SIMILAR PATTERNS OF AMINO ACIDS FOR 4OKW_A_198A1001_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 174
GLY A 175
ARG A 285
THR A 267
ILE A 237
 None
 1.32A 4okwA-1b0kA:
0.0		 4okwA-1b0kA:
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A 134
VAL A 212
ARG A  45
ILE A 154
VAL A 196
 None
 1.33A 4okwA-1fobA:
0.0		 4okwA-1fobA:
20.35
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.
1fts FTSY

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A 480
GLY A 472
VAL A 304
ILE A 457
VAL A 456
 None
 1.16A 4okwA-1ftsA:
1.0		 4okwA-1ftsA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjq BETA-1,4-GALACTANASE

(Humicola
insolens) 		PF07745
(Glyco_hydro_53) 		5 GLY A 133
VAL A 211
ARG A  45
ILE A 153
VAL A 195
 None
 1.35A 4okwA-1hjqA:
0.0		 4okwA-1hjqA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila) 		PF07745
(Glyco_hydro_53) 		5 GLY A 133
VAL A 211
ARG A  45
ILE A 153
VAL A 195
 None
None
TRS  A 704 ( 4.1A)
None
None
 1.32A 4okwA-1hjuA:
0.0		 4okwA-1hjuA:
21.31
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.
1md7 C1R COMPLEMENT
SERINE PROTEASE

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 472
GLN A 461
VAL A 576
ILE A 541
VAL A 673
 None
 1.34A 4okwA-1md7A:
undetectable		 4okwA-1md7A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 802
GLN B 804
HIS B 793
ILE B 668
VAL B 777
 None
 1.18A 4okwA-1n60B:
0.0		 4okwA-1n60B:
14.41
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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		5 LEU A 319
GLY A 361
VAL A 287
ILE A  86
VAL A  81
 None
None
None
HMG  A1002 ( 4.9A)
None
 1.34A 4okwA-1qaxA:
0.0		 4okwA-1qaxA:
19.95
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.
1qoi SNUCYP-20

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 LEU A 109
GLY A 108
MET A 151
ILE A 154
VAL A  17
 None
 1.33A 4okwA-1qoiA:
undetectable		 4okwA-1qoiA:
19.75
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.
1rpx PROTEIN
(RIBULOSE-PHOSPHATE
3-EPIMERASE)

(Solanum
tuberosum) 		PF00834
(Ribul_P_3_epim) 		5 GLY A 152
MET A  76
VAL A  44
HIS A  41
VAL A 205
 None
 1.16A 4okwA-1rpxA:
undetectable		 4okwA-1rpxA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A  22
GLY A  96
MET A 115
VAL A 113
THR A 226
 None
 1.22A 4okwA-1tqhA:
undetectable		 4okwA-1tqhA:
23.62
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.
1tqx D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00834
(Ribul_P_3_epim) 		5 GLY A 150
MET A  72
VAL A  39
HIS A  36
VAL A 199
 None
None
None
ZN  A 900 (-3.4A)
None
 1.17A 4okwA-1tqxA:
undetectable		 4okwA-1tqxA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ugs NITRILE HYDRATASE
ALPHA SUBUNIT

(Pseudonocardia
thermophila) 		PF02979
(NHase_alpha) 		5 LEU A  54
GLY A  55
MET A 195
ILE A 196
VAL A 106
 None
 1.21A 4okwA-1ugsA:
undetectable		 4okwA-1ugsA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF02615
(Ldh_2) 		5 LEU A  96
GLY A  97
GLN A  98
ILE A  90
VAL A 120
 None
 1.35A 4okwA-1v9nA:
undetectable		 4okwA-1v9nA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vgg CONSERVED
HYPOTHETICAL PROTEIN
TT1634 (TTHA1091)

(Thermus
thermophilus) 		PF04008
(Adenosine_kin) 		5 LEU A  14
GLY A  87
VAL A  66
HIS A  31
VAL A  35
 None
 1.29A 4okwA-1vggA:
undetectable		 4okwA-1vggA:
22.18
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 LEU A 349
GLY A 321
VAL A 309
ILE A 491
VAL A 291
 None
 1.32A 4okwA-1vrgA:
undetectable		 4okwA-1vrgA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xq4 PROTEIN APAG

(Bordetella
pertussis) 		PF04379
(DUF525) 		5 LEU A  71
GLY A  72
VAL A  68
ILE A  41
VAL A  39
 None
 1.28A 4okwA-1xq4A:
undetectable		 4okwA-1xq4A:
16.27
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.
1zo1 TRANSLATION
INITIATION FACTOR 2

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 LEU I 454
GLY I 466
GLN I 451
ARG I 414
ILE I 460
 None
 1.13A 4okwA-1zo1I:
undetectable		 4okwA-1zo1I:
19.48
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) 		12 LEU A 707
GLY A 708
GLN A 711
MET A 742
MET A 745
VAL A 746
ARG A 752
HIS A 874
THR A 877
MET A 895
ILE A 899
VAL A 903
 BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.9A)
BHM  A   1 (-3.6A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-3.0A)
None
None
None
 0.42A 4okwA-2ax9A:
41.9		 4okwA-2ax9A:
99.20
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.
2b8n GLYCERATE KINASE,
PUTATIVE

(Thermotoga
maritima) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 LEU A 276
GLY A 310
THR A 350
ILE A  19
VAL A  22
 None
 1.29A 4okwA-2b8nA:
undetectable		 4okwA-2b8nA:
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 GLY A 332
HIS A 336
THR A 335
MET A 401
ILE A 402
 None
 1.29A 4okwA-2cxnA:
undetectable		 4okwA-2cxnA:
19.06
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 LEU A 281
GLY A 280
VAL A 273
ARG A 363
THR A  95
 None
 1.03A 4okwA-2de2A:
undetectable		 4okwA-2de2A:
20.71
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		5 LEU A  48
GLY A  47
VAL A  70
ILE A 381
VAL A 208
 None
 1.17A 4okwA-2gmhA:
undetectable		 4okwA-2gmhA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixn SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 2

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		5 LEU A 233
GLY A 204
GLN A 207
ILE A 260
VAL A 263
 None
 1.36A 4okwA-2ixnA:
undetectable		 4okwA-2ixnA:
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 LEU A 225
GLY A 221
THR A 378
ILE A 302
VAL A 389
 LEU  A 225 ( 0.6A)
GLY  A 221 ( 0.0A)
THR  A 378 ( 0.8A)
ILE  A 302 ( 0.6A)
VAL  A 389 ( 0.6A)
 1.28A 4okwA-2ogsA:
undetectable		 4okwA-2ogsA:
19.80
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.
2psy KALLIKREIN-5

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
GLY A 140
GLN A  30
VAL A 199
ILE A  17
 None
 1.27A 4okwA-2psyA:
undetectable		 4okwA-2psyA:
23.55
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		5 LEU A  29
VAL A  75
ARG A  43
ILE A 124
VAL A 137
 CA  A1004 (-4.7A)
None
None
None
None
 1.31A 4okwA-2pvzA:
undetectable		 4okwA-2pvzA:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		6 LEU A  35
GLN A  39
MET A  70
MET A  73
ARG A  80
ILE A 227
 1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.8A)
None
 0.47A 4okwA-2q3yA:
37.0		 4okwA-2q3yA:
59.04
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 261
GLY A 259
THR A 237
ILE A 211
VAL A 209
 LEU  A 261 ( 0.6A)
GLY  A 259 ( 0.0A)
THR  A 237 ( 0.8A)
ILE  A 211 ( 0.7A)
VAL  A 209 ( 0.6A)
 1.14A 4okwA-2vbfA:
undetectable		 4okwA-2vbfA:
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 LEU A  63
GLY A  62
VAL A 361
ILE A  34
VAL A  29
 None
 1.24A 4okwA-2vunA:
undetectable		 4okwA-2vunA:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 LEU A1876
GLY A1875
HIS A1530
THR A1624
ILE A1871
 None
 1.23A 4okwA-2vz9A:
undetectable		 4okwA-2vz9A:
7.78
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.
2xrc HUMAN COMPLEMENT
FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00089
(Trypsin)
PF00530
(SRCR) 		5 GLY A 349
GLN A 336
VAL A 451
ILE A 412
VAL A 544
 None
 1.33A 4okwA-2xrcA:
undetectable		 4okwA-2xrcA:
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		5 LEU A  93
GLY A  89
GLN A  56
VAL A  54
VAL A 318
 None
ATP  A 501 (-3.2A)
None
ATP  A 501 (-4.2A)
None
 1.32A 4okwA-2xszA:
undetectable		 4okwA-2xszA:
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 LEU A 348
GLY A 349
MET A 459
ILE A 460
VAL A  10
 None
 1.27A 4okwA-2ze0A:
undetectable		 4okwA-2ze0A:
19.60
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 LEU A 207
GLY A 208
VAL A 128
HIS A 135
THR A 436
 None
 1.14A 4okwA-2zufA:
undetectable		 4okwA-2zufA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 GLY A 127
VAL A 265
THR A 255
ILE A 310
VAL A 320
 None
 1.19A 4okwA-3a0fA:
undetectable		 4okwA-3a0fA:
15.66
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.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		5 GLY A 153
MET A 233
THR A 159
ILE A 290
VAL A 352
 None
 1.36A 4okwA-3bb7A:
undetectable		 4okwA-3bb7A:
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 307
GLY A 275
HIS A  44
ILE A 248
VAL A  47
 None
 1.04A 4okwA-3bgaA:
undetectable		 4okwA-3bgaA:
13.43
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.
3ceb D-AMINOACID
AMINOTRANSFERASE-LIK
E PLP-DEPENDENT
ENZYME

(Histophilus
somni) 		PF01063
(Aminotran_4) 		5 LEU A 154
GLY A 156
ARG A 106
THR A 148
ILE A 168
 LLP  A 102 ( 4.2A)
LLP  A 102 ( 3.3A)
LLP  A 102 (-3.1A)
None
None
 1.22A 4okwA-3cebA:
undetectable		 4okwA-3cebA:
23.02
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 MET A 163
VAL A 158
MET A 223
ILE A 222
VAL A 232
 None
 1.26A 4okwA-3dc8A:
undetectable		 4okwA-3dc8A:
19.15
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 LEU A 150
GLY A 151
GLN A 155
ILE A 378
VAL A 385
 None
 0.89A 4okwA-3ddnA:
undetectable		 4okwA-3ddnA:
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
MET A  71
THR A  53
ILE A  63
VAL A  77
 SAM  A   1 (-3.5A)
None
None
None
None
 1.17A 4okwA-3douA:
undetectable		 4okwA-3douA:
22.71
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 GLY A  50
VAL A 135
THR A 440
ILE A  42
VAL A  83
 None
 1.19A 4okwA-3eqaA:
undetectable		 4okwA-3eqaA:
17.23
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		6 GLY A  58
GLN A  59
ARG A  43
THR A 244
ILE A 276
VAL A 274
 None
 1.37A 4okwA-3fhhA:
undetectable		 4okwA-3fhhA:
18.60
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		5 LEU A  11
GLY A  36
HIS A 133
THR A   6
ILE A  42
 None
 1.09A 4okwA-3iq0A:
undetectable		 4okwA-3iq0A:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 718
MET A 756
MET A 759
VAL A 760
HIS A 888
ILE A 913
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.1A)
None
None
 1.42A 4okwA-3kbaA:
34.4		 4okwA-3kbaA:
54.76
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) 		9 LEU A 721
GLY A 722
GLN A 725
MET A 756
MET A 759
VAL A 760
ARG A 766
HIS A 888
ILE A 913
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
None
 0.72A 4okwA-3kbaA:
34.4		 4okwA-3kbaA:
54.76
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 721
GLY A 722
MET A 756
MET A 759
VAL A 760
ARG A 766
HIS A 888
MET A 909
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.7A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
None
 1.12A 4okwA-3kbaA:
34.4		 4okwA-3kbaA:
54.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 626
VAL A 663
MET A 622
ILE A 601
VAL A 555
 None
 1.34A 4okwA-3komA:
undetectable		 4okwA-3komA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l06 N-ACETYLORNITHINE
CARBAMOYLTRANSFERASE

(Xanthomonas
campestris) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  58
GLY A  59
GLN A  62
MET A 330
ILE A 329
 None
 1.20A 4okwA-3l06A:
undetectable		 4okwA-3l06A:
22.41
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 GLY A 429
MET A 487
VAL A 765
THR A 426
ILE A 404
 None
 1.31A 4okwA-3la4A:
undetectable		 4okwA-3la4A:
15.00
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 MET A 487
VAL A 765
THR A 426
ILE A 404
VAL A 694
 None
 1.32A 4okwA-3la4A:
undetectable		 4okwA-3la4A:
15.00
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.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A  58
ARG A 290
THR A 156
ILE A  53
VAL A  42
 None
 1.34A 4okwA-3ldoA:
undetectable		 4okwA-3ldoA:
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 GLY A 123
HIS A 174
THR A 177
ILE A 167
VAL A 193
 None
 1.19A 4okwA-3ogzA:
undetectable		 4okwA-3ogzA:
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.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 LEU A 417
GLY A 416
GLN A  51
ILE A 390
VAL A 400
 None
 1.23A 4okwA-3ombA:
undetectable		 4okwA-3ombA:
17.79
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.
3p1z PUTATIVE
UNCHARACTERIZED
PROTEIN
TRNA-SPLICING
ENDONUCLEASE

(Aeropyrum
pernix) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		5 LEU B 158
GLY B 156
VAL B 167
ILE A 151
VAL A 149
 None
 1.33A 4okwA-3p1zB:
undetectable		 4okwA-3p1zB:
22.05
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 353
HIS A 306
THR A 302
ILE A 334
VAL A 344
 None
 1.32A 4okwA-3q4dA:
undetectable		 4okwA-3q4dA:
21.59
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.
3r6k VP1 PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 LEU A 400
GLN A 262
VAL A 319
ILE A 366
VAL A 305
 None
 1.36A 4okwA-3r6kA:
undetectable		 4okwA-3r6kA:
19.48
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 GLY A 246
VAL A  64
ARG A  85
ILE A 213
VAL A 208
 None
None
HM3  A 255 ( 4.7A)
None
None
 1.02A 4okwA-3rhyA:
undetectable		 4okwA-3rhyA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		7 LEU A  35
GLY A  36
GLN A  39
MET A  70
MET A  73
ARG A  80
ILE A 227
 1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
1CA  A 249 (-3.5A)
None
 0.58A 4okwA-3ry9A:
36.4		 4okwA-3ry9A:
54.80
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.
3tqd 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Coxiella
burnetii) 		PF02348
(CTP_transf_3) 		5 GLY A  99
GLN A  98
VAL A 184
ILE A  24
VAL A 245
 None
 1.21A 4okwA-3tqdA:
undetectable		 4okwA-3tqdA:
21.72
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 916
MET A 834
VAL A 895
MET A 934
ILE A 937
 GOL  A1904 (-4.5A)
None
None
GOL  A1905 (-4.1A)
None
 1.11A 4okwA-3va7A:
undetectable		 4okwA-3va7A:
11.24
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		5 GLY A 134
VAL A 212
ARG A  45
ILE A 154
VAL A 196
 None
None
GOL  A1343 ( 4.2A)
None
None
 1.32A 4okwA-4bf7A:
undetectable		 4okwA-4bf7A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bma UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Aspergillus
fumigatus) 		PF01704
(UDPGP) 		5 GLY A 251
GLN A 408
VAL A 413
HIS A 359
THR A 275
 None
 1.27A 4okwA-4bmaA:
undetectable		 4okwA-4bmaA:
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 LEU A 439
GLY A 440
VAL A 457
HIS A 630
ILE A 632
 None
 1.33A 4okwA-4btgA:
undetectable		 4okwA-4btgA:
15.15
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.
4cti OSMOLARITY SENSOR
PROTEIN ENVZ, AF1503

(Archaeoglobus
fulgidus;
Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		5 LEU A 503
GLY A 504
GLN A 382
ILE A 531
VAL A 470
 None
 1.27A 4okwA-4ctiA:
undetectable		 4okwA-4ctiA:
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 LEU A 146
GLN A  55
VAL A 208
THR A 130
ILE A 129
 None
 1.21A 4okwA-4f7aA:
undetectable		 4okwA-4f7aA:
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 GLY B 429
MET B 487
VAL B 765
THR B 426
ILE B 404
 None
 1.31A 4okwA-4g7eB:
undetectable		 4okwA-4g7eB:
14.88
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 MET B 487
VAL B 765
THR B 426
ILE B 404
VAL B 694
 None
 1.32A 4okwA-4g7eB:
undetectable		 4okwA-4g7eB:
14.88
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.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU E 568
GLY E 569
VAL E 606
THR E 640
VAL E 665
 None
 1.19A 4okwA-4iw4E:
undetectable		 4okwA-4iw4E:
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.
4juu EPIMERASE

(Xanthomonas
campestris) 		PF05544
(Pro_racemase) 		5 LEU A  65
GLY A  75
VAL A 116
THR A  92
VAL A 121
 PO4  A 402 ( 4.7A)
None
None
None
None
 1.11A 4okwA-4juuA:
undetectable		 4okwA-4juuA:
20.65
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.
4k6n AMINODEOXYCHORISMATE
LYASE

(Saccharomyces
cerevisiae) 		PF01063
(Aminotran_4) 		5 LEU A 326
GLY A 328
ARG A 255
THR A 318
ILE A 340
 PLP  A 500 (-4.1A)
PLP  A 500 (-3.4A)
PLP  A 500 (-3.0A)
None
None
 1.25A 4okwA-4k6nA:
undetectable		 4okwA-4k6nA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzy 40S RIBOSOMAL
PROTEIN S2

(Oryctolagus
cuniculus) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 LEU C  83
GLY C  84
VAL C 148
ILE C 140
VAL C 113
 None
 1.32A 4okwA-4kzyC:
undetectable		 4okwA-4kzyC:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 219
GLY A 216
MET A 277
VAL A 281
HIS A 145
 None
 1.04A 4okwA-4l52A:
undetectable		 4okwA-4l52A:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 LEU A 398
GLY A 397
MET A 465
VAL A 463
HIS A 356
 None
 1.26A 4okwA-4n78A:
undetectable		 4okwA-4n78A:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ob1 COBALT-CONTAINING
NITRILE HYDRATASE
SUBUNIT ALPHA

(Pseudonocardia
thermophila) 		PF02979
(NHase_alpha) 		5 LEU A  54
GLY A  55
MET A 195
ILE A 196
VAL A 106
 None
 1.21A 4okwA-4ob1A:
undetectable		 4okwA-4ob1A:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 566
GLY A 567
GLN A 570
MET A 601
MET A 604
ARG A 611
ILE A 757
 MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.2A)
None
 0.86A 4okwA-4p6wA:
32.4		 4okwA-4p6wA:
50.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra4 PROTEIN KINASE C

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 LEU A 527
GLY A 525
VAL A 441
HIS A 594
MET A 573
 None
 1.30A 4okwA-4ra4A:
undetectable		 4okwA-4ra4A:
20.68
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.
4u36 SEED LECTIN

(Vatairea
macrocarpa) 		PF00139
(Lectin_legB) 		5 LEU A  51
GLY A 206
VAL A 120
THR A  71
VAL A 163
 None
 1.33A 4okwA-4u36A:
undetectable		 4okwA-4u36A:
19.25
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
GLN A 776
MET A 807
ARG A 817
ILE A 964
 CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
None
 0.69A 4okwA-4udbA:
33.2		 4okwA-4udbA:
52.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 LEU A 163
GLY A 164
THR A 171
ILE A 178
VAL A 149
 None
 1.36A 4okwA-4xz3A:
undetectable		 4okwA-4xz3A:
18.45
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.
5aby EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-3

(Caenorhabditis
elegans) 		PF01652
(IF4E) 		5 LEU A 215
GLY A 178
GLN A 179
THR A 165
ILE A 147
 None
 1.28A 4okwA-5abyA:
undetectable		 4okwA-5abyA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		5 LEU A 253
GLY A 226
VAL A 245
ILE A 204
VAL A 180
 None
None
None
None
BR  A 401 (-4.6A)
 1.35A 4okwA-5gxfA:
undetectable		 4okwA-5gxfA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 MET A 748
VAL A 747
MET A 688
ILE A 822
VAL A 824
 None
 1.33A 4okwA-5hjrA:
undetectable		 4okwA-5hjrA:
15.36
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 916
MET A 834
VAL A 895
MET A 934
ILE A 937
 None
 1.13A 4okwA-5i8iA:
undetectable		 4okwA-5i8iA:
8.68
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 GLY A 635
GLN A 637
THR A 536
ILE A 465
VAL A 463
 None
 1.24A 4okwA-5j72A:
undetectable		 4okwA-5j72A:
17.00
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 LEU A 232
GLY A  78
VAL A  62
ILE A 713
VAL A 258
 None
 1.02A 4okwA-5jxkA:
undetectable		 4okwA-5jxkA:
18.51
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
GLN A 776
MET A 807
ARG A 817
ILE A 964
 ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
None
 0.64A 4okwA-5mwpA:
36.8		 4okwA-5mwpA:
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.
5nvd CBS-CP12

(Microcystis
aeruginosa) 		no annotation 5 GLY A  51
VAL A  16
MET A  78
ILE A  77
VAL A  24
 None
 1.33A 4okwA-5nvdA:
undetectable		 4okwA-5nvdA:
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.
5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE

(Cupriavidus
metallidurans) 		no annotation 5 LEU A  47
GLY A  46
ARG A  58
ILE A 118
VAL A  12
 None
 1.16A 4okwA-5ovuA:
undetectable		 4okwA-5ovuA:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 GLY A 563
GLN A 566
MET A 597
MET A 600
ARG A 607
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
None
486  A 801 (-3.5A)
 0.72A 4okwA-5uc1A:
22.7		 4okwA-5uc1A:
30.37
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 LEU A  35
GLY A  36
GLN A  39
MET A  70
ARG A  80
ILE A 226
 1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
None
 0.66A 4okwA-5ufsA:
34.4		 4okwA-5ufsA:
54.58
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 LEU A  35
GLY A  36
GLN A  39
MET A  73
ARG A  80
ILE A 226
 1TA  A 301 ( 3.6A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.2A)
1TA  A 301 (-3.5A)
None
 0.84A 4okwA-5ufsA:
34.4		 4okwA-5ufsA:
54.58
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A  48
GLY A  49
ARG A 156
THR A  96
VAL A 111
 None
 1.30A 4okwA-5um6A:
undetectable		 4okwA-5um6A:
13.10
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 LEU A  15
GLY A  10
VAL A  29
ARG A 109
VAL A 156
 None
FAD  A 501 ( 4.9A)
None
None
None
 1.32A 4okwA-5xgvA:
undetectable		 4okwA-5xgvA:
15.04
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.
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 GLY A 848
HIS A 869
THR A 867
ILE A 720
VAL A 724
 None
None
IOD  A 930 ( 3.7A)
None
None
 1.30A 4okwA-6ax6A:
undetectable		 4okwA-6ax6A:
16.88
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 5 LEU A 339
GLY A 338
VAL A 318
ILE A 420
VAL A 416
 None
 1.35A 4okwA-6bk1A:
undetectable		 4okwA-6bk1A:
14.47
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.
6bzg PROTEIN ZIP2
SPORULATION-SPECIFIC
PROTEIN 16

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 654
GLY B 655
MET A 151
VAL A 149
THR B 689
 None
 1.32A 4okwA-6bzgB:
undetectable		 4okwA-6bzgB:
14.62
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.
6f9c GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		no annotation 5 LEU A 302
GLY A 458
GLN A 300
ILE A 445
VAL A 447
 None
 1.26A 4okwA-6f9cA:
undetectable		 4okwA-6f9cA:
16.32
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 GLY A  50
VAL A 135
THR A 440
ILE A  42
VAL A  83
 None
 1.31A 4okwA-6frvA:
undetectable		 4okwA-6frvA:
19.70