN A 125
THR A 318
ILE A 340
PHE A 359
 PLP  A 500 (-3.7A)
PLP  A 500 ( 4.3A)
None
None
None
 1.49A 3mneA-4k6nA:
undetectable		 3mneA-4k6nA:
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 GLY A 514
MET A 517
LEU A 521
THR A 540
ILE A 377
 None
HEC  A 807 ( 3.8A)
None
HEC  A 807 (-4.7A)
HEC  A 807 ( 4.4A)
 1.49A 3mneA-4lm8A:
undetectable		 3mneA-4lm8A:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 GLN A 558
ARG A 544
LEU A 753
THR A 764
ILE A 758
 None
 1.28A 3mneA-4n3nA:
undetectable		 3mneA-4n3nA:
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 GLY A 245
MET A 225
LEU A 214
THR A 135
ILE A 142
 None
 1.21A 3mneA-4n81A:
undetectable		 3mneA-4n81A:
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.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 GLY A 311
LEU A 156
THR A 234
ILE A 165
PHE A 307
 None
DAL  A 402 ( 4.7A)
None
None
None
 1.30A 3mneA-4n8gA:
undetectable		 3mneA-4n8gA:
21.47
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.
4nul FLAVODOXIN

(Clostridium
beijerinckii) 		PF00258
(Flavodoxin_1) 		5 GLY A  52
MET A  96
MET A 103
ILE A 135
PHE A 131
 None
 1.40A 3mneA-4nulA:
undetectable		 3mneA-4nulA:
20.00
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) 		12 MET A 560
ASN A 564
GLY A 567
GLN A 570
TRP A 600
MET A 601
ARG A 611
MET A 646
LEU A 732
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 0.49A 3mneA-4p6wA:
37.7		 3mneA-4p6wA:
92.86
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 MET A 560
ASN A 564
GLY A 568
GLN A 570
TRP A 600
MET A 601
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 1.05A 3mneA-4p6wA:
37.7		 3mneA-4p6wA:
92.86
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) 		8 ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
LEU A 938
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.26A 3mneA-4udbA:
34.4		 3mneA-4udbA:
54.04
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) 		8 ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
MET A 852
LEU A 938
THR A 945
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.1A)
 0.70A 3mneA-4udbA:
34.4		 3mneA-4udbA:
54.04
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
GLY A 774
GLN A 776
TRP A 806
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 (-3.0A)
None
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.27A 3mneA-4udbA:
34.4		 3mneA-4udbA:
54.04
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 GLY A 344
GLN A 343
ARG A 250
LEU A 285
PHE A 300
 None
 1.45A 3mneA-4wr2A:
undetectable		 3mneA-4wr2A:
22.55
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		5 GLY A  95
MET A  17
LEU A   6
THR A  37
ILE A  75
 None
 1.25A 3mneA-5dldA:
undetectable		 3mneA-5dldA:
20.33
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 GLY X 326
GLN X 327
ARG X 363
ILE X  63
PHE X 112
 None
 1.43A 3mneA-5evyX:
undetectable		 3mneA-5evyX:
19.08
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		5 ASN A  43
GLY A 161
ARG A 183
LEU A 311
ILE A  66
 None
 1.49A 3mneA-5gxfA:
undetectable		 3mneA-5gxfA:
18.98
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.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		5 GLY A 284
MET A 245
ARG A  15
LEU A 277
PHE A 341
 None
HEM  A 401 ( 4.4A)
None
None
HEM  A 401 (-4.6A)
 1.44A 3mneA-5it1A:
2.7		 3mneA-5it1A:
20.87
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.
5jx5 GLUCANASE

(Orpinomyces sp.
Y102) 		PF01341
(Glyco_hydro_6) 		5 GLY A 280
GLN A 282
MET A 243
LEU A 199
ILE A 311
 None
 1.33A 3mneA-5jx5A:
undetectable		 3mneA-5jx5A:
20.63
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 8 ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
LEU A 938
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.46A 3mneA-5mwpA:
34.0		 3mneA-5mwpA:
47.50
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 ASN A 770
GLY A 774
GLN A 776
TRP A 806
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.28A 3mneA-5mwpA:
34.0		 3mneA-5mwpA:
47.50
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
ARG A 817
MET A 852
LEU A 938
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
 1.37A 3mneA-5mwpA:
34.0		 3mneA-5mwpA:
47.50
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 ARG F 375
MET F 110
LEU E  41
ILE E 156
PHE E  82
 NFU  F 501 (-4.2A)
None
None
None
None
 1.45A 3mneA-5odrF:
undetectable		 3mneA-5odrF:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3e BACILLAMIDE
SYNTHETASE
HETEROCYCLIZATION
DOMAIN

(Thermoactinomyces
vulgaris) 		PF00668
(Condensation) 		5 MET A1198
GLY A1203
LEU A 991
ILE A1230
PHE A1205
 None
 1.32A 3mneA-5t3eA:
undetectable		 3mneA-5t3eA:
22.49
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
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.83A 3mneA-5uc1A:
25.3		 3mneA-5uc1A:
90.36
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 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.70A 3mneA-5uc1A:
25.3		 3mneA-5uc1A:
90.36
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 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.88A 3mneA-5uc1A:
25.3		 3mneA-5uc1A:
90.36
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) 		11 MET A  29
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
LEU A 201
THR A 208
PHE A 218
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.53A 3mneA-5ufsA:
37.4		 3mneA-5ufsA:
76.77
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) 		7 MET A  29
ASN A  33
GLY A  37
TRP A  69
MET A  70
THR A 208
PHE A 218
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.90A 3mneA-5ufsA:
37.4		 3mneA-5ufsA:
76.77
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.
5vxz GROWTH
ARREST-SPECIFIC
PROTEIN 6

(Homo sapiens) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 GLY A 339
GLN A 411
LEU A 359
ILE A 426
PHE A 428
 NAG  A 701 (-3.0A)
None
None
None
None
 1.43A 3mneA-5vxzA:
undetectable		 3mneA-5vxzA:
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 MET A 474
GLY A 396
GLN A 392
MET A 451
ILE A 477
 None
 1.43A 3mneA-5yj6A:
undetectable		 3mneA-5yj6A:
15.27
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.
6e85 -

(-) 		no annotation 5 GLY A 288
ARG A 182
THR A 107
ILE A 118
PHE A 291
 None
 1.03A 3mneA-6e85A:
undetectable		 3mneA-6e85A:
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.
6f36 MITOCHONDRIAL ATP
SYNTHASE SUBUNIT 6
MITOCHONDRIAL ATP
SYNTHASE SUBUNIT
ASA6

(Polytomella sp.
Pringsheim
198.80) 		no annotation 5 ASN M 163
GLY M 166
ARG N  89
LEU M 245
ILE M 159
 None
 1.29A 3mneA-6f36M:
undetectable		 3mneA-6f36M:
19.76