SIMILAR PATTERNS OF AMINO ACIDS FOR 2OKC_A_SAMA500_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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		4 THR A  96
THR A 195
ASP A 220
ASP A 274
 None
None
CA  A 278 (-2.9A)
None
 1.18A 2okcA-1awbA:
undetectable		 2okcA-1awbA:
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.
1d7q TRANSLATION
INITIATION FACTOR 1A

(Homo sapiens) 		PF01176
(eIF-1a) 		4 THR A  86
ASP A  88
ASN A 109
ASP A 111
 None
 1.28A 2okcA-1d7qA:
undetectable		 2okcA-1d7qA:
17.27
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		4 THR A 298
ARG A 307
ASN A 104
ASP A 103
 None
 1.19A 2okcA-1fokA:
undetectable		 2okcA-1fokA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fy1 HEPARIN-BINDING
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 THR A 177
THR A  38
ASP A  89
ASN A  86
 None
 0.98A 2okcA-1fy1A:
undetectable		 2okcA-1fy1A:
20.27
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 THR A 642
ASP A 646
ASN A 650
ASP A 653
 None
 1.17A 2okcA-1itkA:
undetectable		 2okcA-1itkA:
21.84
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.
1jfn APOLIPOPROTEIN A,
KIV-T6

(Homo sapiens) 		PF00051
(Kringle) 		4 THR A  42
THR A  39
ASN A  76
ASP A  78
 None
 1.25A 2okcA-1jfnA:
undetectable		 2okcA-1jfnA:
13.20
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.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A

(Spinacia
oleracea) 		no annotation 4 THR O  96
THR O  33
ASP O  76
ASN O  81
 NDP  O6335 (-4.3A)
NDP  O6335 (-3.3A)
None
None
 1.21A 2okcA-1jn0O:
2.4		 2okcA-1jn0O:
21.96
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.
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)
 0.62A 2okcA-1l3iA:
12.7		 2okcA-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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 586
ARG A 483
THR A 557
ASP A 545
 None
 1.33A 2okcA-1qgdA:
undetectable		 2okcA-1qgdA:
21.35
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.
1qil TOXIC SHOCK SYNDROME
TOXIN-1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C) 		4 THR A 128
THR A  89
ASN A  37
ASP A  39
 None
 1.13A 2okcA-1qilA:
undetectable		 2okcA-1qilA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 ARG A1407
THR A1353
ASN A 811
ASP A 813
 None
NAP  A1453 ( 4.4A)
None
None
 1.27A 2okcA-1tllA:
2.3		 2okcA-1tllA:
21.91
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.
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)
 1.24A 2okcA-1yb1A:
5.9		 2okcA-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.
1ycn PUTATIVE
CA2+-DEPENDENT
MEMBRANE-BINDING
PROTEIN ANNEXIN

(Arabidopsis
thaliana) 		PF00191
(Annexin) 		4 THR A 142
ASP A 144
ASN A 185
ASP A 186
 None
 1.17A 2okcA-1ycnA:
undetectable		 2okcA-1ycnA:
22.69
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.
1yhp CALCIUM-DEPENDENT
CELL ADHESION
MOLECULE-1

(Dictyostelium
discoideum) 		PF08964
(Crystall_3)
PF14564
(Membrane_bind) 		4 THR A 203
THR A  28
ASN A  38
ASP A  39
 None
 1.07A 2okcA-1yhpA:
undetectable		 2okcA-1yhpA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.41A 2okcA-2f8lA:
25.5		 2okcA-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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 THR A 512
ARG A 513
ASN A 395
ASP A 344
 None
 1.34A 2okcA-2gepA:
undetectable		 2okcA-2gepA:
21.12
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.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caldanaerobacter
subterraneus) 		PF13407
(Peripla_BP_4) 		4 THR A 218
THR A 233
ASN A 105
ASP A 140
 None
 1.19A 2okcA-2ioyA:
undetectable		 2okcA-2ioyA:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 THR A 207
ASP A 216
ASN A 218
ASP A 223
 None
None
ACT  A1978 ( 4.2A)
MO  A1985 ( 2.5A)
 1.16A 2okcA-2ivfA:
undetectable		 2okcA-2ivfA:
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.
2m6m ERAD-ASSOCIATED E3
UBIQUITIN-PROTEIN
LIGASE DOA10

(Saccharomyces
cerevisiae) 		PF12906
(RINGv) 		4 THR A  26
THR A  38
ASN A  50
ASP A  49
 None
 1.28A 2okcA-2m6mA:
undetectable		 2okcA-2m6mA:
12.41
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.
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
 1.18A 2okcA-2nn6F:
undetectable		 2okcA-2nn6F:
21.65
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
ASN A 215
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 (-3.2A)
SAM  A 500 (-3.3A)
 0.07A 2okcA-2okcA:
68.0		 2okcA-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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 THR A 207
ASP A 210
ASN A 216
ASP A 289
 None
CA  A1526 (-2.8A)
CA  A1526 (-3.3A)
None
 1.33A 2okcA-2yeqA:
undetectable		 2okcA-2yeqA:
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		4 THR A  20
THR A 318
ASN A 332
ASP A 335
 None
 1.20A 2okcA-2zsiA:
undetectable		 2okcA-2zsiA:
21.20
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 THR A 243
ARG A 289
THR A 247
ASN A 191
 None
 1.16A 2okcA-3aflA:
2.1		 2okcA-3aflA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 ARG A 208
THR A 188
ASN A 141
ASP A 103
 None
 1.33A 2okcA-3al8A:
undetectable		 2okcA-3al8A:
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.
3aut GLUCOSE
1-DEHYDROGENASE 4

(Bacillus
megaterium) 		PF13561
(adh_short_C2) 		4 ARG A 125
ASP A 114
ASN A 110
ASP A 107
 None
 1.25A 2okcA-3autA:
5.3		 2okcA-3autA:
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.
3b8l UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF13577
(SnoaL_4) 		4 THR A 119
ARG A 117
THR A  36
ASP A  27
 None
 1.30A 2okcA-3b8lA:
undetectable		 2okcA-3b8lA:
15.56
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.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		4 THR A 166
ASP A 227
ASN A 248
ASP A 269
 None
 1.26A 2okcA-3bz5A:
undetectable		 2okcA-3bz5A:
25.05
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 THR A  54
THR A  81
ASP A 102
ASP A 130
 SAH  A 464 (-3.5A)
None
SAH  A 464 (-2.8A)
SAH  A 464 (-4.1A)
 0.92A 2okcA-3c3yA:
11.8		 2okcA-3c3yA:
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.
3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bacillus
halodurans) 		PF16499
(Melibiase_2) 		4 THR A 327
THR A 293
ASP A  19
ASP A  52
 None
None
None
IMD  A 437 (-3.3A)
 1.32A 2okcA-3cc1A:
undetectable		 2okcA-3cc1A:
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		4 THR A  49
ASP A  67
ASN A  68
ASP A  89
 None
 0.63A 2okcA-3ccfA:
12.3		 2okcA-3ccfA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2okcA-3e1sA:
undetectable		 2okcA-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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		4 THR A 542
ASP A 517
ASN A 516
ASP A 515
 None
 0.88A 2okcA-3eo3A:
undetectable		 2okcA-3eo3A:
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.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN) 		4 THR A 232
THR A 291
ASN A 104
ASP A 108
 None
 1.21A 2okcA-3k8vA:
undetectable		 2okcA-3k8vA:
20.80
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.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ARG A 267
THR A 260
ASN A  22
ASP A  47
 None
 1.02A 2okcA-3ldhA:
4.1		 2okcA-3ldhA:
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.
3mw4 NEUREXIN-2-BETA

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 THR A 207
ASP A 135
ASN A 151
ASP A 156
 None
CA  A   1 (-2.9A)
None
None
 1.06A 2okcA-3mw4A:
undetectable		 2okcA-3mw4A:
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.
3n90 THYLAKOID LUMENAL 15
KDA PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00805
(Pentapeptide) 		4 THR A 164
ASP A 142
ASN A 122
ASP A 102
 None
 1.29A 2okcA-3n90A:
undetectable		 2okcA-3n90A:
17.06
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.
3py9 PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		4 THR A 216
ASP A 241
ASN A 244
ASP A 245
 None
 1.09A 2okcA-3py9A:
undetectable		 2okcA-3py9A:
20.58
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.
3rom ADP-RIBOSYL CYCLASE
1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		4 THR A 148
THR A 144
ASN A 120
ASP A 202
 None
 1.29A 2okcA-3romA:
undetectable		 2okcA-3romA:
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.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		4 THR A 125
ASP A  46
ASN A  44
ASP A  43
 None
 1.27A 2okcA-3s2sA:
undetectable		 2okcA-3s2sA:
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.
3sku GLYCOPROTEIN D

(Human
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		4 THR A 131
ARG A  36
ASN A 171
ASP A 172
 None
 1.33A 2okcA-3skuA:
undetectable		 2okcA-3skuA:
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 THR A 921
ASP A 902
ASN A 876
ASP A 830
 None
 1.32A 2okcA-3syjA:
undetectable		 2okcA-3syjA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 THR A  70
ASP A 144
ASN A 171
ASP A 213
 None
NI  A 223 ( 2.5A)
NI  A 223 (-2.8A)
None
 1.31A 2okcA-3tr6A:
12.9		 2okcA-3tr6A:
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.
3wcs ERYTHROAGGLUTININ

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		4 THR A  63
THR A  54
ASP A 245
ASN A  96
 None
 1.27A 2okcA-3wcsA:
undetectable		 2okcA-3wcsA:
20.18
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.
3whc FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Bacillus
subtilis) 		PF00440
(TetR_N)
PF08359
(TetR_C_4) 		4 THR A 104
ARG A 109
THR A 165
ASP A 175
 ST9  A 201 (-4.4A)
ST9  A 201 (-3.9A)
None
None
 1.13A 2okcA-3whcA:
undetectable		 2okcA-3whcA:
19.71
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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 THR A 349
THR A 370
ASN A 200
ASP A 203
 EPE  A 602 ( 4.0A)
None
None
None
 1.17A 2okcA-3x0vA:
undetectable		 2okcA-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
 1.23A 2okcA-3zk4A:
undetectable		 2okcA-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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 THR A1901
ASP A2037
ASN A2040
ASP A2042
 None
 1.26A 2okcA-4asiA:
undetectable		 2okcA-4asiA:
20.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR A1315
THR A1508
ASN A1498
ASP A1497
 None
 1.21A 2okcA-4bedA:
undetectable		 2okcA-4bedA:
14.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 THR A 743
ARG A 767
ASP A 746
ASN A 748
 None
 1.18A 2okcA-4c4vA:
undetectable		 2okcA-4c4vA:
22.24
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.
4dlo BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR 3

(Homo sapiens) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		4 THR A 606
THR A 601
ASN A 625
ASP A 628
 None
None
NAG  A 904 (-1.6A)
None
 1.28A 2okcA-4dloA:
undetectable		 2okcA-4dloA:
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		4 THR A 524
ASP A 629
ASN A 605
ASP A 606
 None
 1.23A 2okcA-4ex4A:
undetectable		 2okcA-4ex4A:
23.40
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.
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
 1.23A 2okcA-4g9iA:
undetectable		 2okcA-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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		4 THR A 413
ARG A 320
ASN A  63
ASP A  64
 None
None
FAD  A 501 (-4.6A)
None
 1.32A 2okcA-4i59A:
undetectable		 2okcA-4i59A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)

(Pyrobaculum
aerophilum) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 252
THR A 232
ASN A  39
ASP A  42
 None
 1.22A 2okcA-4jbhA:
7.5		 2okcA-4jbhA:
20.66
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 THR A 334
ASP A 380
ASN A 404
ASP A 428
 None
 1.33A 2okcA-4kngA:
undetectable		 2okcA-4kngA:
20.40
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.
4mzq BETA-ALANYL-COA:AMMO
NIA LYASE

(Anaerotignum
propionicum) 		no annotation 4 THR A  38
ASP A  47
ASN A 128
ASP A 127
 None
 1.27A 2okcA-4mzqA:
undetectable		 2okcA-4mzqA:
15.52
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.
4n2z GH62
ARABINOFURANOSIDASE

(Podospora
anserina) 		PF03664
(Glyco_hydro_62) 		4 THR A  31
THR A  29
ASN A 304
ASP A 301
 None
 1.27A 2okcA-4n2zA:
undetectable		 2okcA-4n2zA:
22.53
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 THR A 205
THR A 151
ASP A 775
ASP A  57
 None
 1.33A 2okcA-4nmeA:
undetectable		 2okcA-4nmeA:
18.47
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.
4ohj TOXIC SHOCK SYNDROME
TOXIN-1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C) 		4 THR A 168
THR A 129
ASN A  77
ASP A  79
 None
 1.18A 2okcA-4ohjA:
undetectable		 2okcA-4ohjA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 453
THR A 457
ASP A 340
ASN A 329
 None
 0.96A 2okcA-4qdiA:
undetectable		 2okcA-4qdiA:
22.91
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.
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
 1.25A 2okcA-4qeiA:
undetectable		 2okcA-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
 1.09A 2okcA-4qmeA:
undetectable		 2okcA-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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		4 THR A 419
ASP A 253
ASN A 439
ASP A 436
 None
 1.27A 2okcA-4r12A:
undetectable		 2okcA-4r12A:
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 THR A 530
ASP A 526
ASN A 443
ASP A 512
 None
 1.26A 2okcA-4tweA:
undetectable		 2okcA-4tweA:
21.61
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.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		4 THR A  19
ASP A  34
ASN A  35
ASP A  53
 None
NAD  A 400 (-2.7A)
NAD  A 400 (-3.2A)
NAD  A 400 (-3.1A)
 0.97A 2okcA-4twrA:
4.9		 2okcA-4twrA:
23.31
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.
4u8u LINKER L2
LINKER L3

(Glossoscolex
paulistus;
Glossoscolex
paulistus) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C)
PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		4 ARG N  60
ASP O 190
ASN O 193
ASP O 195
 None
 1.25A 2okcA-4u8uN:
undetectable		 2okcA-4u8uN:
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 THR A 334
ASP A 380
ASN A 404
ASP A 428
 None
 1.28A 2okcA-4ufsA:
undetectable		 2okcA-4ufsA:
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.
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)
 1.19A 2okcA-4uy6A:
9.2		 2okcA-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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli;
Escherichia
coli) 		PF06754
(PhnG)
PF05861
(PhnI) 		4 ARG C 271
THR A  56
ASP C  95
ASP C 231
 None
 1.17A 2okcA-4xb6C:
undetectable		 2okcA-4xb6C:
21.37
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.
4xef PROTEIN-TYROSINE
KINASE 2-BETA

(Homo sapiens) 		PF03623
(Focal_AT) 		4 THR A 978
ASP A 986
ASN A 989
ASP A 992
 None
 1.32A 2okcA-4xefA:
undetectable		 2okcA-4xefA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 586
ARG A 483
THR A 557
ASP A 545
 None
 1.33A 2okcA-4xeuA:
undetectable		 2okcA-4xeuA:
22.27
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.
4xev FUSION PROTEIN OF
PROTEIN-TYROSINE
KINASE 2-BETA FAT
DOMAIN AND LEUPAXIN
LD1 MOTIF

(Homo sapiens) 		PF03623
(Focal_AT) 		4 THR A 978
ASP A 986
ASN A 989
ASP A 992
 None
 1.31A 2okcA-4xevA:
undetectable		 2okcA-4xevA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 THR A1232
ARG A1234
THR A1277
ASN A1058
 None
 1.18A 2okcA-4xqkA:
22.8		 2okcA-4xqkA:
14.76
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 681
ASP A 624
ASN A 694
ASP A 695
 None
 1.13A 2okcA-5a0zA:
undetectable		 2okcA-5a0zA:
22.25
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		4 THR A 326
THR A 349
ASN A 292
ASP A 291
 None
 1.30A 2okcA-5awfA:
undetectable		 2okcA-5awfA:
21.66
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.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 395
ASP A 335
ASN A 408
ASP A 409
 None
None
None
PGE  A 908 ( 4.8A)
 1.23A 2okcA-5bwdA:
undetectable		 2okcA-5bwdA:
20.11
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 THR A 503
ASP A 470
ASN A 446
ASP A 445
 None
CA  A 623 (-2.0A)
CA  A 626 (-4.7A)
CA  A 626 ( 2.4A)
 1.26A 2okcA-5erdA:
undetectable		 2okcA-5erdA:
23.91
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 434
THR A 415
ASP A 420
ASP A  56
 None
 1.06A 2okcA-5favA:
undetectable		 2okcA-5favA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 636
ASP A 824
ASN A 821
ASP A 764
 None
 1.21A 2okcA-5fjiA:
undetectable		 2okcA-5fjiA:
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 THR A 482
THR A 445
ASP A 442
ASP A 516
 None
None
None
NAG  A1501 (-3.6A)
 1.29A 2okcA-5fjiA:
undetectable		 2okcA-5fjiA:
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.
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
 1.03A 2okcA-5fyqA:
2.2		 2okcA-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.
5j5j DESMOCOLLIN-2,DESMOG
LEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 THR A 501
ASP A 468
ASN A 444
ASP A 443
 None
CA  A 632 (-2.1A)
CA  A 631 ( 4.5A)
CA  A 631 ( 2.7A)
 1.26A 2okcA-5j5jA:
undetectable		 2okcA-5j5jA:
23.86
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		4 THR A 210
THR A 186
ASN A 150
ASP A 383
 NAP  A 602 (-3.5A)
NAP  A 602 (-4.3A)
None
None
 0.90A 2okcA-5m10A:
3.1		 2okcA-5m10A:
22.24
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 THR A1875
THR A1975
ASP A1989
ASP A1991
 None
 1.24A 2okcA-5m5pA:
2.2		 2okcA-5m5pA:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 266
ARG A  68
ASP A 331
ASN A 333
 None
 1.17A 2okcA-5mzsA:
undetectable		 2okcA-5mzsA:
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 4 THR A 244
ARG A 246
ASN A 200
ASP A 203
 None
 1.20A 2okcA-5npyA:
undetectable		 2okcA-5npyA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 158
ASP A 120
ASN A  39
ASP A   6
 None
 1.24A 2okcA-5o8xA:
undetectable		 2okcA-5o8xA:
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.
5szp PROTOCADHERIN GAMMA
B7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 THR A 193
ASP A 186
ASN A 135
ASP A  95
 MAN  A 510 ( 1.9A)
CA  A 503 (-3.5A)
None
CA  A 502 (-3.3A)
 1.33A 2okcA-5szpA:
undetectable		 2okcA-5szpA:
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.
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)
 1.04A 2okcA-5w7kA:
12.6		 2okcA-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)
 1.01A 2okcA-5w7mA:
12.5		 2okcA-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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 4 THR A 250
ARG A 251
ASP A 269
ASP A 292
 None
None
SAM  A 501 (-2.7A)
SAM  A 501 (-3.4A)
 1.32A 2okcA-5w7pA:
8.5		 2okcA-5w7pA:
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.
5wtk CRISPR-ASSOCIATED
ENDORIBONUCLEASE
C2C2

(Leptotrichia
shahii) 		no annotation 4 ARG A 507
THR A 868
ASN A 665
ASP A 666
 None
 1.22A 2okcA-5wtkA:
undetectable		 2okcA-5wtkA:
14.26
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 4 THR A  12
ASP A  37
ASN A  39
ASP A  41
 None
 1.30A 2okcA-5x8hA:
5.6		 2okcA-5x8hA:
22.25
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.
5xya -

(-) 		no annotation 4 THR A1181
ASP A1198
ASN A1192
ASP A1285
 None
CA  A1705 (-3.5A)
CA  A1705 (-1.9A)
None
 1.13A 2okcA-5xyaA:
undetectable		 2okcA-5xyaA:
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 4 THR A 230
THR A 235
ASN A  61
ASP A  60
 INS  A 301 (-4.7A)
None
None
None
 1.28A 2okcA-5ysqA:
2.8		 2okcA-5ysqA:
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 4 THR A1489
THR A1482
ASP A1453
ASP A1375
 None
None
MG  A1604 ( 4.1A)
None
 1.28A 2okcA-6bhuA:
undetectable		 2okcA-6bhuA:
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 2okcA-6brrA:
6.6		 2okcA-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.
6bwf -

(-) 		no annotation 4 ARG A 385
ASP A 576
ASN A 579
ASP A 582
 None
 0.99A 2okcA-6bwfA:
undetectable		 2okcA-6bwfA:
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.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA

(Norwalk virus) 		no annotation 4 THR B 196
THR B 119
ASN B  74
ASP B  78
 None
 1.27A 2okcA-6crjB:
undetectable		 2okcA-6crjB:
undetectable