SIMILAR PATTERNS OF AMINO ACIDS FOR 3H52_B_486B1

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
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  32
TRP A  69
MET A  70
MET A  73
LEU A 201
 1CA  A 247 (-4.0A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 4.2A)
 0.49A 3h52B-2q3yA:
28.1		 3h52B-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  32
TRP A  69
MET A  70
MET A  73
LEU A 223
 1CA  A 247 (-4.0A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
None
 1.32A 3h52B-2q3yA:
28.1		 3h52B-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  35
TRP A  69
MET A  70
MET A 222
LEU A 223
 1CA  A 247 ( 4.4A)
None
1CA  A 247 ( 3.8A)
None
None
 1.12A 3h52B-2q3yA:
28.1		 3h52B-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 TRP A  69
MET A  70
MET A  73
MET A 222
LEU A 223
 None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
None
None
 1.21A 3h52B-2q3yA:
28.1		 3h52B-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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 ASN A1351
TRP A1500
GLN A1528
LEU A1527
TYR A1526
 None
 1.31A 3h52B-3k9bA:
0.0		 3h52B-3k9bA:
21.61
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 LEU A 718
MET A 756
MET A 759
LEU A 887
TYR A 890
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.9A)
 0.60A 3h52B-3kbaA:
27.8		 3h52B-3kbaA:
53.33
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  32
TRP A  69
MET A  70
MET A  73
LEU A 201
 1CA  A 249 (-3.9A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 ( 4.2A)
 0.70A 3h52B-3ry9A:
27.8		 3h52B-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  35
TRP A  69
MET A  70
MET A 222
LEU A 223
 1CA  A 249 ( 4.4A)
None
1CA  A 249 ( 3.8A)
None
None
 1.29A 3h52B-3ry9A:
27.8		 3h52B-3ry9A:
70.98
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 563
TRP A 600
MET A 601
LEU A 732
TYR A 735
 MOF  A 801 (-3.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-4.8A)
 0.66A 3h52B-4p6wA:
29.3		 3h52B-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 563
TRP A 600
MET A 601
MET A 604
LEU A 732
 MOF  A 801 (-3.9A)
None
MOF  A 801 (-3.7A)
None
MOF  A 801 ( 4.2A)
 0.76A 3h52B-4p6wA:
29.3		 3h52B-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 TRP A 600
MET A 601
GLN A 642
LEU A 732
TYR A 735
 None
MOF  A 801 (-3.7A)
None
MOF  A 801 ( 4.2A)
MOF  A 801 (-4.8A)
 1.23A 3h52B-4p6wA:
29.3		 3h52B-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) 		5 LEU A 772
TRP A 806
MET A 807
MET A 959
LEU A 960
 CV7  A1987 ( 4.5A)
None
CV7  A1987 ( 3.9A)
None
None
 1.41A 3h52B-4udbA:
27.5		 3h52B-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.
5fcy RED CAROTENOID
PROTEIN (RCP)

(Nostoc sp. PCC
7120) 		PF09150
(Carot_N) 		5 TRP A 102
MET A 153
GLN A  73
LEU A  74
LEU A  27
 None
None
None
None
BCR  A 201 (-3.8A)
 1.21A 3h52B-5fcyA:
undetectable		 3h52B-5fcyA:
23.11
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 ASN A 333
TRP A 481
GLN A 509
LEU A 508
TYR A 507
 None
 1.33A 3h52B-5fv4A:
undetectable		 3h52B-5fv4A:
18.18
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.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		5 LEU A 240
ASN A 225
GLN A 222
LEU A 216
LEU A 231
 None
 1.24A 3h52B-5i3sA:
undetectable		 3h52B-5i3sA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ASN A 493
MET A 190
LEU A 482
TYR A 485
LEU A 490
 None
None
None
TFB  A2003 (-4.9A)
None
 1.46A 3h52B-5kf7A:
0.0		 3h52B-5kf7A:
12.34
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 772
TRP A 806
MET A 807
MET A 959
LEU A 960
 ECV  A1101 ( 3.9A)
None
ECV  A1101 (-3.6A)
None
None
 1.22A 3h52B-5mwpA:
26.6		 3h52B-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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		5 LEU A 336
ASN A 334
MET A  60
MET A 501
LEU A 349
 None
 1.48A 3h52B-5tj3A:
undetectable		 3h52B-5tj3A:
18.13
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 LEU A  32
TRP A  69
MET A  70
MET A  73
LEU A 201
 1TA  A 301 (-3.5A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.8A)
 0.85A 3h52B-5ufsA:
29.3		 3h52B-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 LEU A  35
MET A  70
MET A  73
MET A 221
LEU A 222
 1TA  A 301 ( 3.6A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.2A)
None
None
 1.41A 3h52B-5ufsA:
29.3		 3h52B-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.
5vew GLUCAGON-LIKE
PEPTIDE 1
RECEPTOR,ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 ASN A1132
TRP A1138
MET A1102
LEU A1099
LEU A1133
 None
 1.49A 3h52B-5vewA:
undetectable		 3h52B-5vewA:
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.
1ekb ENTEROPEPTIDASE

(Bos taurus) 		PF00089
(Trypsin) 		5 GLY B  19
GLY B  18
GLN B 156
VAL B  17
LEU B 155
 None
 1.28A 3h52B-1ekbB:
undetectable		 3h52B-1ekbB:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		5 GLY A 225
GLN A 178
VAL A 183
LEU A 216
ILE A  22
 None
 1.26A 3h52B-1fbaA:
undetectable		 3h52B-1fbaA:
22.49
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 GLY A 183
VAL A 185
LEU A 218
CYH A 230
ILE A  14
 BME  A1462 ( 3.9A)
NAD  A2001 (-3.6A)
None
None
NAD  A2001 (-3.9A)
 1.23A 3h52B-1gegA:
undetectable		 3h52B-1gegA:
18.93
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 GLY A 125
GLY A 126
LEU A 103
CYH A 176
ILE A 169
 None
KCX  A 147 ( 3.7A)
None
None
None
 1.02A 3h52B-1gkrA:
undetectable		 3h52B-1gkrA:
20.48
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.
1ihc GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth) 		5 GLY A  86
GLY A  87
VAL A  22
LEU A  39
ILE A  66
 None
 1.16A 3h52B-1ihcA:
undetectable		 3h52B-1ihcA:
22.66
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.
1im4 DBH

(Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 GLY A 144
GLY A 165
VAL A 166
MET A  89
ILE A 123
 None
 1.28A 3h52B-1im4A:
undetectable		 3h52B-1im4A:
21.25
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 GLY A 173
GLY A 174
VAL A 176
ARG A 128
ILE A 227
 None
 1.22A 3h52B-1j6oA:
undetectable		 3h52B-1j6oA:
18.53
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.
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
 1.25A 3h52B-1kcwA:
undetectable		 3h52B-1kcwA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 351
GLN A 277
LEU A 274
ARG A 451
ILE A 298
 None
 1.22A 3h52B-1kplA:
undetectable		 3h52B-1kplA:
19.44
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.
1lar PROTEIN (LAR)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1527
GLY A1530
GLN A1566
VAL A1565
ILE A1574
 None
 1.21A 3h52B-1larA:
undetectable		 3h52B-1larA:
16.90
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.
1r2k MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Escherichia
coli) 		no annotation 5 GLY B  76
GLY B  77
VAL B  17
LEU B  32
ILE B  56
 SO4  B 170 ( 3.8A)
SO4  B 170 (-4.1A)
None
None
None
 1.16A 3h52B-1r2kB:
undetectable		 3h52B-1r2kB:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmh TRIOSEPHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00121
(TIM) 		5 MET A  62
GLY A  10
VAL A 234
CYH A  38
ILE A 247
 None
 0.92A 3h52B-1tmhA:
undetectable		 3h52B-1tmhA:
20.43
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.
1tmh TRIOSEPHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00121
(TIM) 		5 MET A  62
GLY A  10
VAL A 234
CYH A  38
ILE A 247
 None
 1.11A 3h52B-1tmhA:
undetectable		 3h52B-1tmhA:
20.43
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		5 GLY A  92
VAL A 113
LEU A 103
CYH A  46
ILE A 238
 None
 1.21A 3h52B-1tqhA:
undetectable		 3h52B-1tqhA:
21.55
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.
1yfo RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		5 GLY A 438
GLY A 441
GLN A 477
VAL A 476
ILE A 485
 None
 1.10A 3h52B-1yfoA:
undetectable		 3h52B-1yfoA:
19.45
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.
1ywk 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE 1

(Enterococcus
faecalis) 		PF04962
(KduI) 		5 GLY A1048
GLY A1049
MET A1200
CYH A1258
ILE A1081
 None
 1.24A 3h52B-1ywkA:
undetectable		 3h52B-1ywkA:
20.70
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
ARG A 752
CYH A 784
MET A 787
ILE A 898
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-3.6A)
None
 0.89A 3h52B-2ax9A:
25.8		 3h52B-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.
2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 GLY A 458
GLY A 461
GLN A 500
VAL A 499
ILE A 508
 None
 1.26A 3h52B-2b3oA:
undetectable		 3h52B-2b3oA:
18.97
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 175
GLN A 179
VAL A 180
MET A 488
ILE A 616
 None
 1.28A 3h52B-2b3xA:
undetectable		 3h52B-2b3xA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		5 GLY A 254
GLY A 255
VAL A 111
MET A  69
ILE A 100
 None
 0.98A 3h52B-2bwpA:
undetectable		 3h52B-2bwpA:
20.54
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.
2c7s RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE KAPPA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1088
GLY A1091
GLN A1127
VAL A1126
ILE A1135
 ACT  A2156 (-3.6A)
None
ACT  A2156 (-3.4A)
None
None
 1.06A 3h52B-2c7sA:
undetectable		 3h52B-2c7sA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fgt TWO-COMPONENT SYSTEM
YYCF/YYCG REGULATORY
PROTEIN YYCH

(Bacillus
subtilis) 		PF07435
(YycH) 		5 GLY A 387
GLY A 388
VAL A 391
MET A 228
ILE A 409
 None
 1.25A 3h52B-2fgtA:
undetectable		 3h52B-2fgtA:
21.50
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.
2mki CYTOPLASMIC
POLYADENYLATION
ELEMENT-BINDING
PROTEIN 4

(Homo sapiens) 		PF16367
(RRM_7) 		5 GLY A  70
GLY A  71
GLN A 150
VAL A 149
ILE A  81
 U  B   2 ( 3.9A)
C  B   1 ( 2.7A)
U  B   2 ( 2.8A)
None
None
 1.09A 3h52B-2mkiA:
undetectable		 3h52B-2mkiA:
21.88
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 GLY A   5
VAL A   6
LEU A 165
CYH A  23
ILE A  17
 None
 1.19A 3h52B-2nv0A:
undetectable		 3h52B-2nv0A:
23.81
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 143
GLY A 144
VAL A 123
CYH A 169
ILE A 152
 None
 1.27A 3h52B-2p4qA:
undetectable		 3h52B-2p4qA:
17.91
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 GLY A 687
GLY A 688
VAL A 685
LEU A 721
ILE A 703
 None
 1.21A 3h52B-2pziA:
undetectable		 3h52B-2pziA:
15.84
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
LEU A  77
ARG A  80
CYH A 112
MET A 115
ILE A 227
 1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
None
 1.17A 3h52B-2q3yA:
28.1		 3h52B-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
VAL A  43
LEU A  77
ARG A  80
ILE A  65
 1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
None
 1.26A 3h52B-2q3yA:
28.1		 3h52B-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 GLY A  37
GLN A  39
ARG A  80
CYH A 205
ILE A 226
 None
1CA  A 247 (-3.1A)
1CA  A 247 (-3.8A)
1CA  A 247 (-4.0A)
None
 0.83A 3h52B-2q3yA:
28.1		 3h52B-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) 		7 GLY A  37
GLN A  39
LEU A  77
ARG A  80
CYH A 112
MET A 115
CYH A 205
 None
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.0A)
 0.88A 3h52B-2q3yA:
28.1		 3h52B-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) 		7 GLY A  37
GLN A  39
LEU A  77
ARG A  80
MET A 108
CYH A 112
MET A 115
 None
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
None
1CA  A 247 ( 3.7A)
 1.40A 3h52B-2q3yA:
28.1		 3h52B-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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A 147
GLY A 148
VAL A 174
LEU A 170
ILE A  96
 None
 1.28A 3h52B-3ailA:
undetectable		 3h52B-3ailA:
22.04
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.
3bv4 FRUCTOSE-BISPHOSPHAT
E ALDOLASE A

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		5 GLY A 225
GLN A 178
VAL A 183
LEU A 216
ILE A  22
 None
 1.28A 3h52B-3bv4A:
undetectable		 3h52B-3bv4A:
18.39
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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 GLY A  48
GLN A  47
VAL A  46
LEU A 250
ILE A  79
 None
 1.24A 3h52B-3fmcA:
undetectable		 3h52B-3fmcA:
22.59
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 GLY A 234
GLY A 235
GLN A 231
VAL A 236
ARG A 152
 None
 1.18A 3h52B-3hmuA:
undetectable		 3h52B-3hmuA:
19.92
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.
3i3o SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 GLY A  57
GLY A  52
LEU A 258
MET A 277
ILE A  71
 None
 1.25A 3h52B-3i3oA:
undetectable		 3h52B-3i3oA:
20.26
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  38
GLN A  43
MET A 124
ILE A  36
 None
 1.18A 3h52B-3i3yA:
undetectable		 3h52B-3i3yA:
20.32
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
LEU A 763
ARG A 766
CYH A 798
MET A 801
CYH A 891
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
 0.87A 3h52B-3kbaA:
27.8		 3h52B-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.
3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Babesia bovis) 		PF00274
(Glycolytic) 		5 GLY A 224
GLN A 177
VAL A 182
LEU A 215
ILE A  20
 None
 1.27A 3h52B-3kx6A:
undetectable		 3h52B-3kx6A:
20.79
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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 GLY A 149
GLY A 148
VAL A 151
LEU A  89
ILE A 144
 None
None
None
None
GOL  A 246 (-4.5A)
 1.25A 3h52B-3l77A:
undetectable		 3h52B-3l77A:
21.64
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 GLY A 126
VAL A 124
LEU A 104
MET A 106
ILE A  15
 None
 1.24A 3h52B-3lm6A:
undetectable		 3h52B-3lm6A:
20.45
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.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 MET A 189
GLY A  28
GLY A  70
MET A 235
ILE A  67
 None
PO4  A 281 (-3.2A)
None
None
None
 1.27A 3h52B-3mb8A:
undetectable		 3h52B-3mb8A:
20.39
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.
3mbf FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Encephalitozoon
cuniculi) 		PF00274
(Glycolytic) 		5 GLY A 217
GLN A 170
VAL A 175
MET A 205
ILE A  17
 None
 1.24A 3h52B-3mbfA:
undetectable		 3h52B-3mbfA:
21.94
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.
3ohg UNCHARACTERIZED
PROTEIN FROM DUF2233
FAMILY

(Bacteroides
ovatus) 		PF09992
(NAGPA) 		5 GLY A 193
GLY A 192
VAL A 163
LEU A 197
MET A 258
 None
 1.26A 3h52B-3ohgA:
undetectable		 3h52B-3ohgA:
22.51
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.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		5 GLY A 277
GLY A 276
VAL A 274
LEU A 281
ILE A  78
 GLY  A 277 (-0.0A)
GLY  A 276 ( 0.0A)
VAL  A 274 ( 0.6A)
LEU  A 281 ( 0.6A)
ILE  A  78 ( 0.6A)
 1.27A 3h52B-3pu5A:
undetectable		 3h52B-3pu5A:
19.23
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.
3qvo NMRA FAMILY PROTEIN

(Shigella
flexneri) 		PF13460
(NAD_binding_10) 		5 GLY A  11
GLY A  10
GLN A  12
LEU A 151
ILE A  18
 None
 1.22A 3h52B-3qvoA:
undetectable		 3h52B-3qvoA:
21.43
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 GLN A  39
LEU A  77
ARG A  80
MET A 108
CYH A 112
MET A 115
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
None
1CA  A 249 (-3.6A)
 1.28A 3h52B-3ry9A:
27.8		 3h52B-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) 		6 GLY A  36
GLN A  39
LEU A  77
ARG A  80
MET A 115
ILE A 227
 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)
None
 1.39A 3h52B-3ry9A:
27.8		 3h52B-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) 		9 GLY A  36
GLY A  37
GLN A  39
LEU A  77
ARG A  80
CYH A 112
MET A 115
CYH A 205
ILE A 226
 1CA  A 249 ( 4.0A)
None
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
None
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
None
 0.85A 3h52B-3ry9A:
27.8		 3h52B-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.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 437
GLY A 436
LEU A 295
CYH A 362
ILE A 421
 None
 1.15A 3h52B-3vf1A:
undetectable		 3h52B-3vf1A:
17.64
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 GLY A 256
GLY A 257
LEU A 379
ARG A 231
MET A 304
 None
 1.21A 3h52B-4adeA:
undetectable		 3h52B-4adeA:
19.61
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 GLY A 119
GLY A 120
VAL A 116
LEU A 348
ILE A 122
 None
 0.90A 3h52B-4bhdA:
undetectable		 3h52B-4bhdA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Toxoplasma
gondii) 		PF00274
(Glycolytic) 		5 GLY A 297
GLN A 250
VAL A 255
LEU A 288
ILE A  93
 None
 1.25A 3h52B-4d2jA:
undetectable		 3h52B-4d2jA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 GLY A 144
GLY A 165
VAL A 166
MET A  89
ILE A 123
 None
 1.28A 3h52B-4f4wA:
undetectable		 3h52B-4f4wA:
21.80
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.
4frf INOSITOL
POLYPHOSPHATE
MULTIKINASE ALPHA

(Arabidopsis
thaliana) 		PF03770
(IPK) 		5 GLY A 265
GLY A 264
LEU A 202
MET A  97
CYH A 220
 None
 1.12A 3h52B-4frfA:
undetectable		 3h52B-4frfA:
23.92
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		5 GLY A 367
GLN A 325
VAL A 324
MET A 460
ILE A 369
 None
None
None
FAD  A 501 (-4.4A)
None
 1.22A 3h52B-4i59A:
undetectable		 3h52B-4i59A:
18.65
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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 259
GLY A 258
VAL A 233
LEU A  29
MET A  27
 None
 1.10A 3h52B-4m1eA:
undetectable		 3h52B-4m1eA:
22.84
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.
4og1 ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 GLY A 121
GLY A 122
GLN A 124
VAL A 125
ILE A  40
 None
 0.83A 3h52B-4og1A:
undetectable		 3h52B-4og1A:
22.47
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
GLY A 568
GLN A 570
VAL A 571
LEU A 608
ARG A 611
MET A 639
CYH A 643
MET A 646
 MOF  A 801 (-3.4A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 3.7A)
MOF  A 801 (-4.4A)
 0.68A 3h52B-4p6wA:
29.3		 3h52B-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) 		10 GLY A 567
GLY A 568
GLN A 570
VAL A 571
LEU A 608
ARG A 611
MET A 639
MET A 646
CYH A 736
ILE A 756
 MOF  A 801 (-3.4A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.7A)
None
 0.72A 3h52B-4p6wA:
29.3		 3h52B-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) 		6 GLY A 567
LEU A 608
ARG A 611
CYH A 643
MET A 646
ILE A 757
 MOF  A 801 (-3.4A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 ( 3.7A)
MOF  A 801 (-4.4A)
None
 1.32A 3h52B-4p6wA:
29.3		 3h52B-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
CYH A 736
ILE A 756
 None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
None
 1.09A 3h52B-4p6wA:
29.3		 3h52B-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
GLY A 568
VAL A 571
LEU A 608
ARG A 611
MET A 639
CYH A 643
MET A 646
 MOF  A 801 (-3.9A)
None
None
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 3.7A)
MOF  A 801 (-4.4A)
 0.87A 3h52B-4p6wA:
29.3		 3h52B-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 MET A 560
GLY A 568
VAL A 571
LEU A 608
ARG A 611
MET A 639
MET A 646
CYH A 736
ILE A 756
 MOF  A 801 (-3.9A)
None
None
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.7A)
None
 0.93A 3h52B-4p6wA:
29.3		 3h52B-4p6wA:
94.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pvg TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A 464
GLY A 467
GLN A 506
VAL A 505
ILE A 514
 2WT  A 601 ( 3.9A)
None
2WT  A 601 (-3.4A)
None
None
 1.14A 3h52B-4pvgA:
undetectable		 3h52B-4pvgA:
17.41
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.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 GLY A 142
GLY A 143
GLN A 141
MET A 282
ILE A 254
 None
 1.13A 3h52B-4rxtA:
undetectable		 3h52B-4rxtA:
22.32
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 GLN A 776
LEU A 814
ARG A 817
CYH A 849
MET A 852
 CV7  A1987 (-3.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.2A)
CV7  A1987 ( 3.7A)
 0.79A 3h52B-4udbA:
27.5		 3h52B-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) 		7 GLY A 774
GLN A 776
LEU A 814
ARG A 817
MET A 852
CYH A 942
ILE A 963
 None
CV7  A1987 (-3.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-4.0A)
None
 0.89A 3h52B-4udbA:
27.5		 3h52B-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 814
ARG A 817
CYH A 849
MET A 852
ILE A 964
 CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.2A)
CV7  A1987 ( 3.7A)
None
 0.94A 3h52B-4udbA:
27.5		 3h52B-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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 GLY A  26
VAL A  49
LEU A  57
MET A 376
ILE A  33
 None
None
HEM  A 501 (-3.6A)
None
None
 1.17A 3h52B-4xydA:
undetectable		 3h52B-4xydA:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 610
GLY A 609
VAL A 612
ARG A 256
ILE A 651
 None
 1.26A 3h52B-4zohA:
undetectable		 3h52B-4zohA:
15.64
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 GLY A  33
GLY A  34
VAL A 179
LEU A 152
ILE A 252
 None
 1.11A 3h52B-5a62A:
undetectable		 3h52B-5a62A:
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 MET A 270
GLY A  18
GLY A  15
LEU A  25
ILE A  78
 None
 1.27A 3h52B-5butA:
undetectable		 3h52B-5butA:
22.95
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.
5e16 CGMP-DEPENDENT
PROTEIN KINASE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 GLY A 122
MET A  48
MET A  74
CYH A  59
ILE A 127
 PCG  A 601 (-3.6A)
None
None
None
None
 1.16A 3h52B-5e16A:
undetectable		 3h52B-5e16A:
19.11
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 142
GLY A 143
VAL A 170
CYH A 100
ILE A 288
 None
 1.13A 3h52B-5gmsA:
undetectable		 3h52B-5gmsA:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 GLY A 464
GLY A 467
GLN A 506
VAL A 505
ILE A 514
 None
 1.23A 3h52B-5i6vA:
undetectable		 3h52B-5i6vA:
17.71
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.
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae) 		no annotation 5 GLY D  73
GLN D 107
VAL D 105
ARG D 110
ILE D  18
 C2E  D 301 (-3.3A)
C2E  D 301 ( 4.1A)
None
None
None
 1.14A 3h52B-5kgoD:
undetectable		 3h52B-5kgoD:
20.96
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		5 GLY A 586
GLY A 585
VAL A 583
LEU A 577
ILE A 225
 None
 1.13A 3h52B-5kkbA:
undetectable		 3h52B-5kkbA:
19.29
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.
5lac 3CL PROTEASE

(Alphamesonivirus
1) 		PF17222
(Peptidase_C107) 		5 GLY A 155
GLY A 154
LEU A 132
MET A  15
ILE A  45
 None
 1.26A 3h52B-5lacA:
undetectable		 3h52B-5lacA:
22.36
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLY Q 376
GLY Q 375
GLN Q 401
VAL Q 402
ILE Q 382
 None
 1.28A 3h52B-5lcwQ:
undetectable		 3h52B-5lcwQ:
20.41
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLY R 376
GLY R 375
GLN R 401
VAL R 402
ILE R 382
 None
 1.28A 3h52B-5lcwR:
undetectable		 3h52B-5lcwR:
18.40
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 GLN A 776
LEU A 814
ARG A 817
CYH A 849
ILE A 964
 ECV  A1101 (-2.9A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.8A)
None
 1.07A 3h52B-5mwpA:
26.6		 3h52B-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 7 GLY A 774
GLN A 776
LEU A 814
ARG A 817
CYH A 849
CYH A 942
ILE A 963
 None
ECV  A1101 (-2.9A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.0A)
None
 0.92A 3h52B-5mwpA:
26.6		 3h52B-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.
5o32 COMPLEMENT FACTOR I

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY I 343
GLY I 342
GLN I 485
VAL I 341
LEU I 484
 None
 1.21A 3h52B-5o32I:
undetectable		 3h52B-5o32I:
17.98
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 GLY f 201
GLY f 200
GLN f 205
MET f 162
ILE f 189
 None
 1.20A 3h52B-5t0hf:
undetectable		 3h52B-5t0hf:
15.61
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 GLY A 234
GLY A 235
GLN A 231
VAL A 236
ARG A 151
 None
 1.22A 3h52B-5ti8A:
undetectable		 3h52B-5ti8A:
20.39
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 9 GLY A 563
GLY A 564
GLN A 566
VAL A 567
LEU A 604
ARG A 607
MET A 635
CYH A 639
MET A 642
 486  A 801 (-3.7A)
486  A 801 ( 3.8A)
486  A 801 (-2.8A)
None
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 ( 3.9A)
486  A 801 ( 3.8A)
 0.53A 3h52B-5uc1A:
20.7		 3h52B-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) 		7 GLY A  36
GLN A  39
LEU A  77
ARG A  80
CYH A 112
MET A 115
ILE A 226
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
1TA  A 301 ( 2.8A)
None
 1.32A 3h52B-5ufsA:
29.3		 3h52B-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) 		11 GLY A  36
GLY A  37
GLN A  39
VAL A  40
LEU A  77
ARG A  80
MET A 108
CYH A 112
MET A 115
CYH A 205
ILE A 225
 1TA  A 301 (-2.9A)
None
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.6A)
None
 0.78A 3h52B-5ufsA:
29.3		 3h52B-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
CYH A 205
ILE A 225
 None
1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.6A)
None
 1.09A 3h52B-5ufsA:
29.3		 3h52B-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 MET A  29
GLY A  36
GLY A  37
VAL A  40
ARG A  80
MET A 108
CYH A 112
ILE A 225
 1TA  A 301 ( 2.9A)
1TA  A 301 (-2.9A)
None
None
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 3.6A)
None
 0.90A 3h52B-5ufsA:
29.3		 3h52B-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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 GLY A 856
GLY A 855
VAL A 854
LEU A 797
MET A 789
 None
 1.24A 3h52B-5ve8A:
undetectable		 3h52B-5ve8A:
13.46
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load) 		5 GLY A 411
GLY A 410
GLN A 406
VAL A 405
CYH A 460
 None
 1.08A 3h52B-5w94A:
undetectable		 3h52B-5w94A:
18.59
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.
5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X

(Homo sapiens) 		no annotation 5 GLY A1867
VAL A1866
LEU A1822
MET A1824
ILE A1578
 None
 1.04A 3h52B-5wchA:
undetectable		 3h52B-5wchA:
14.53
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 GLY A 381
GLY A 382
VAL A 385
MET A 208
ILE A 192
 None
 0.89A 3h52B-5xviA:
undetectable		 3h52B-5xviA:
15.16
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A  27
VAL A  57
MET A 231
CYH A 170
ILE A 115
 None
 1.18A 3h52B-6bngA:
undetectable		 3h52B-6bngA:
14.96
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A  28
LEU A 269
MET A 231
CYH A 170
ILE A  97
 None
 1.24A 3h52B-6bngA:
undetectable		 3h52B-6bngA:
14.96
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.
6f5o RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 5 GLY B 162
GLY B 161
VAL B 119
LEU B 114
ILE B 147
 None
 1.21A 3h52B-6f5oB:
undetectable		 3h52B-6f5oB:
17.15
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.
6f5o RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 5 GLY B 304
VAL B 302
LEU B 440
CYH B 469
ILE B 462
 None
 1.23A 3h52B-6f5oB:
undetectable		 3h52B-6f5oB:
17.15
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.
6gbn -

(-) 		no annotation 5 GLY A 135
GLY A 136
LEU A 347
MET A 361
ILE A 115
 None
None
NAD  A 502 (-3.9A)
ADN  A 501 (-3.6A)
None
 1.24A 3h52B-6gbnA:
undetectable		 3h52B-6gbnA:
undetectable