SIMILAR PATTERNS OF AMINO ACIDS FOR 2JJ8_C_AZZC1211

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.
1d5y ROB TRANSCRIPTION
FACTOR

(Escherichia
coli) 		PF06445
(GyrI-like)
PF12833
(HTH_18) 		5 VAL A  64
PHE A  96
GLN A  95
ARG A  57
ALA A  56
 None
 1.47A 2jj8C-1d5yA:
undetectable		 2jj8C-1d5yA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foe T-LYMPHOMA INVASION
AND METASTASIS
INDUCING PROTEIN 1

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 ILE A1187
VAL A1193
LEU A1194
GLN A1235
ALA A1147
 None
 1.48A 2jj8C-1foeA:
0.9		 2jj8C-1foeA:
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU B 539
VAL B 537
LEU B 532
ALA B  75
PHE B  74
 None
 1.23A 2jj8C-1gl9B:
undetectable		 2jj8C-1gl9B:
12.93
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.
1hz4 MALT REGULATORY
PROTEIN

(Escherichia
coli) 		no annotation 5 TRP A  87
LEU A 126
MET A 131
ARG A  82
ALA A  81
 None
BEZ  A 784 ( 3.9A)
BEZ  A 784 (-4.4A)
None
None
 1.42A 2jj8C-1hz4A:
undetectable		 2jj8C-1hz4A:
21.47
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.
1iqp RFCS

(Pyrococcus
furiosus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLU A 237
GLN A 275
ARG A 235
ALA A 234
PHE A 228
 None
 1.28A 2jj8C-1iqpA:
2.1		 2jj8C-1iqpA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		5 ILE A 171
VAL A  69
LEU A   5
ALA A 137
PHE A 140
 None
 1.11A 2jj8C-1jaxA:
undetectable		 2jj8C-1jaxA:
21.25
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 359
VAL A 618
TRP A 443
LEU A 622
PHE A 236
 None
 1.23A 2jj8C-1jx2A:
undetectable		 2jj8C-1jx2A:
12.33
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TRP A  88
GLN A 125
ARG A 163
ALA A 168
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
 1.03A 2jj8C-1vtkA:
13.3		 2jj8C-1vtkA:
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.
1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF06172
(Cupin_5) 		5 GLU A 196
LEU A 200
PHE A 150
GLN A 112
ALA A  12
 None
 1.46A 2jj8C-1xe7A:
undetectable		 2jj8C-1xe7A:
23.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		9 GLU A  53
VAL A  55
TRP A  58
LEU A  82
MET A  85
PHE A  96
GLN A  97
ARG A 128
PHE A 137
 DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
 0.68A 2jj8C-2a30A:
23.3		 2jj8C-2a30A:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		9 ILE A  30
GLU A  53
VAL A  55
TRP A  58
LEU A  82
PHE A  96
GLN A  97
ARG A 128
PHE A 137
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
 0.73A 2jj8C-2a30A:
23.3		 2jj8C-2a30A:
32.80
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ILE A1068
VAL A 108
LEU A  80
PHE A  78
ALA A 104
 None
 1.25A 2jj8C-2b5mA:
undetectable		 2jj8C-2b5mA:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6x CITRATE SYNTHASE 1

(Bacillus
subtilis) 		PF00285
(Citrate_synt) 		5 VAL A 148
LEU A 168
MET A 314
PHE A 319
ALA A 127
 None
 1.29A 2jj8C-2c6xA:
undetectable		 2jj8C-2c6xA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1p HYPOTHETICAL UPF0163
PROTEIN YHEN

(Escherichia
coli) 		PF02635
(DrsE) 		5 VAL A  73
LEU A  75
PHE A  39
ALA A  20
PHE A  21
 None
 1.41A 2jj8C-2d1pA:
undetectable		 2jj8C-2d1pA:
17.52
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 ILE A  69
GLU A 137
LEU A 149
ALA A 422
MET A 459
 None
 1.46A 2jj8C-2hruA:
undetectable		 2jj8C-2hruA:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		10 ILE A  29
TRP A  57
LEU A  66
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
MET A 118
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
None
 0.72A 2jj8C-2jcsA:
29.9		 2jj8C-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		10 VAL A  54
TRP A  57
LEU A  66
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
MET A 118
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
None
 0.58A 2jj8C-2jcsA:
29.9		 2jj8C-2jcsA:
99.57
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.
2lkn AH
RECEPTOR-INTERACTING
PROTEIN

(Homo sapiens) 		PF00254
(FKBP_C) 		5 VAL A 101
LEU A 105
MET A  60
PHE A 150
MET A 152
 None
 1.40A 2jj8C-2lknA:
undetectable		 2jj8C-2lknA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 ILE A 261
VAL A 270
LEU A 285
PHE A 204
ALA A 175
 None
 1.40A 2jj8C-2o7rA:
1.6		 2jj8C-2o7rA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.23A 2jj8C-2ocpA:
23.2		 2jj8C-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		8 ILE A  47
VAL A  72
TRP A  75
LEU A  96
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.78A 2jj8C-2ocpA:
23.2		 2jj8C-2ocpA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		7 VAL A  72
TRP A  75
LEU A  96
MET A  99
PHE A 110
GLN A 111
ARG A 142
 DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
 0.88A 2jj8C-2ocpA:
23.2		 2jj8C-2ocpA:
33.33
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.
2pbi REGULATOR OF
G-PROTEIN SIGNALING
9

(Mus musculus) 		PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma) 		5 ILE A 365
VAL A 384
LEU A 377
ALA A 331
PHE A 328
 None
 1.47A 2jj8C-2pbiA:
undetectable		 2jj8C-2pbiA:
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.
2pke HALOACID
DELAHOGENASE-LIKE
FAMILY HYDROLASE

(Xanthomonas
campestris) 		PF13419
(HAD_2) 		5 ILE A 203
VAL A 116
LEU A  23
PHE A 153
ALA A 124
 None
 1.22A 2jj8C-2pkeA:
undetectable		 2jj8C-2pkeA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2px0 FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHF

(Bacillus
subtilis) 		PF00448
(SRP54) 		5 LEU A 364
MET A 363
PHE A 360
PHE A 316
MET A 342
 None
 1.38A 2jj8C-2px0A:
1.9		 2jj8C-2px0A:
22.73
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.
2xly CLOQ

(Streptomyces
roseochromogenus) 		PF11468
(PTase_Orf2) 		5 VAL A 266
LEU A 235
ARG A  66
ALA A  50
PHE A  68
 None
 1.20A 2jj8C-2xlyA:
undetectable		 2jj8C-2xlyA:
22.02
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.
3a68 FERRITIN-4,
CHLOROPLASTIC

(Glycine max) 		PF00210
(Ferritin) 		5 LEU A 204
MET A 203
PHE A 200
GLN A 187
ALA A 186
 None
 1.48A 2jj8C-3a68A:
undetectable		 2jj8C-3a68A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 675
VAL A 671
LEU A 633
ARG A 680
ALA A 682
 None
 1.22A 2jj8C-3actA:
undetectable		 2jj8C-3actA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjs 50S RIBOSOMAL
PROTEIN L11
RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03946
(Ribosomal_L11_N)
no annotation 		5 ILE B  34
VAL B   8
TRP A  29
LEU B  10
MET A   1
 None
 1.40A 2jj8C-3cjsB:
undetectable		 2jj8C-3cjsB:
13.97
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ILE A 190
VAL A 276
LEU A 274
ALA A 329
PHE A 333
 None
 1.18A 2jj8C-3gcfA:
undetectable		 2jj8C-3gcfA:
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLU A 121
LEU A  33
PHE A 130
ARG A 124
ALA A 123
 None
 1.36A 2jj8C-3gjyA:
undetectable		 2jj8C-3gjyA:
18.89
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.
3h9d MICROTUBULE-ASSOCIAT
ED PROTEIN 1A/1B,
LIGHT CHAIN 3,
PUTATIVE

(Trypanosoma
brucei) 		PF02991
(Atg8) 		5 LEU A  57
MET A  93
ARG A  69
PHE A  51
MET A 109
 None
 1.36A 2jj8C-3h9dA:
undetectable		 2jj8C-3h9dA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 GLU A  50
VAL A  52
TRP A  19
LEU A  55
PHE A  21
 None
 1.46A 2jj8C-3isaA:
undetectable		 2jj8C-3isaA:
22.93
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		5 VAL P 318
LEU P 257
MET P 186
GLN P 250
ALA P 279
 None
 1.39A 2jj8C-3izyP:
undetectable		 2jj8C-3izyP:
15.92
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.
3j0k DNA-DIRECTED RNA
POLYMERASES I, II,
AND III 23 KDA
POLYPEPTIDE

(Homo sapiens) 		PF01192
(RNA_pol_Rpb6) 		5 GLU F 124
VAL F 109
LEU F 111
ARG F  97
ALA F  98
 None
 1.34A 2jj8C-3j0kF:
undetectable		 2jj8C-3j0kF:
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 185
LEU A 169
PHE A  74
GLN A  78
PHE A 160
 None
 1.30A 2jj8C-3l8kA:
undetectable		 2jj8C-3l8kA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 ILE A 276
LEU A  30
PHE A 437
GLN A 441
PHE A 450
 None
 1.30A 2jj8C-3lvvA:
undetectable		 2jj8C-3lvvA:
16.64
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.
3m8n POSSIBLE GLUTATHIONE
S-TRANSFERASE

(Rhodopseudomonas
palustris) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ILE A 106
VAL A 183
TRP A 186
LEU A 187
ALA A 162
 None
 1.20A 2jj8C-3m8nA:
undetectable		 2jj8C-3m8nA:
21.88
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 ILE A 266
VAL A 282
LEU A 450
PHE A 103
PHE A 443
 None
 1.20A 2jj8C-3me5A:
undetectable		 2jj8C-3me5A:
16.91
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 ILE A 414
LEU A 388
MET A 391
PHE A 354
ALA A 280
 None
None
None
None
TLA  A 427 ( 4.2A)
 0.83A 2jj8C-3mweA:
undetectable		 2jj8C-3mweA:
19.01
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.
3mxl NITROSOSYNTHASE

(Micromonospora
sp. ATCC 39149) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 VAL A 336
LEU A 253
PHE A 329
GLN A 330
ALA A 383
 None
 1.48A 2jj8C-3mxlA:
undetectable		 2jj8C-3mxlA:
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.
3ngx BIFUNCTIONAL PROTEIN
FOLD

(Thermoplasma
acidophilum) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ILE A 142
VAL A 153
LEU A 170
MET A 169
ALA A 200
 None
 1.38A 2jj8C-3ngxA:
undetectable		 2jj8C-3ngxA:
21.75
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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		5 VAL A  28
LEU A  39
MET A 384
PHE A  41
PHE A 334
 None
 1.50A 2jj8C-3nx3A:
undetectable		 2jj8C-3nx3A:
20.63
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		5 ILE A 353
VAL A 220
LEU A 260
PHE A 262
PHE A 302
 None
 1.42A 2jj8C-3p24A:
undetectable		 2jj8C-3p24A:
18.14
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.
3rh0 ARSENATE REDUCTASE

(Corynebacterium
glutamicum) 		PF01451
(LMWPc) 		5 ILE A  32
VAL A  78
TRP A  99
LEU A  80
ALA A 125
 None
 1.34A 2jj8C-3rh0A:
undetectable		 2jj8C-3rh0A:
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.
3sei CASKIN-1

(Homo sapiens) 		PF00536
(SAM_1) 		5 ILE A  47
VAL A  10
TRP A  13
LEU A  14
PHE A  17
 None
 1.23A 2jj8C-3seiA:
undetectable		 2jj8C-3seiA:
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 336
GLU A 150
VAL A 192
LEU A 196
ARG A 153
 None
 1.47A 2jj8C-3t9pA:
undetectable		 2jj8C-3t9pA:
22.28
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 ILE A 198
VAL A  27
LEU A 165
PHE A 186
ALA A  80
 None
 1.40A 2jj8C-3ufaA:
undetectable		 2jj8C-3ufaA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ILE A 257
VAL A 128
LEU A 143
PHE A 121
MET A 210
 None
 1.27A 2jj8C-3ujgA:
undetectable		 2jj8C-3ujgA:
20.37
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.
4a45 ALPHA-N-ACETYLGLUCOS
AMINIDASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 VAL A1472
LEU A1436
PHE A1464
ALA A1493
PHE A1492
 None
 1.18A 2jj8C-4a45A:
undetectable		 2jj8C-4a45A:
20.69
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.
4b67 L-ORNITHINE N5
MONOOXYGENASE

(Aspergillus
fumigatus) 		PF13434
(K_oxygenase) 		5 ILE A 277
VAL A 365
LEU A 220
MET A 216
ALA A 400
 None
 1.36A 2jj8C-4b67A:
undetectable		 2jj8C-4b67A:
18.65
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.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 VAL A 259
LEU A 263
MET A 267
PHE A 266
ALA A 291
 HEM  A 501 ( 4.3A)
None
None
None
None
 1.28A 2jj8C-4dxyA:
undetectable		 2jj8C-4dxyA:
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.
4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A)
PF11934
(DUF3452) 		5 ILE A 172
GLU A 280
LEU A 220
MET A 219
PHE A 216
 None
 1.33A 2jj8C-4eljA:
undetectable		 2jj8C-4eljA:
18.22
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.
4g8d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Ochrobactrum
sp. T63) 		PF00561
(Abhydrolase_1) 		5 ILE A  93
GLU A  19
VAL A  17
LEU A   8
ARG A  53
 None
 1.42A 2jj8C-4g8dA:
undetectable		 2jj8C-4g8dA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 ILE A 124
VAL A  86
LEU A 140
PHE A 157
ALA A  61
 None
 1.46A 2jj8C-4giwA:
undetectable		 2jj8C-4giwA:
20.99
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.
4i66 UNCHARACTERIZED
PROTEIN HOCH_4089

(Haliangium
ochraceum) 		PF13709
(DUF4159) 		5 ILE A 117
VAL A 139
LEU A 105
ALA A  95
PHE A  94
 None
 1.25A 2jj8C-4i66A:
undetectable		 2jj8C-4i66A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ILE A 278
VAL A1297
LEU A1292
ARG A 358
ALA A 356
 None
 1.37A 2jj8C-4iglA:
undetectable		 2jj8C-4iglA:
9.68
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.
4ip3 ORF169B

(Shigella
flexneri) 		no annotation 5 GLU A 113
VAL A 181
LEU A 169
PHE A 167
ARG A 121
 None
 0.87A 2jj8C-4ip3A:
undetectable		 2jj8C-4ip3A:
22.52
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.
4ip3 ORF169B

(Shigella
flexneri) 		no annotation 5 ILE A 107
GLU A 113
VAL A 181
LEU A 169
ARG A 121
 None
 1.33A 2jj8C-4ip3A:
undetectable		 2jj8C-4ip3A:
22.52
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ILE A 516
GLU A 522
LEU A 501
ARG A 450
ALA A 453
 None
 1.27A 2jj8C-4ktpA:
undetectable		 2jj8C-4ktpA:
14.53
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.
4m9w ARA H 8 ALLERGEN

(Arachis
hypogaea) 		PF00407
(Bet_v_1) 		5 ILE A  10
GLU A 147
VAL A  14
ARG A 144
ALA A 145
 None
 1.42A 2jj8C-4m9wA:
undetectable		 2jj8C-4m9wA:
21.99
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.
4mde METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF13671
(AAA_33) 		5 ILE A   5
VAL A 164
LEU A 155
PHE A 106
ALA A  25
 None
 1.34A 2jj8C-4mdeA:
8.2		 2jj8C-4mdeA:
25.32
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.
4n17 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Burkholderia
ambifaria) 		PF03480
(DctP) 		5 GLU A 252
MET A  87
PHE A 240
ALA A 255
MET A  48
 None
 1.28A 2jj8C-4n17A:
undetectable		 2jj8C-4n17A:
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		5 ILE A 282
VAL A 216
LEU A 213
PHE A 186
ALA A 226
 None
 1.49A 2jj8C-4n2xA:
undetectable		 2jj8C-4n2xA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nc6 RAB
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 ILE A 706
TRP A 727
LEU A 787
PHE A 783
ALA A 720
 None
 1.24A 2jj8C-4nc6A:
undetectable		 2jj8C-4nc6A:
21.28
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.
4nmn REPLICATIVE DNA
HELICASE

(Aquifex
aeolicus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 ILE A 219
VAL A 411
LEU A 391
ALA A 436
MET A 250
 None
 1.49A 2jj8C-4nmnA:
2.8		 2jj8C-4nmnA:
20.37
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.
4xul MG662

(Megavirus
chiliensis) 		no annotation 5 ILE A 317
GLU A 346
VAL A 342
ALA A 350
PHE A 312
 None
 1.41A 2jj8C-4xulA:
undetectable		 2jj8C-4xulA:
19.65
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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 ILE A 156
GLU A 154
VAL A 132
LEU A 203
ALA A 138
 None
 1.26A 2jj8C-4yj5A:
undetectable		 2jj8C-4yj5A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A   4
VAL A  78
LEU A  20
PHE A  22
ALA A 111
 None
 1.31A 2jj8C-4zi6A:
undetectable		 2jj8C-4zi6A:
17.94
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1814
MET A1840
ALA A 952
PHE A 949
MET A1786
 None
 1.48A 2jj8C-5a31A:
undetectable		 2jj8C-5a31A:
9.99
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ILE A 194
GLU A 331
LEU A 187
ARG A 335
PHE A 336
 None
 1.15A 2jj8C-5fq6A:
undetectable		 2jj8C-5fq6A:
18.12
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ILE A1068
VAL A 108
LEU A  80
PHE A  78
ALA A 104
 None
 1.26A 2jj8C-5fqdA:
undetectable		 2jj8C-5fqdA:
14.18
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.
5gsz KINESIN-LIKE PROTEIN
KIF19

(Mus musculus) 		PF00225
(Kinesin) 		5 ILE A 179
VAL A 223
LEU A 151
ARG A 245
ALA A 227
 None
 1.32A 2jj8C-5gszA:
undetectable		 2jj8C-5gszA:
21.25
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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		5 ILE A 213
VAL A 236
LEU A 240
ALA A  70
PHE A  66
 None
 1.37A 2jj8C-5gzsA:
undetectable		 2jj8C-5gzsA:
20.82
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.
5jp9 CMP
5-HYDROXYMETHYLASE

(Streptomyces
rimofaciens) 		PF00303
(Thymidylat_synt) 		5 ILE A  53
LEU A  45
PHE A  43
GLN A  16
ALA A 179
 None
 1.29A 2jj8C-5jp9A:
undetectable		 2jj8C-5jp9A:
19.94
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.
5kci UNCHARACTERIZED
PROTEIN YPL067C

(Saccharomyces
cerevisiae) 		PF12239
(DUF3605) 		5 ILE A 190
VAL A 169
LEU A 134
PHE A 133
ALA A  88
 None
None
None
None
ZN  A 201 ( 4.0A)
 1.46A 2jj8C-5kciA:
undetectable		 2jj8C-5kciA:
20.25
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 ILE A2508
VAL A2450
LEU A2484
PHE A2486
ALA A2421
 None
 1.35A 2jj8C-5lkiA:
undetectable		 2jj8C-5lkiA:
6.36
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 VAL N 574
LEU N 540
MET N 539
ALA N 556
PHE N 553
 None
 1.48A 2jj8C-5mpdN:
undetectable		 2jj8C-5mpdN:
11.87
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ILE A 414
LEU A 388
MET A 391
PHE A 354
ALA A 280
 None
None
None
None
7A2  A 901 ( 4.1A)
 0.93A 2jj8C-5te1A:
undetectable		 2jj8C-5te1A:
14.30
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.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLU A 224
VAL A  96
LEU A  93
ALA A 228
MET A 162
 None
 1.29A 2jj8C-5ugfA:
undetectable		 2jj8C-5ugfA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 GLU A 221
VAL A 216
LEU A 258
ARG A 224
PHE A 225
 None
 1.25A 2jj8C-5vncA:
undetectable		 2jj8C-5vncA:
16.81
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLU B1058
TRP B 995
LEU B1066
MET B1069
ARG B 980
 None
 1.35A 2jj8C-5vniB:
undetectable		 2jj8C-5vniB:
14.17
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 ILE A 292
VAL A 131
LEU A 204
ALA A 127
PHE A 157
 None
 1.39A 2jj8C-5y09A:
undetectable		 2jj8C-5y09A:
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.
6au1 PUTATIVE HEMIN
STORAGE PROTEIN

(Bordetella
bronchiseptica) 		no annotation 5 ILE A 457
VAL A 533
LEU A 470
ALA A 464
PHE A 376
 None
 1.50A 2jj8C-6au1A:
undetectable		 2jj8C-6au1A:
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.
6fpd PROTEIN AB21

(Agaricus
bisporus) 		no annotation 5 VAL A 101
LEU A 117
PHE A  92
ALA A 176
PHE A   7
 None
None
None
NA  A 301 ( 4.4A)
None
 1.23A 2jj8C-6fpdA:
undetectable		 2jj8C-6fpdA:
16.67
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLU O  53
LEU O  79
ARG O 126
PHE O 134
MET O 138
 ADP  O 401 ( 4.7A)
None
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
None
 1.07A 2jj8C-6g2jO:
undetectable		 2jj8C-6g2jO:
16.53
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLU O  53
LEU O  79
GLN O  97
PHE O 134
MET O 138
 ADP  O 401 ( 4.7A)
None
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
None
 1.22A 2jj8C-6g2jO:
undetectable		 2jj8C-6g2jO:
16.53