SIMILAR PATTERNS OF AMINO ACIDS FOR 1GS4_A_ZK5A1918

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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ASN A 136
LEU A 138
GLY A 139
MET A  16
LEU A 156
 None
None
None
OCP  A 382 (-4.1A)
None
 0.94A 1gs4A-1ex9A:
undetectable		 1gs4A-1ex9A:
24.30
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.
1gxn PECTATE LYASE

(Cellvibrio
japonicus) 		PF09492
(Pec_lyase) 		5 GLY A 366
GLN A 361
MET A 397
VAL A 416
ALA A 457
 None
 1.14A 1gs4A-1gxnA:
undetectable		 1gs4A-1gxnA:
20.29
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.
1i60 IOLI PROTEIN

(Bacillus
subtilis) 		PF01261
(AP_endonuc_2) 		5 LEU A 171
GLY A 170
VAL A 104
ALA A  64
LEU A  63
 None
 1.01A 1gs4A-1i60A:
undetectable		 1gs4A-1i60A:
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 464
LEU A 463
GLY A 462
ALA A 483
LEU A 482
 None
 1.10A 1gs4A-1kclA:
undetectable		 1gs4A-1kclA:
15.99
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 LEU C 480
LEU C 486
GLY C 485
ALA B 419
LEU B 418
 None
 1.18A 1gs4A-1o7dC:
undetectable		 1gs4A-1o7dC:
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 465
LEU A 464
GLY A 463
ALA A 483
LEU A 482
 None
 1.10A 1gs4A-1qhoA:
undetectable		 1gs4A-1qhoA:
16.72
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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 LEU A 250
ASN A 249
GLN A 247
VAL A 267
ALA A 255
PHE A 215
 None
 1.12A 1gs4A-1ub7A:
undetectable		 1gs4A-1ub7A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 164
LEU A 165
GLY A 166
MET A 365
ALA A 127
 None
 1.06A 1gs4A-1uedA:
undetectable		 1gs4A-1uedA:
20.44
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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		5 LEU A 122
ASN A 123
LEU A 125
GLY A 126
LEU A 139
 None
 1.07A 1gs4A-1vqtA:
undetectable		 1gs4A-1vqtA:
20.62
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 LEU A 302
GLY A 301
ALA A 431
LEU A 324
PHE A 326
 None
 1.11A 1gs4A-1x3lA:
undetectable		 1gs4A-1x3lA:
18.75
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
LEU A 327
TRP A 361
MET A 362
VAL A 366
 None
 0.67A 1gs4A-1xb7A:
26.7		 1gs4A-1xb7A:
25.75
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) 		10 LEU A 704
ASN A 705
LEU A 707
GLY A 708
GLN A 711
MET A 742
VAL A 746
MET A 780
LEU A 880
PHE A 891
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.3A)
None
None
 0.58A 1gs4A-2ax9A:
40.8		 1gs4A-2ax9A:
99.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 704
ASN A 705
TRP A 741
MET A 742
VAL A 746
MET A 780
LEU A 880
PHE A 891
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
None
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.3A)
None
None
 1.03A 1gs4A-2ax9A:
40.8		 1gs4A-2ax9A:
99.19
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.
2e5j METHENYLTETRAHYDROFO
LATE SYNTHETASE
DOMAIN CONTAINING

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 362
LEU A 365
GLY A 364
ALA A 375
LEU A 376
 None
 1.17A 1gs4A-2e5jA:
undetectable		 1gs4A-2e5jA:
15.25
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.
2fd5 TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		5 LEU A  20
GLY A  24
VAL A 113
ALA A 157
LEU A 156
 None
 1.18A 1gs4A-2fd5A:
undetectable		 1gs4A-2fd5A:
20.83
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 166
LEU A 171
GLY A 170
ALA A 224
LEU A 222
 None
 1.18A 1gs4A-2g17A:
undetectable		 1gs4A-2g17A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hsz NOVEL PREDICTED
PHOSPHATASE

(Histophilus
somni) 		PF13419
(HAD_2) 		5 GLY A  87
VAL A 125
ALA A  51
LEU A  54
PHE A  82
 None
None
UNL  A 227 (-3.6A)
UNL  A 227 ( 4.9A)
UNL  A 227 (-3.8A)
 1.09A 1gs4A-2hszA:
undetectable		 1gs4A-2hszA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 LEU A 316
GLY A 152
VAL A 272
LEU A 132
PHE A 148
 None
PLP  A1494 (-3.5A)
None
None
None
 1.17A 1gs4A-2jisA:
undetectable		 1gs4A-2jisA:
18.07
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.
2k77 NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF02861
(Clp_N) 		5 LEU A 124
ASN A 125
LEU A 127
GLY A 128
LEU A 131
 None
 1.11A 1gs4A-2k77A:
undetectable		 1gs4A-2k77A:
20.97
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.
2mgs C-X-C MOTIF
CHEMOKINE 5

(Homo sapiens) 		PF00048
(IL8) 		5 LEU A  63
GLY A  21
GLN A  20
ALA A  46
LEU A  30
 None
 1.03A 1gs4A-2mgsA:
undetectable		 1gs4A-2mgsA:
18.37
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.
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		5 LEU A  72
ASN A  73
LEU A  75
GLY A  76
VAL A 121
 None
 1.03A 1gs4A-2ozkA:
undetectable		 1gs4A-2ozkA:
21.11
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.
2p0k POLYCOMB PROTEIN
SCMH1

(Homo sapiens) 		PF02820
(MBT) 		5 LEU A  88
LEU A  83
GLY A  82
ALA A  78
PHE A 101
 None
 1.19A 1gs4A-2p0kA:
undetectable		 1gs4A-2p0kA:
20.77
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		5 LEU A   3
GLY A  34
VAL A  67
ALA A  25
LEU A  24
 None
 1.17A 1gs4A-2pcqA:
undetectable		 1gs4A-2pcqA:
20.39
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 LEU A  32
ASN A  33
LEU A  35
GLN A  39
TRP A  69
MET A  70
MET A 108
PHE A 219
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 (-4.5A)
 0.50A 1gs4A-2q3yA:
37.1		 1gs4A-2q3yA:
59.27
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		5 LEU A  15
GLY A  13
MET A 316
ALA A 337
LEU A 336
 None
 0.94A 1gs4A-2qtyA:
undetectable		 1gs4A-2qtyA:
22.13
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		5 LEU A 549
ASN A 546
LEU A 548
ALA A 457
LEU A 461
 None
 1.19A 1gs4A-2w6dA:
undetectable		 1gs4A-2w6dA:
15.90
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 LEU A 104
LEU A 107
GLY A 108
MET A 134
LEU A 146
 None
 1.09A 1gs4A-2y8uA:
undetectable		 1gs4A-2y8uA:
21.15
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 LEU A  60
ASN A  61
LEU A  79
GLY A  62
ALA A  49
 None
 1.14A 1gs4A-2yb4A:
undetectable		 1gs4A-2yb4A:
21.60
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.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 180
LEU A 208
MET A 201
VAL A 197
LEU A 152
 None
 1.16A 1gs4A-2z65A:
undetectable		 1gs4A-2z65A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		5 LEU B  98
GLY B 100
ALA A  22
LEU A  25
PHE B 103
 None
 1.15A 1gs4A-2zpbB:
undetectable		 1gs4A-2zpbB:
20.74
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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 LEU A 106
GLY A 108
GLN A 135
ALA A 255
LEU A 256
 None
 1.18A 1gs4A-2zyjA:
undetectable		 1gs4A-2zyjA:
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 LEU A 356
GLY A 359
VAL A  77
ALA A 339
LEU A 338
 None
 1.02A 1gs4A-3a3iA:
undetectable		 1gs4A-3a3iA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 501
LEU A 511
GLY A 512
ALA A 545
PHE A 516
 None
 1.09A 1gs4A-3cdiA:
undetectable		 1gs4A-3cdiA:
15.47
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 209
GLN A 210
VAL A 239
ALA A 158
LEU A 161
 None
 1.14A 1gs4A-3dipA:
undetectable		 1gs4A-3dipA:
20.77
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.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		5 GLY A  89
VAL A  83
ALA A 207
LEU A 204
PHE A  35
 None
 0.79A 1gs4A-3dmpA:
undetectable		 1gs4A-3dmpA:
19.33
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.
3e20 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Schizosaccharomyces
pombe) 		no annotation 5 LEU C 372
GLN C  20
ALA C 378
LEU C 377
PHE C 390
 None
 1.12A 1gs4A-3e20C:
undetectable		 1gs4A-3e20C:
19.13
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.
3e4b ALGK

(Pseudomonas
fluorescens) 		no annotation 5 LEU A  29
LEU A  32
GLY A  33
MET A 114
LEU A  41
 None
 0.66A 1gs4A-3e4bA:
undetectable		 1gs4A-3e4bA:
17.63
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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		5 LEU A  71
LEU A 372
GLY A  67
ALA A  88
LEU A  87
 None
 1.16A 1gs4A-3e73A:
undetectable		 1gs4A-3e73A:
20.05
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)

(Archaeoglobus
fulgidus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 239
ASN A 238
LEU A 236
GLY A 235
ALA A 204
 None
 1.12A 1gs4A-3g7sA:
undetectable		 1gs4A-3g7sA:
19.27
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 LEU A 147
GLY A 145
VAL A 182
ALA A 224
LEU A 223
 LEU  A 147 ( 0.6A)
GLY  A 145 ( 0.0A)
VAL  A 182 ( 0.6A)
ALA  A 224 ( 0.0A)
LEU  A 223 ( 0.5A)
 1.15A 1gs4A-3gnrA:
undetectable		 1gs4A-3gnrA:
20.70
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 LEU A 489
LEU A 486
GLN A 513
ALA A 555
PHE A 507
 None
 0.91A 1gs4A-3hjrA:
undetectable		 1gs4A-3hjrA:
17.38
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 ASN A 719
TRP A 755
MET A 756
VAL A 760
PHE A 905
 WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-4.6A)
 0.88A 1gs4A-3kbaA:
35.2		 1gs4A-3kbaA:
55.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 718
ASN A 719
LEU A 721
GLY A 722
GLN A 725
MET A 756
VAL A 760
PHE A 905
 WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-4.6A)
 0.54A 1gs4A-3kbaA:
35.2		 1gs4A-3kbaA:
55.20
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.
3nib TEG14

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 LEU A  86
VAL A  89
ALA A  70
LEU A  75
PHE A 155
 None
 1.09A 1gs4A-3nibA:
undetectable		 1gs4A-3nibA:
19.63
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		5 LEU A 100
LEU A 103
GLY A 104
GLN A 107
MET A 295
 None
 1.01A 1gs4A-3opsA:
undetectable		 1gs4A-3opsA:
18.55
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.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		5 LEU A  29
GLY A  23
VAL A  42
ALA A 331
LEU A 328
 None
FAD  A 401 (-3.2A)
None
None
None
 1.11A 1gs4A-3p9uA:
undetectable		 1gs4A-3p9uA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfm GGDEF DOMAIN PROTEIN

(Pseudomonas
protegens) 		PF00563
(EAL) 		5 LEU A 550
LEU A 553
GLY A 554
ALA A 578
LEU A 577
 None
 1.00A 1gs4A-3pfmA:
undetectable		 1gs4A-3pfmA:
22.22
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.
3pju CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL) 		5 LEU A 550
LEU A 553
GLY A 554
ALA A 578
LEU A 577
 None
 1.03A 1gs4A-3pjuA:
undetectable		 1gs4A-3pjuA:
23.83
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.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 LEU A 550
LEU A 553
GLY A 554
ALA A 578
LEU A 577
 EDO  A   3 ( 4.8A)
None
None
EDO  A   3 ( 4.7A)
None
 0.94A 1gs4A-3pjxA:
undetectable		 1gs4A-3pjxA:
21.79
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 LEU A  32
ASN A  33
LEU A  35
GLY A  36
GLN A  39
TRP A  69
MET A  70
MET A 108
PHE A 219
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.6A)
1CA  A 249 (-4.3A)
 0.69A 1gs4A-3ry9A:
36.7		 1gs4A-3ry9A:
55.24
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 LEU A 116
GLY A  75
VAL A  68
ALA A 228
LEU A 231
 None
 1.12A 1gs4A-3stiA:
undetectable		 1gs4A-3stiA:
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.
3t2n SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09272
(Hepsin-SRCR) 		5 LEU A  96
LEU A 278
GLY A  94
ALA A  98
LEU A  99
 None
 0.95A 1gs4A-3t2nA:
undetectable		 1gs4A-3t2nA:
19.20
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 GLY A 427
GLN A 428
ALA A 365
LEU A 364
PHE A 433
 None
 1.12A 1gs4A-3ucqA:
undetectable		 1gs4A-3ucqA:
16.44
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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		5 LEU A 185
ASN A 186
LEU A 188
GLN A 192
PHE A 249
 None
 1.02A 1gs4A-3wxbA:
undetectable		 1gs4A-3wxbA:
20.28
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 LEU B 154
ASN B 155
GLY B 158
GLN B 161
VAL B 225
 None
 1.04A 1gs4A-3ze7B:
undetectable		 1gs4A-3ze7B:
18.79
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.
4acq ALPHA-2-MACROGLOBULI
N

(Homo sapiens) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 LEU A 828
GLN A 843
VAL A 839
ALA A 812
LEU A 796
 None
 1.18A 1gs4A-4acqA:
undetectable		 1gs4A-4acqA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 LEU A  39
LEU A  42
GLY A  43
VAL A  10
ALA A  87
 None
 1.08A 1gs4A-4aieA:
undetectable		 1gs4A-4aieA:
18.73
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 188
LEU A 191
GLY A 192
VAL A 161
LEU A 250
 None
 1.12A 1gs4A-4cnsA:
undetectable		 1gs4A-4cnsA:
19.33
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 188
LEU A 191
GLY A 192
VAL A 161
LEU A 250
 None
 1.10A 1gs4A-4cntA:
undetectable		 1gs4A-4cntA:
17.96
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.
4din CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-BETA REGULATORY
SUBUNIT

(Homo sapiens) 		PF00027
(cNMP_binding)
PF02197
(RIIa) 		5 GLY B 166
GLN B 164
VAL B 162
ALA B 202
LEU B 201
 None
 1.15A 1gs4A-4dinB:
undetectable		 1gs4A-4dinB:
18.70
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.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		5 LEU C  21
LEU C  25
GLY C  45
VAL C 133
ALA C  52
 None
 1.18A 1gs4A-4iitC:
2.6		 1gs4A-4iitC:
23.13
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 145
GLY A  85
ALA A 334
LEU A 337
PHE A 148
 None
CO2  A 505 ( 4.1A)
None
None
None
 0.91A 1gs4A-4ip4A:
undetectable		 1gs4A-4ip4A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lds BICYCLOMYCIN
RESISTANCE PROTEIN
TCAB

(Staphylococcus
epidermidis) 		PF00083
(Sugar_tr) 		5 LEU A 307
LEU A 306
GLY A 309
MET A 314
ALA A 414
 None
 1.13A 1gs4A-4ldsA:
undetectable		 1gs4A-4ldsA:
21.95
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 LEU A 176
MET A 198
ALA A  72
LEU A  75
PHE A 139
 None
 1.19A 1gs4A-4mllA:
undetectable		 1gs4A-4mllA:
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 LEU A 283
LEU A 286
TRP A 320
MET A 321
MET A 358
LEU A 454
PHE A 462
 None
 0.96A 1gs4A-4n1yA:
29.1		 1gs4A-4n1yA:
28.69
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.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		5 LEU A 250
ASN A 251
LEU A 253
GLY A 254
LEU A 187
 None
 1.18A 1gs4A-4nzpA:
undetectable		 1gs4A-4nzpA:
20.53
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.
4oyy CUTINASE

(Humicola
insolens) 		PF01083
(Cutinase) 		5 LEU A   9
GLY A   8
VAL A  58
ALA A  43
LEU A  46
 None
 1.19A 1gs4A-4oyyA:
undetectable		 1gs4A-4oyyA:
18.78
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT D

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		5 LEU D 139
GLY D 138
MET D 194
ALA D  22
LEU D  23
 None
 1.11A 1gs4A-4p6vD:
undetectable		 1gs4A-4p6vD:
22.39
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 ASN A 564
GLY A 568
GLN A 570
TRP A 600
MET A 601
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
 1.30A 1gs4A-4p6wA:
33.3		 1gs4A-4p6wA:
51.20
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 LEU A 563
ASN A 564
LEU A 566
GLY A 567
GLN A 570
TRP A 600
MET A 601
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
 0.74A 1gs4A-4p6wA:
33.3		 1gs4A-4p6wA:
51.20
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.
4pww OR494

(synthetic
construct) 		no annotation 5 MET A   3
VAL A  49
ALA A  61
LEU A  64
PHE A   7
 None
 1.14A 1gs4A-4pwwA:
undetectable		 1gs4A-4pwwA:
15.73
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A  95
LEU A  94
ALA A 103
LEU A 106
PHE A 109
 None
None
None
KCX  A 108 ( 3.9A)
KCX  A 108 ( 4.6A)
 1.08A 1gs4A-4s38A:
undetectable		 1gs4A-4s38A:
20.58
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 LEU A 769
ASN A 770
LEU A 772
GLN A 776
TRP A 806
MET A 807
PHE A 956
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.7A)
 0.77A 1gs4A-4udbA:
34.0		 1gs4A-4udbA:
52.59
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.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		5 LEU A 237
GLY A 192
ALA A 110
LEU A 107
PHE A 199
 None
 1.17A 1gs4A-4ueuA:
undetectable		 1gs4A-4ueuA:
19.37
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 LEU A 572
LEU A 575
GLY A 576
VAL A 430
LEU A 599
 None
 1.02A 1gs4A-4umvA:
undetectable		 1gs4A-4umvA:
16.35
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 LEU A  40
LEU A  43
GLY A  44
VAL A  11
ALA A  88
 None
 1.11A 1gs4A-4xb3A:
undetectable		 1gs4A-4xb3A:
18.62
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.
4xpd N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX SUBUNIT NAT1

(Saccharomyces
cerevisiae) 		PF12569
(NARP1) 		5 LEU A 428
LEU A 431
GLY A 432
ALA A 438
LEU A 441
 None
 1.13A 1gs4A-4xpdA:
undetectable		 1gs4A-4xpdA:
13.39
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.
5cuk RULER PROTEIN

(Pseudomonas
aeruginosa) 		PF02120
(Flg_hook) 		5 LEU A 294
GLY A 317
ALA A 325
LEU A 329
PHE A 346
 None
 1.19A 1gs4A-5cukA:
undetectable		 1gs4A-5cukA:
21.92
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.
5dt9 ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Vibrio cholerae) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 LEU A 110
LEU A 113
GLN A 117
MET A 147
LEU A 316
 None
 1.12A 1gs4A-5dt9A:
undetectable		 1gs4A-5dt9A:
22.08
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.
5e38 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF14681
(UPRTase) 		5 GLY A  81
VAL A  75
ALA A 199
LEU A 196
PHE A  28
 None
 0.96A 1gs4A-5e38A:
undetectable		 1gs4A-5e38A:
20.08
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A 215
LEU A 218
GLY A 219
ALA A 193
LEU A 197
 None
 0.99A 1gs4A-5f56A:
undetectable		 1gs4A-5f56A:
17.21
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 LEU A 439
GLY A 438
VAL A 343
ALA A 385
LEU A 388
 None
 1.16A 1gs4A-5gooA:
undetectable		 1gs4A-5gooA:
18.80
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 LEU b 357
LEU b 363
GLN b 374
ALA b 400
LEU b 401
 None
 1.16A 1gs4A-5l9wb:
undetectable		 1gs4A-5l9wb:
16.77
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 LEU A1889
GLY A  91
GLN A  95
VAL A1850
LEU A1963
 None
 1.02A 1gs4A-5lkiA:
undetectable		 1gs4A-5lkiA:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		5 ASN A 336
LEU A 201
GLY A 200
VAL A 180
MET A 324
 None
 1.12A 1gs4A-5ly3A:
undetectable		 1gs4A-5ly3A:
21.27
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		5 ASN A 463
LEU A 465
GLY A 466
VAL A 312
ALA A 383
 7O9  A 602 (-3.8A)
None
None
None
None
 0.72A 1gs4A-5mjuA:
undetectable		 1gs4A-5mjuA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 8 LEU A 769
ASN A 770
LEU A 772
GLN A 776
TRP A 806
MET A 807
MET A 845
PHE A 956
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.7A)
 0.75A 1gs4A-5mwpA:
37.0		 1gs4A-5mwpA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 5 LEU A 254
ASN A 255
LEU A 162
GLY A 242
VAL A 236
 None
 1.18A 1gs4A-5na4A:
undetectable		 1gs4A-5na4A:
16.74
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 6 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 597
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
 0.86A 1gs4A-5uc1A:
23.3		 1gs4A-5uc1A:
51.25
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 LEU A 559
ASN A 560
LEU A 562
GLY A 563
GLN A 566
MET A 635
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 4.7A)
 1.00A 1gs4A-5uc1A:
23.3		 1gs4A-5uc1A:
51.25
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) 		6 ASN A  33
GLY A  37
GLN A  39
TRP A  69
MET A  70
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.0A)
 1.29A 1gs4A-5ufsA:
35.3		 1gs4A-5ufsA:
55.02
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 LEU A  32
ASN A  33
LEU A  35
GLY A  36
GLN A  39
MET A 108
PHE A 218
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.0A)
1TA  A 301 (-4.0A)
 0.89A 1gs4A-5ufsA:
35.3		 1gs4A-5ufsA:
55.02
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
ASN A  33
LEU A  35
GLY A  36
GLN A  39
TRP A  69
MET A  70
PHE A 218
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.0A)
 0.75A 1gs4A-5ufsA:
35.3		 1gs4A-5ufsA:
55.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 LEU A  76
ASN A  77
LEU A  79
VAL A  42
LEU A 105
 None
 1.16A 1gs4A-5xniA:
undetectable		 1gs4A-5xniA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 5 LEU A 116
GLY A 138
MET A 160
VAL A 158
ALA A 168
 None
 1.12A 1gs4A-5xvhA:
undetectable		 1gs4A-5xvhA:
17.96
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.
5y28 -

(-) 		no annotation 5 ASN A 114
GLY A 100
VAL A 126
ALA A 149
LEU A 148
 None
 1.12A 1gs4A-5y28A:
undetectable		 1gs4A-5y28A:
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.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 5 LEU A 419
GLY A 374
ALA A 293
LEU A 290
PHE A 381
 None
 1.16A 1gs4A-6cz4A:
undetectable		 1gs4A-6cz4A:
17.14
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.
6ejf -

(-) 		no annotation 5 LEU J 166
GLN J 174
TRP J 177
ALA J 216
LEU J 221
 None
 1.08A 1gs4A-6ejfJ:
undetectable		 1gs4A-6ejfJ:
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.
6fuz KINESIN LIGHT CHAIN
1,KINESIN LIGHT
CHAIN
1,C-JUN-AMINO-TERMIN
AL
KINASE-INTERACTING
PROTEIN 1

(Homo sapiens;
Mus musculus) 		no annotation 5 LEU A 470
ASN A 469
LEU A 467
ALA A 388
LEU A 392
 None
 1.18A 1gs4A-6fuzA:
undetectable		 1gs4A-6fuzA:
17.22
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.
6gng -

(-) 		no annotation 5 LEU A 373
LEU A 377
GLY A 378
ALA A 406
LEU A 398
 None
 1.13A 1gs4A-6gngA:
undetectable		 1gs4A-6gngA:
undetectable
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) 		4 MET A 745
MET A 749
ARG A 752
VAL A 889
 BHM  A   1 (-3.9A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
None
 0.45A 1gs4A-2ax9A:
40.8		 1gs4A-2ax9A:
99.19
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		4 HIS A  98
MET A  74
ARG A 268
VAL A  91
 FE  A 301 (-3.2A)
None
None
None
 1.46A 1gs4A-2huoA:
0.0		 1gs4A-2huoA:
21.26
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 HIS A 255
MET A   1
MET A   3
VAL A 236
 None
 1.41A 1gs4A-4j8bA:
0.0		 1gs4A-4j8bA:
21.41