SIMILAR PATTERNS OF AMINO ACIDS FOR 2OKC_B_SAMB500_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.
1ae1 TROPINONE
REDUCTASE-I

(Datura
stramonium) 		PF13561
(adh_short_C2) 		4 ARG A  53
ASP A 122
THR A 119
ASP A 117
 NAP  A 274 (-3.6A)
None
None
None
 1.28A 2okcB-1ae1A:
5.7		 2okcB-1ae1A:
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 THR A 230
ASP A 314
THR A 198
ASP A 316
 None
 1.30A 2okcB-1brlA:
undetectable		 2okcB-1brlA:
22.39
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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 THR A 202
THR A  84
ASP A  89
THR A  91
 None
 1.19A 2okcB-1brwA:
undetectable		 2okcB-1brwA:
22.86
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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 THR A  16
THR A  12
THR A 180
ASP A  71
 None
 1.05A 2okcB-1eyyA:
3.8		 2okcB-1eyyA:
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 114
ASP A 150
THR A 149
ASP A  18
 None
 1.20A 2okcB-1gycA:
undetectable		 2okcB-1gycA:
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.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		4 THR A  96
THR A  90
THR A  18
ASP A  30
 None
 1.28A 2okcB-1ibqA:
undetectable		 2okcB-1ibqA:
20.21
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.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR X 118
THR X 121
THR X 172
ASP X 170
 None
 1.00A 2okcB-1jpdX:
undetectable		 2okcB-1jpdX:
22.32
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 THR A 416
THR A1002
ASP A 536
THR A 534
 None
 1.19A 2okcB-1kqfA:
undetectable		 2okcB-1kqfA:
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 THR A 266
ASP A 304
THR A 303
ASP A  90
 None
 1.05A 2okcB-1krmA:
undetectable		 2okcB-1krmA:
22.98
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		4 THR A  17
THR A  44
ASP A  62
ASP A  90
 SAH  A 801 (-3.7A)
SAH  A 801 (-4.1A)
SAH  A 801 (-2.6A)
SAH  A 801 (-3.8A)
 0.63A 2okcB-1l3iA:
12.8		 2okcB-1l3iA:
19.36
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.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		4 THR A 262
ASP A 246
THR A 235
ASP A 218
 None
None
SO4  A1002 (-3.6A)
None
 1.23A 2okcB-1n4oA:
undetectable		 2okcB-1n4oA:
22.37
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.
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 THR A 759
ARG A 763
THR A 615
ASP A 708
 None
None
A3P  A 301 (-4.9A)
None
 1.13A 2okcB-1nstA:
undetectable		 2okcB-1nstA:
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 ARG A 333
ASP A 152
THR A 151
ASP A  73
 None
 1.14A 2okcB-1o2dA:
undetectable		 2okcB-1o2dA:
22.39
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.
1r4a ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1
GOLGI AUTOANTIGEN,
GOLGIN SUBFAMILY A
MEMBER 4

(Rattus
norvegicus;
Homo sapiens) 		PF00025
(Arf)
PF01465
(GRIP) 		4 ARG A  19
THR E2193
THR E2200
ASP E2206
 None
 1.24A 2okcB-1r4aA:
undetectable		 2okcB-1r4aA:
17.75
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 THR A 632
ASP A 609
THR A 592
ASP A 565
 None
 1.28A 2okcB-1sqjA:
undetectable		 2okcB-1sqjA:
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.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		4 THR A  47
THR A  71
ASP A  62
ASP A  88
 None
None
CL  A 402 (-3.6A)
CL  A 405 ( 4.9A)
 1.29A 2okcB-1yb1A:
5.9		 2okcB-1yb1A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 THR A 282
THR A 336
ASP A 156
THR A 154
 None
 1.15A 2okcB-1ygaA:
undetectable		 2okcB-1ygaA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 THR A  67
ASP A  85
THR A  87
ASP A 142
 SAH  A4001 (-3.5A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
 0.86A 2okcB-2a14A:
9.8		 2okcB-2a14A:
23.06
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		4 ARG A  41
ASP A 109
THR A 106
ASP A 104
 NAP  A 800 (-3.4A)
None
None
None
 1.24A 2okcB-2bd0A:
6.0		 2okcB-2bd0A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 THR A  16
THR A   8
THR A 234
ASP A 236
 None
 1.26A 2okcB-2cbnA:
undetectable		 2okcB-2cbnA:
22.65
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 THR A 186
ARG A 279
THR A  40
ASP A  47
 None
 1.11A 2okcB-2dqbA:
undetectable		 2okcB-2dqbA:
22.32
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		4 THR A  98
THR A 129
ASP A 154
ASP A 180
 SAM  A 400 (-3.8A)
SAM  A 400 (-2.9A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.50A 2okcB-2f8lA:
25.2		 2okcB-2f8lA:
24.57
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 114
ASP A 150
THR A 149
ASP A  18
 None
 1.25A 2okcB-2hzhA:
undetectable		 2okcB-2hzhA:
22.45
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 THR A  68
ASP A  86
THR A  88
ASP A 143
 SAH  A4001 (-3.6A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.8A)
SAH  A4001 (-4.0A)
 0.82A 2okcB-2i62A:
9.4		 2okcB-2i62A:
22.72
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 THR A 164
THR A  68
ASP A  86
THR A  88
 SAH  A4001 (-3.7A)
SAH  A4001 (-3.6A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.8A)
 1.28A 2okcB-2i62A:
9.4		 2okcB-2i62A:
22.72
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.
2nn6 EXOSOME COMPLEX
EXONUCLEASE RRP43
EXOSOME COMPONENT 6

(Homo sapiens;
Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF01138
(RNase_PH) 		4 THR F 200
ARG F  37
THR F  60
ASP C  46
 None
 1.21A 2okcB-2nn6F:
undetectable		 2okcB-2nn6F:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o26 KIT LIGAND
MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus;
Mus musculus) 		PF02404
(SCF)
no annotation 		4 THR X 277
ASP A  10
THR A   9
ASP A  14
 None
 1.30A 2okcB-2o26X:
undetectable		 2okcB-2o26X:
21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 THR A 154
ARG A 156
THR A 181
ASP A 214
THR A 216
ASP A 243
 SAM  A 500 (-3.6A)
SAM  A 500 (-3.1A)
SAM  A 500 (-3.1A)
SAM  A 500 (-2.9A)
SAM  A 500 (-4.0A)
SAM  A 500 (-3.3A)
 0.16A 2okcB-2okcA:
62.3		 2okcB-2okcA:
100.00
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.
2v91 STRICTOSIDINE
SYNTHASE

(Rauvolfia
serpentina) 		PF03088
(Str_synth) 		4 THR A 199
ASP A 166
THR A 169
ASP A 172
 None
 1.30A 2okcB-2v91A:
undetectable		 2okcB-2v91A:
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		4 THR A 131
ASP A 133
THR A 173
ASP A  76
 None
 1.18A 2okcB-2vg9A:
undetectable		 2okcB-2vg9A:
18.92
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.
2xts SULFITE
DEHYDROGENASE
CYTOCHROME

(Paracoccus
pantotrophus;
Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer)
PF13442
(Cytochrome_CBB3) 		4 THR A 287
THR A 299
ASP B 174
THR B 178
 None
CO  A1431 (-3.2A)
None
None
 1.11A 2okcB-2xtsA:
undetectable		 2okcB-2xtsA:
23.35
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 THR A 931
ASP A 929
THR A 897
ASP A 839
 None
 1.11A 2okcB-2xvgA:
undetectable		 2okcB-2xvgA:
20.12
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.
3cyv UROPORPHYRINOGEN
DECARBOXYLASE

(Shigella
flexneri) 		PF01208
(URO-D) 		4 THR A 249
ASP A 270
THR A 272
ASP A 293
 None
 0.99A 2okcB-3cyvA:
undetectable		 2okcB-3cyvA:
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		4 THR A 224
ARG A 275
THR A 196
ASP A 207
 None
 1.28A 2okcB-3e1sA:
2.0		 2okcB-3e1sA:
23.21
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.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 THR A 202
THR A  84
ASP A  89
THR A  91
 None
 1.25A 2okcB-3h5qA:
undetectable		 2okcB-3h5qA:
21.68
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.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		4 THR A  68
ASP A  70
THR A  73
ASP A 119
 None
NAP  A 254 (-3.7A)
None
None
 1.28A 2okcB-3iahA:
5.2		 2okcB-3iahA:
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 THR W 435
ARG W 480
THR W1015
ASP W 945
 None
 1.27A 2okcB-3iylW:
8.9		 2okcB-3iylW:
15.68
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 ARG A 174
ASP A  96
THR A 213
ASP A 210
 None
CL  A  12 ( 4.7A)
CL  A  12 ( 4.6A)
None
 1.29A 2okcB-3ks7A:
undetectable		 2okcB-3ks7A:
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 4 THR Q 297
ASP Q 293
THR Q 274
ASP Q 282
 None
 1.24A 2okcB-3ksdQ:
2.8		 2okcB-3ksdQ:
22.78
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.
3l4e UNCHARACTERIZED
PEPTIDASE LMO0363

(Listeria
monocytogenes) 		PF03575
(Peptidase_S51) 		4 THR A 170
THR A 134
ASP A 136
THR A  89
 None
None
SO4  A 207 ( 4.8A)
None
 1.11A 2okcB-3l4eA:
undetectable		 2okcB-3l4eA:
20.09
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 THR A 812
ARG A 160
ASP A 236
ASP A 284
 None
 1.29A 2okcB-3ogrA:
undetectable		 2okcB-3ogrA:
19.40
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii;
Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF00148
(Oxidored_nitro) 		4 THR A 406
ARG B 217
THR A 353
ASP A 362
 None
 1.28A 2okcB-3pdiA:
undetectable		 2okcB-3pdiA:
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 THR A   8
ASP A 120
THR A  17
ASP A  47
 None
None
ADP  A 261 (-3.5A)
None
 1.07A 2okcB-3r9jA:
undetectable		 2okcB-3r9jA:
20.81
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.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		4 THR A 157
ARG A  58
ASP A 114
THR A 126
 None
 1.19A 2okcB-3rhdA:
2.0		 2okcB-3rhdA:
21.30
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.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 THR A  56
ASP A  54
THR A  51
ASP A 117
 None
 1.29A 2okcB-3te7A:
undetectable		 2okcB-3te7A:
19.24
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		4 THR A  23
ASP A 131
THR A 134
ASP A 137
 None
 1.23A 2okcB-3tp9A:
undetectable		 2okcB-3tp9A:
21.74
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.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		4 THR A  54
THR A  42
THR A  45
ASP A  91
 None
 1.10A 2okcB-3u4yA:
undetectable		 2okcB-3u4yA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 THR A 376
ASP A 374
THR A 199
ASP A 344
 None
 1.22A 2okcB-3x0vA:
undetectable		 2okcB-3x0vA:
22.78
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 THR A 373
ARG A 382
THR A 220
ASP A 173
 None
 1.29A 2okcB-3zk4A:
undetectable		 2okcB-3zk4A:
21.51
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 THR A 676
THR A 724
ASP A 679
THR A 720
 None
 1.29A 2okcB-4ci8A:
undetectable		 2okcB-4ci8A:
21.57
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 THR A 280
THR A 355
THR A  85
ASP A  88
 None
 1.22A 2okcB-4cnsA:
undetectable		 2okcB-4cnsA:
21.24
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.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		4 THR A 255
ASP A 276
THR A 278
ASP A 299
 None
 1.17A 2okcB-4exqA:
undetectable		 2okcB-4exqA:
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ARG A 245
THR A 328
ASP A 368
ASP A 105
 None
 1.22A 2okcB-4g9iA:
undetectable		 2okcB-4g9iA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h14 SPIKE GLYCOPROTEIN

(Betacoronavirus
1) 		PF16451
(Spike_NTD) 		4 THR A 200
ASP A 225
THR A 226
ASP A 206
 None
 1.22A 2okcB-4h14A:
undetectable		 2okcB-4h14A:
20.31
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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 4 ARG A 199
THR A 240
THR A 149
ASP A 138
 None
None
None
GOL  A 417 ( 3.5A)
 1.17A 2okcB-4iikA:
undetectable		 2okcB-4iikA:
19.47
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		4 THR A  23
THR A  46
ASP A 326
THR A 328
 None
 1.30A 2okcB-4j6cA:
undetectable		 2okcB-4j6cA:
23.25
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 THR A 419
ASP A 421
THR A 373
ASP A 400
 None
 1.05A 2okcB-4jsoA:
undetectable		 2okcB-4jsoA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 122
ARG A 121
THR A 299
THR A 163
 None
 0.93A 2okcB-4jxkA:
5.7		 2okcB-4jxkA:
23.98
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.
4k81 GROWTH FACTOR
RECEPTOR-BOUND
PROTEIN 14

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		4 THR A 331
ARG A 330
THR A 150
ASP A 146
 None
 1.13A 2okcB-4k81A:
undetectable		 2okcB-4k81A:
20.98
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.
4mp4 GLUTATHIONE
S-TRANSFERASE

(Acinetobacter
baumannii) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		4 ARG A 175
ASP A  12
THR A  11
ASP A  40
 None
 1.23A 2okcB-4mp4A:
undetectable		 2okcB-4mp4A:
18.69
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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 THR A  73
ARG A  76
ASP A 608
ASP A 634
 None
A  C  37 ( 4.5A)
None
None
 1.26A 2okcB-4qeiA:
undetectable		 2okcB-4qeiA:
23.04
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 THR A 709
ARG A 676
ASP A 275
ASP A 215
 None
 1.06A 2okcB-4qmeA:
undetectable		 2okcB-4qmeA:
19.68
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.
4qmf KRR1 SMALL SUBUNIT
PROCESSOME COMPONENT

(Saccharomyces
cerevisiae) 		no annotation 4 THR D  43
THR D  81
THR D  84
ASP D  90
 None
 1.30A 2okcB-4qmfD:
undetectable		 2okcB-4qmfD:
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.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		4 THR A 324
ASP A 249
THR A 248
ASP A 244
 None
 1.24A 2okcB-4qniA:
undetectable		 2okcB-4qniA:
21.76
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		4 ARG A 493
THR A  95
ASP A 119
THR A 122
 None
 1.03A 2okcB-4r3uA:
undetectable		 2okcB-4r3uA:
22.32
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		4 THR A  93
ARG A  94
ASP A 113
ASP A 141
 None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
 0.99A 2okcB-4uy6A:
9.2		 2okcB-4uy6A:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		4 THR A  93
THR A  89
ASP A 113
ASP A 141
 None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
 1.21A 2okcB-4uy6A:
9.2		 2okcB-4uy6A:
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.
4v03 SITE-DETERMINING
PROTEIN

(Aquifex
aeolicus) 		PF01656
(CbiA) 		4 THR A   8
ASP A 121
THR A  17
ASP A  47
 None
MG  A 401 ( 4.0A)
MG  A 401 ( 3.0A)
None
 1.12A 2okcB-4v03A:
undetectable		 2okcB-4v03A:
22.20
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.
4wsh UROPORPHYRINOGEN
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF01208
(URO-D) 		4 THR A 250
ASP A 271
THR A 273
ASP A 294
 None
 1.09A 2okcB-4wshA:
undetectable		 2okcB-4wshA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zef AMINO ACID ABC
TRANSPORTER AMINO
ACID-BINDING/PERMEAS
E

(Enterococcus
faecalis) 		PF00497
(SBP_bac_3) 		4 THR A 328
ARG A 333
ASP A 416
THR A 399
 GLN  A 501 (-4.1A)
GLN  A 501 (-2.9A)
GLN  A 501 ( 4.9A)
None
 1.15A 2okcB-4zefA:
undetectable		 2okcB-4zefA:
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 THR A 218
ASP A 829
THR A  81
ASP A 756
 None
 1.18A 2okcB-4zgvA:
undetectable		 2okcB-4zgvA:
19.52
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		4 THR A 249
ASP A 270
THR A 272
ASP A 293
 None
 1.12A 2okcB-4zr8A:
undetectable		 2okcB-4zr8A:
23.44
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		4 THR A 336
ARG A 335
THR A 225
ASP A 218
 None
 1.29A 2okcB-5e3xA:
undetectable		 2okcB-5e3xA:
23.18
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 THR A  79
THR A  76
ASP A 332
THR A 384
 None
 1.14A 2okcB-5e6sA:
2.0		 2okcB-5e6sA:
21.53
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		4 THR A 166
THR A 262
ASP A  95
ASP A 105
 None
SO4  A1357 (-3.5A)
SO4  A1357 ( 4.8A)
None
 1.12A 2okcB-5fyqA:
2.2		 2okcB-5fyqA:
22.15
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.
5gnb SPIKE GLYCOPROTEIN

(Human
coronavirus
HKU1) 		PF09408
(Spike_rec_bind) 		4 THR A 603
ASP A 625
THR A 630
ASP A 623
 None
 1.28A 2okcB-5gnbA:
undetectable		 2okcB-5gnbA:
20.95
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 THR A 594
ASP A 514
THR A 516
ASP A 551
 None
 0.94A 2okcB-5gy0A:
undetectable		 2okcB-5gy0A:
19.90
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 THR B 795
THR B 746
THR B 755
ASP B 759
 None
 1.24A 2okcB-5gztB:
undetectable		 2okcB-5gztB:
17.32
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 THR A 795
THR A 746
THR A 755
ASP A 759
 None
 1.22A 2okcB-5gzuA:
undetectable		 2okcB-5gzuA:
20.52
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF10418
(DHODB_Fe-S_bind) 		4 THR L 232
THR L 230
THR S 225
ASP S 245
 None
 1.28A 2okcB-5jfcL:
undetectable		 2okcB-5jfcL:
21.70
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		4 THR A  58
ARG A  57
ASP A 108
THR A 110
 None
SO4  A 404 (-3.1A)
None
None
 1.23A 2okcB-5jr3A:
10.6		 2okcB-5jr3A:
24.22
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		4 THR A  95
ASP A  65
THR A 304
ASP A  61
 None
 1.24A 2okcB-5karA:
undetectable		 2okcB-5karA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdu RPB7-BINDING PROTEIN
SEB1

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1) 		4 THR A 500
THR A 505
THR A 515
ASP A 527
 None
 1.16A 2okcB-5mduA:
undetectable		 2okcB-5mduA:
14.90
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 THR A 639
ASP A 665
THR A 666
ASP A 699
 None
 1.01A 2okcB-5n4lA:
undetectable		 2okcB-5n4lA:
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 ARG A 527
THR A 551
THR A 333
ASP A 243
 None
 1.13A 2okcB-5nn8A:
undetectable		 2okcB-5nn8A:
19.52
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.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 4 THR B 255
THR B  78
THR B  88
ASP B  93
 NA  B 317 (-3.6A)
None
None
NA  B 315 ( 4.1A)
 1.27A 2okcB-5o6yB:
undetectable		 2okcB-5o6yB:
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.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 THR A 288
ARG A 286
ASP A 229
THR A 231
 None
 1.16A 2okcB-5tvjA:
undetectable		 2okcB-5tvjA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 THR A 288
ARG A 286
THR A 231
ASP A 211
 None
 1.11A 2okcB-5tvjA:
undetectable		 2okcB-5tvjA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 4 ARG B 333
THR B 319
THR B 295
ASP B 297
 SO4  B 406 (-3.7A)
SO4  B 406 (-3.0A)
None
SO4  B 407 (-2.5A)
 1.28A 2okcB-5u7zB:
undetectable		 2okcB-5u7zB:
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.
5ue7 PHOSPHOMANNOMUTASE

(Candida
albicans) 		PF03332
(PMM) 		4 THR A 189
ASP A 192
THR A 194
ASP A 221
 None
None
None
MG  A 301 ( 4.4A)
 1.12A 2okcB-5ue7A:
undetectable		 2okcB-5ue7A:
20.93
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 4 THR A  19
ARG A  34
THR A 143
ASP A  68
 None
 1.26A 2okcB-5w4zA:
undetectable		 2okcB-5w4zA:
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 4 THR A  27
THR A  57
ASP A  82
ASP A 109
 SAH  A 301 (-2.9A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
 1.08A 2okcB-5w7kA:
12.7		 2okcB-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 4 THR A  27
THR A  57
ASP A  82
ASP A 109
 SAH  A 301 (-2.9A)
None
SAH  A 301 (-2.9A)
SAH  A 301 (-3.8A)
 1.05A 2okcB-5w7mA:
12.6		 2okcB-5w7mA:
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 THR A 386
ARG A 227
THR A 215
ASP A 132
 None
PO4  A1203 ( 4.4A)
None
PO4  A1205 (-4.7A)
 1.29A 2okcB-5wivA:
undetectable		 2okcB-5wivA:
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.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 4 THR A 504
ASP A 386
THR A 323
ASP A 326
 None
 1.23A 2okcB-5xflA:
undetectable		 2okcB-5xflA:
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.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens;
Homo sapiens) 		PF04800
(ETC_C1_NDUFA4)
PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		4 ARG L 106
THR L 103
THR M 606
ASP M 347
 None
 1.28A 2okcB-5xtbL:
undetectable		 2okcB-5xtbL:
13.95
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.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
agalactiae) 		no annotation 4 THR A 301
ASP A 297
THR A 278
ASP A 286
 None
 1.22A 2okcB-5y37A:
2.6		 2okcB-5y37A:
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.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 4 THR C 612
ASP C 616
THR C 628
ASP C 621
 None
 1.14A 2okcB-5zyaC:
undetectable		 2okcB-5zyaC:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 4 THR A 875
ARG A 885
THR A 862
ASP A 811
 None
 1.27A 2okcB-6brrA:
6.5		 2okcB-6brrA:
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 4 THR A 232
ARG A 236
ASP A 201
THR A 204
 None
 0.99A 2okcB-6dd6A:
undetectable		 2okcB-6dd6A:
undetectable