SIMILAR PATTERNS OF AMINO ACIDS FOR 4OK1_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.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		6 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
ILE A 238
 None
None
BR  A2008 (-4.0A)
None
None
None
 1.42A 4ok1A-1jhdA:
undetectable		 4ok1A-1jhdA:
21.45
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.
1kng THIOL:DISULFIDE
INTERCHANGE PROTEIN
CYCY

(Bradyrhizobium
japonicum) 		PF08534
(Redoxin) 		5 LEU A 102
LEU A 105
GLY A 106
VAL A  85
VAL A  70
 None
 1.00A 4ok1A-1kngA:
undetectable		 4ok1A-1kngA:
22.80
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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 5 LEU A 299
LEU A 302
VAL A 223
ILE A 231
VAL A 181
 None
 1.17A 4ok1A-1qniA:
0.0		 4ok1A-1qniA:
17.80
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.
1rpn GDP-MANNOSE
4,6-DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 132
GLY A 131
LEU A 286
ILE A 176
VAL A 243
 None
 1.13A 4ok1A-1rpnA:
0.0		 4ok1A-1rpnA:
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 LEU A 238
GLY A 240
VAL A 260
ILE A 247
VAL A  88
 None
 1.01A 4ok1A-1to6A:
0.0		 4ok1A-1to6A:
20.90
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 131
GLY A 130
LEU A 215
VAL A 188
ILE A  53
 None
GTP  A 500 (-3.5A)
None
None
None
 1.15A 4ok1A-1w5eA:
0.0		 4ok1A-1w5eA:
21.77
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.
1weh CONSERVED
HYPOTHETICAL PROTEIN
TT1887

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		5 LEU A   4
LEU A  36
GLY A  35
VAL A  28
MET A   1
 None
 1.01A 4ok1A-1wehA:
undetectable		 4ok1A-1wehA:
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.
1wjr KIAA1617 PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 LEU A 110
LEU A  44
VAL A  14
ILE A  31
VAL A  47
 None
 1.16A 4ok1A-1wjrA:
undetectable		 4ok1A-1wjrA:
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 LEU A 120
GLY A 119
LEU A  96
MET A  34
VAL A  89
 None
 1.16A 4ok1A-1wz8A:
0.0		 4ok1A-1wz8A:
22.60
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
LEU A 327
MET A 362
VAL A 366
ARG A 372
 None
 0.52A 4ok1A-1xb7A:
26.2		 4ok1A-1xb7A:
23.53
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.
1xnf LIPOPROTEIN NLPI

(Escherichia
coli) 		PF07719
(TPR_2)
PF13181
(TPR_8) 		5 LEU A 256
LEU A 259
LEU A 219
MET A 216
ILE A 202
 None
 1.12A 4ok1A-1xnfA:
0.0		 4ok1A-1xnfA:
21.40
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.
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
 1.09A 4ok1A-1zo1I:
undetectable		 4ok1A-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) 		11 LEU A 704
LEU A 707
GLY A 708
GLN A 711
MET A 742
VAL A 746
ARG A 752
THR A 877
MET A 895
ILE A 899
VAL A 903
 BHM  A   1 (-4.0A)
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 (-3.8A)
BHM  A   1 (-3.0A)
None
None
None
 0.36A 4ok1A-2ax9A:
41.1		 4ok1A-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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 491
LEU A 494
GLY A 495
VAL A 557
VAL A 130
 None
 0.98A 4ok1A-2b3xA:
undetectable		 4ok1A-2b3xA:
16.11
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.
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
 1.04A 4ok1A-2de2A:
undetectable		 4ok1A-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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A  79
GLY A  91
LEU A  61
ILE A 106
VAL A  23
 None
 1.04A 4ok1A-2f7lA:
undetectable		 4ok1A-2f7lA:
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.
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
 1.11A 4ok1A-2gmhA:
undetectable		 4ok1A-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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 LEU A 107
LEU A 108
GLY A 104
VAL A 219
ILE A 499
 None
 1.05A 4ok1A-2nz9A:
undetectable		 4ok1A-2nz9A:
10.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		6 LEU A  32
LEU A  35
GLN A  39
MET A  70
ARG A  80
ILE A 227
 1CA  A 247 (-4.0A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
None
 0.61A 4ok1A-2q3yA:
37.1		 4ok1A-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.
2qkx BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 100
LEU A  97
GLY A  96
LEU A  12
VAL A 109
 None
 1.00A 4ok1A-2qkxA:
undetectable		 4ok1A-2qkxA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 LEU A  62
LEU A  65
GLY A  64
VAL A 402
ILE A  37
 None
 0.98A 4ok1A-2qs8A:
undetectable		 4ok1A-2qs8A:
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.
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 A 797
LEU A 793
LEU A 563
ILE A 782
VAL A 759
 None
 1.05A 4ok1A-2vz9A:
undetectable		 4ok1A-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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		5 LEU A 403
LEU A 268
MET A 269
VAL A 273
ILE A 413
 None
 1.06A 4ok1A-2wsxA:
undetectable		 4ok1A-2wsxA:
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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 LEU A 464
GLY A 460
GLN A 264
MET A 182
ILE A 183
 None
 1.13A 4ok1A-2ww9A:
undetectable		 4ok1A-2ww9A:
19.21
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.
2z2b DIHYDROOROTASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 LEU A 127
LEU A 184
VAL A 235
MET A 151
ILE A 147
 KCX  A 102 ( 4.5A)
None
None
None
None
 1.10A 4ok1A-2z2bA:
undetectable		 4ok1A-2z2bA:
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.
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 185
LEU A  71
VAL A 209
ILE A 234
VAL A 105
 None
 1.10A 4ok1A-3bgaA:
undetectable		 4ok1A-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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 LEU A 160
LEU A 157
GLY A 156
VAL A 167
ILE A  89
 None
 1.04A 4ok1A-3cbgA:
undetectable		 4ok1A-3cbgA:
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.
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
 1.16A 4ok1A-3cebA:
undetectable		 4ok1A-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.
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
 0.85A 4ok1A-3ddnA:
undetectable		 4ok1A-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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 100
LEU A  97
GLY A  96
LEU A  12
VAL A 109
 None
None
None
UD1  A4000 (-4.1A)
None
 1.05A 4ok1A-3dj4A:
undetectable		 4ok1A-3dj4A:
17.50
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.
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
 1.15A 4ok1A-3douA:
undetectable		 4ok1A-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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		5 LEU A  83
LEU A  80
GLY A  81
LEU A 117
VAL A 114
 None
 1.12A 4ok1A-3e53A:
undetectable		 4ok1A-3e53A:
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A 197
LEU A 194
GLY A 193
THR A 301
MET A 257
 None
 1.11A 4ok1A-3hn2A:
undetectable		 4ok1A-3hn2A:
19.77
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 5 LEU A 261
LEU A 240
MET A 239
ILE A 176
VAL A 250
 None
 1.14A 4ok1A-3ihmA:
undetectable		 4ok1A-3ihmA:
18.42
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 LEU A 478
LEU A 494
VAL A 503
THR A 555
ILE A 463
 None
 1.12A 4ok1A-3juxA:
undetectable		 4ok1A-3juxA:
14.12
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.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN) 		5 LEU A 174
GLY A 281
THR A 296
ILE A  92
VAL A 116
 None
 1.15A 4ok1A-3k8vA:
undetectable		 4ok1A-3k8vA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 718
LEU A 721
GLY A 722
MET A 756
VAL A 760
ARG A 766
ILE A 913
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
 0.52A 4ok1A-3kbaA:
34.8		 4ok1A-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) 		7 LEU A 718
LEU A 721
GLY A 722
MET A 756
VAL A 760
ARG A 766
MET A 909
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
None
 1.10A 4ok1A-3kbaA:
34.8		 4ok1A-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) 		7 LEU A 721
GLY A 722
GLN A 725
MET A 756
VAL A 760
ARG A 766
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 (-4.1A)
WOW  A   1 (-3.8A)
None
 0.68A 4ok1A-3kbaA:
34.8		 4ok1A-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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 LEU A  83
LEU A  86
GLY A  85
ILE A  58
VAL A  53
 None
 1.16A 4ok1A-3mtwA:
undetectable		 4ok1A-3mtwA:
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.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		6 LEU A 421
LEU A 417
GLY A 416
GLN A  51
ILE A 390
VAL A 400
 None
 1.37A 4ok1A-3ombA:
undetectable		 4ok1A-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.
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
VAL A 359
 None
 1.09A 4ok1A-3opsA:
undetectable		 4ok1A-3opsA:
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.
3q1n GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
paracasei) 		PF01263
(Aldose_epim) 		5 LEU A  48
GLY A  53
GLN A  71
THR A 239
ILE A 208
 NO3  A 295 ( 3.8A)
NO3  A 296 ( 3.1A)
NO3  A 296 (-3.7A)
EDO  A 302 ( 4.9A)
None
 1.14A 4ok1A-3q1nA:
undetectable		 4ok1A-3q1nA:
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 126
LEU A 129
GLY A 128
ARG A  91
VAL A 137
 None
 1.14A 4ok1A-3qldA:
undetectable		 4ok1A-3qldA:
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.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 LEU A 101
LEU A  98
GLY A  99
ILE A 148
VAL A 208
 None
 1.09A 4ok1A-3r4vA:
undetectable		 4ok1A-3r4vA:
22.81
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		6 LEU A 179
LEU A  43
VAL A   6
MET A 184
ILE A 185
VAL A  28
 None
 1.36A 4ok1A-3r9wA:
undetectable		 4ok1A-3r9wA:
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.
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
 1.04A 4ok1A-3rhyA:
undetectable		 4ok1A-3rhyA:
22.57
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 LEU M 186
LEU M 183
GLY M 182
LEU M 147
VAL M 130
 None
 1.15A 4ok1A-3rkoM:
undetectable		 4ok1A-3rkoM:
18.42
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 LEU A 104
GLY A 105
LEU A 159
MET A 137
ILE A 220
 None
 1.09A 4ok1A-3rmtA:
undetectable		 4ok1A-3rmtA:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		7 LEU A  32
LEU A  35
GLY A  36
GLN A  39
MET A  70
ARG A  80
ILE A 227
 1CA  A 249 (-3.9A)
1CA  A 249 ( 4.4A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
None
 0.61A 4ok1A-3ry9A:
36.1		 4ok1A-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.
3stg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 LEU A  18
LEU A 221
GLY A 220
ILE A   5
VAL A 130
 None
 1.15A 4ok1A-3stgA:
undetectable		 4ok1A-3stgA:
20.14
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.
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
 1.14A 4ok1A-3tqdA:
undetectable		 4ok1A-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.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137

(Staphylococcus
aureus) 		PF13379
(NMT1_2) 		6 LEU A  82
LEU A  78
GLY A  40
LEU A  50
VAL A 222
ILE A  37
 None
 1.25A 4ok1A-3un6A:
undetectable		 4ok1A-3un6A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 4ok1A-3va7A:
undetectable		 4ok1A-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.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		5 LEU A 512
GLY A 431
LEU A 487
MET A 459
ILE A 457
 None
 1.13A 4ok1A-4ae0A:
undetectable		 4ok1A-4ae0A:
16.76
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 LEU A  83
LEU A  86
GLY A  87
LEU A 116
ILE A 134
 None
 0.99A 4ok1A-4cgrA:
undetectable		 4ok1A-4cgrA:
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 GLY A  74
LEU A 207
VAL A 249
ILE A 155
VAL A 198
 None
 1.06A 4ok1A-4ev4A:
undetectable		 4ok1A-4ev4A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		5 LEU W 542
LEU W 558
VAL W 477
THR W 564
ILE W 438
 None
 1.11A 4ok1A-4f5xW:
undetectable		 4ok1A-4f5xW:
12.76
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.
4hnh NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Veillonella
parvula) 		PF13460
(NAD_binding_10) 		5 GLY A   9
LEU A  37
THR A  19
ILE A  30
VAL A  51
 NAP  A 301 ( 3.9A)
None
None
None
None
 0.94A 4ok1A-4hnhA:
undetectable		 4ok1A-4hnhA:
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 LEU A 279
LEU A 280
GLY A 281
ILE A 100
VAL A  65
 None
 1.15A 4ok1A-4htlA:
undetectable		 4ok1A-4htlA:
21.09
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 LEU A 137
GLY A 139
VAL A 146
ILE A  83
VAL A  12
 None
 1.09A 4ok1A-4inaA:
undetectable		 4ok1A-4inaA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 4ok1A-4iw4E:
undetectable		 4ok1A-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
 1.08A 4ok1A-4juuA:
undetectable		 4ok1A-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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 LEU A 403
LEU A 268
MET A 269
VAL A 273
ILE A 413
 None
 0.98A 4ok1A-4m8jA:
undetectable		 4ok1A-4m8jA:
19.18
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
LEU A 566
GLY A 567
GLN A 570
ARG A 611
 MOF  A 801 (-3.9A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-4.2A)
 0.68A 4ok1A-4p6wA:
32.9		 4ok1A-4p6wA:
50.40
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 LEU A 566
GLY A 567
GLN A 570
MET A 601
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)
MOF  A 801 (-4.2A)
None
 0.66A 4ok1A-4p6wA:
32.9		 4ok1A-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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		5 LEU A 606
GLY A 608
LEU A 585
VAL A 590
THR A 628
 None
 1.00A 4ok1A-4qmkA:
undetectable		 4ok1A-4qmkA:
17.29
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.
4r7s TETRATRICOPEPTIDE
REPEAT PROTEIN

(Parabacteroides
merdae) 		PF13432
(TPR_16) 		5 LEU A  62
LEU A  65
GLY A  66
GLN A  69
LEU A 102
 None
 0.88A 4ok1A-4r7sA:
undetectable		 4ok1A-4r7sA:
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 LEU A 167
LEU A 215
VAL A 202
ILE A 159
VAL A 184
 None
 1.05A 4ok1A-4u3wA:
undetectable		 4ok1A-4u3wA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 769
LEU A 772
GLN A 776
MET A 807
ARG A 817
ILE A 964
 CV7  A1987 (-4.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
None
 0.82A 4ok1A-4udbA:
33.2		 4ok1A-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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 LEU A 316
GLY A 318
LEU A  29
VAL A  27
VAL A 292
 None
None
None
NA  A 702 (-4.7A)
None
 1.16A 4ok1A-4us4A:
undetectable		 4ok1A-4us4A:
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 112
GLY A 106
LEU A 103
VAL A  82
ILE A  75
 None
 1.14A 4ok1A-4ynnA:
undetectable		 4ok1A-4ynnA:
20.92
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.
4zpd RNA-DIRECTED RNA
POLYMERASE

(Enterovirus B) 		PF00680
(RdRP_1) 		5 LEU A 269
LEU A 253
MET A 300
ILE A 304
VAL A  78
 None
 1.17A 4ok1A-4zpdA:
undetectable		 4ok1A-4zpdA:
19.91
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.
5b3h PROTEIN SCARECROW

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 LEU A 412
GLY A 411
LEU A 450
ILE A 403
VAL A 431
 None
 1.01A 4ok1A-5b3hA:
undetectable		 4ok1A-5b3hA:
18.88
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 LEU A 153
LEU A 162
GLY A 164
LEU A 194
ILE A 179
 None
 1.15A 4ok1A-5c54A:
undetectable		 4ok1A-5c54A:
21.98
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 255
LEU A 292
LEU A 211
ILE A 240
VAL A 245
 None
 1.14A 4ok1A-5d4wA:
undetectable		 4ok1A-5d4wA:
14.91
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 LEU A  98
GLY A  96
LEU A 132
VAL A 105
THR A  74
 None
 1.16A 4ok1A-5d6nA:
undetectable		 4ok1A-5d6nA:
18.57
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		6 LEU A 393
LEU A 405
GLY A 406
LEU A 311
ILE A 386
VAL A 308
 None
 1.43A 4ok1A-5ei0A:
undetectable		 4ok1A-5ei0A:
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 LEU A  98
GLY A  96
LEU A 132
VAL A 105
THR A  74
 None
 1.09A 4ok1A-5ey8A:
undetectable		 4ok1A-5ey8A:
14.83
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.
5h5w FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Escherichia
coli) 		PF07195
(FliD_C)
PF07196
(Flagellin_IN) 		5 LEU A 201
GLY A 206
LEU A 108
ILE A 130
VAL A 164
 None
 1.14A 4ok1A-5h5wA:
undetectable		 4ok1A-5h5wA:
20.22
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 LEU B 502
LEU B 504
VAL B 645
ILE B 526
VAL B 486
 None
 1.11A 4ok1A-5hccB:
undetectable		 4ok1A-5hccB:
17.05
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.
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
 1.09A 4ok1A-5i8iA:
undetectable		 4ok1A-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.
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
 1.01A 4ok1A-5jxkA:
undetectable		 4ok1A-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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		5 LEU A 460
LEU A 443
LEU A  50
ILE A  42
VAL A  86
 None
 1.14A 4ok1A-5kjaA:
undetectable		 4ok1A-5kjaA:
18.99
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 LEU A 638
GLY A 637
LEU A 660
VAL A 477
THR A 654
 None
 1.07A 4ok1A-5kqiA:
undetectable		 4ok1A-5kqiA:
14.29
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.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 LEU A 769
LEU A 772
GLN A 776
MET A 807
ARG A 817
ILE A 964
 ECV  A1101 (-4.7A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
None
 0.75A 4ok1A-5mwpA:
36.3		 4ok1A-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.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 5 LEU A  30
LEU A  31
GLY A  99
VAL A  96
ILE A 236
 None
 1.16A 4ok1A-5ng7A:
undetectable		 4ok1A-5ng7A:
12.80
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 LEU A 893
LEU A 973
THR A 858
ILE A 939
VAL A 941
 None
 1.12A 4ok1A-5ngyA:
undetectable		 4ok1A-5ngyA:
10.79
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.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 LEU A  66
GLY A  68
VAL A 445
ILE A  42
VAL A  37
 LEU  A  66 ( 0.6A)
GLY  A  68 ( 0.0A)
VAL  A 445 ( 0.6A)
ILE  A  42 ( 0.6A)
VAL  A  37 ( 0.6A)
 0.97A 4ok1A-5nksA:
undetectable		 4ok1A-5nksA:
17.76
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.
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
 1.15A 4ok1A-5ovuA:
undetectable		 4ok1A-5ovuA:
15.02
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 499
GLY A 468
LEU A 516
ILE A 512
VAL A 552
 None
 1.13A 4ok1A-5tf0A:
undetectable		 4ok1A-5tf0A:
14.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 LEU A 559
GLY A 563
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.83A 4ok1A-5uc1A:
23.2		 4ok1A-5uc1A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 LEU A 559
LEU A 562
GLY A 563
GLN A 566
ARG A 607
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 (-3.5A)
 0.46A 4ok1A-5uc1A:
23.2		 4ok1A-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) 		5 GLY A  37
GLN A  39
MET A  70
ARG A  80
ILE A 226
 None
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
None
 1.04A 4ok1A-5ufsA:
35.0		 4ok1A-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) 		7 LEU A  32
LEU A  35
GLY A  36
GLN A  39
MET A  70
ARG A  80
ILE A 226
 1TA  A 301 (-3.5A)
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
 0.76A 4ok1A-5ufsA:
35.0		 4ok1A-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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 LEU A 102
GLY A 103
LEU A 155
MET A 137
ILE A 219
 None
 1.07A 4ok1A-5wi5A:
undetectable		 4ok1A-5wi5A:
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A 496
GLY A 466
LEU A 514
ILE A 510
VAL A 550
 None
 1.13A 4ok1A-5xxoA:
undetectable		 4ok1A-5xxoA:
13.60
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.
6c3b UNCHARACTERIZED
PROTEIN

(Streptomyces
cattleya) 		no annotation 5 LEU A 195
LEU A 160
LEU A 105
ILE A 253
VAL A 257
 None
None
None
None
EDO  A 402 (-3.7A)
 1.11A 4ok1A-6c3bA:
undetectable		 4ok1A-6c3bA:
16.25
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.
6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG

(Homo sapiens) 		no annotation 5 LEU A 733
LEU A 730
GLY A 729
GLN A 726
VAL A 701
 None
None
None
None
919  A1101 (-4.7A)
 0.81A 4ok1A-6cnhA:
undetectable		 4ok1A-6cnhA:
12.97
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.
6eu9 RETINOIC ACID
RECEPTOR

(Platynereis
dumerilii) 		no annotation 5 LEU A 484
VAL A 476
MET A 317
ILE A 321
VAL A 374
 None
 1.02A 4ok1A-6eu9A:
21.2		 4ok1A-6eu9A:
15.88