SIMILAR PATTERNS OF AMINO ACIDS FOR 3DCJ_A_THHA401_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3e GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE

(Escherichia
coli) 		PF00551
(Formyl_trans_N) 		5 MET A  89
ILE A  91
LEU A  92
ASN A 106
VAL A 139
 GAR  A 221 ( 4.3A)
NHR  A 220 (-4.3A)
NHR  A 220 (-3.9A)
NHR  A 220 (-3.0A)
NHR  A 220 (-4.5A)
 0.78A 3dcjA-1c3eA:
14.1
3dcjB-1c3eA:
28.4		 3dcjA-1c3eA:
32.89
3dcjB-1c3eA:
32.89
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.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		5 LEU A 106
LEU A 108
THR A 139
VAL A  66
PRO A 198
 None
 1.24A 3dcjA-1eltA:
undetectable
3dcjB-1eltA:
undetectable		 3dcjA-1eltA:
24.51
3dcjB-1eltA:
24.51
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 ILE A 423
LEU A 424
LEU A 411
THR A 203
VAL A 428
 None
 1.22A 3dcjA-1fokA:
undetectable
3dcjB-1fokA:
undetectable		 3dcjA-1fokA:
16.93
3dcjB-1fokA:
16.93
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 ILE A 220
LEU A 222
LEU A 234
VAL A 143
THR A 216
 None
None
None
None
NAG  A 600 ( 4.0A)
 1.12A 3dcjA-1fsuA:
undetectable
3dcjB-1fsuA:
undetectable		 3dcjA-1fsuA:
17.24
3dcjB-1fsuA:
17.24
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.
1iu8 PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Pyrococcus
horikoshii) 		PF01470
(Peptidase_C15) 		5 ILE A   3
LEU A   5
LEU A  26
THR A 111
VAL A 189
 None
 1.21A 3dcjA-1iu8A:
2.7
3dcjB-1iu8A:
3.3		 3dcjA-1iu8A:
22.57
3dcjB-1iu8A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		5 LEU A 447
LEU A 448
ASN A 425
VAL A 424
PRO A 440
 None
 1.24A 3dcjA-1j3bA:
undetectable
3dcjB-1j3bA:
undetectable		 3dcjA-1j3bA:
19.24
3dcjB-1j3bA:
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 LEU A  70
LEU A  73
PRO A  63
VAL A 144
PRO A 291
 None
 1.24A 3dcjA-1la2A:
3.6
3dcjB-1la2A:
undetectable		 3dcjA-1la2A:
18.65
3dcjB-1la2A:
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.
1m6u NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 ILE A 200
LEU A 195
THR A 213
VAL A 249
THR A 219
 None
 1.14A 3dcjA-1m6uA:
undetectable
3dcjB-1m6uA:
undetectable		 3dcjA-1m6uA:
20.65
3dcjB-1m6uA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		6 LEU A2729
LEU A2724
ASN A2735
VAL A2736
PRO A2656
PRO A2655
 None
 1.44A 3dcjA-1miuA:
undetectable
3dcjB-1miuA:
undetectable		 3dcjA-1miuA:
14.66
3dcjB-1miuA:
14.66
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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 110
LEU A 129
PRO A  56
THR A  40
THR A  84
 None
 1.19A 3dcjA-1oznA:
undetectable
3dcjB-1oznA:
undetectable		 3dcjA-1oznA:
23.71
3dcjB-1oznA:
23.71
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.
1p1a UV EXCISION REPAIR
PROTEIN RAD23
HOMOLOG B

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ILE A  55
LEU A  56
PRO A  43
THR A  78
VAL A  26
 None
 1.25A 3dcjA-1p1aA:
undetectable
3dcjB-1p1aA:
undetectable		 3dcjA-1p1aA:
18.13
3dcjB-1p1aA:
18.13
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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		5 MET A 175
LEU A  43
ASN A  45
THR A 166
THR A  33
 None
 1.25A 3dcjA-1p3cA:
undetectable
3dcjB-1p3cA:
undetectable		 3dcjA-1p3cA:
20.26
3dcjB-1p3cA:
20.26
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.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ILE A 682
LEU A 143
ASN A 706
THR A 185
PRO A 202
 None
 1.26A 3dcjA-1pd1A:
2.9
3dcjB-1pd1A:
undetectable		 3dcjA-1pd1A:
13.33
3dcjB-1pd1A:
13.33
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.
1qq0 CARBONIC ANHYDRASE

(Methanosarcina
thermophila) 		PF00132
(Hexapep)
PF14602
(Hexapep_2) 		6 SER A  72
ILE A 133
LEU A  80
ASN A  73
THR A 194
VAL A  74
 None
 1.47A 3dcjA-1qq0A:
undetectable
3dcjB-1qq0A:
undetectable		 3dcjA-1qq0A:
21.12
3dcjB-1qq0A:
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ILE A 291
LEU A 276
LEU A 240
PRO A 283
THR A 289
 None
 1.13A 3dcjA-1rf5A:
undetectable
3dcjB-1rf5A:
undetectable		 3dcjA-1rf5A:
19.86
3dcjB-1rf5A:
19.86
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		5 LEU A  72
ASN A  60
PRO A 195
VAL A  63
THR A  37
 None
 1.27A 3dcjA-1xrsA:
undetectable
3dcjB-1xrsA:
undetectable		 3dcjA-1xrsA:
19.08
3dcjB-1xrsA:
19.08
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.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 106
LEU A 108
THR A 139
VAL A  67
PRO A 198
 None
 1.17A 3dcjA-1zlrA:
undetectable
3dcjB-1zlrA:
undetectable		 3dcjA-1zlrA:
22.44
3dcjB-1zlrA:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zly PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Homo sapiens) 		PF00551
(Formyl_trans_N) 		5 MET A  89
ILE A  91
LEU A  92
ASN A 106
VAL A 139
 None
DQB  A1301 (-3.5A)
DQB  A1301 (-4.4A)
DQB  A1301 (-3.6A)
DQB  A1301 (-4.3A)
 0.53A 3dcjA-1zlyA:
15.6
3dcjB-1zlyA:
29.4		 3dcjA-1zlyA:
37.07
3dcjB-1zlyA:
37.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2acg PROFILIN II

(Acanthamoeba
castellanii) 		PF00235
(Profilin) 		5 ILE A  97
LEU A  96
LEU A  10
THR A  69
VAL A 113
 None
 1.28A 3dcjA-2acgA:
undetectable
3dcjB-2acgA:
undetectable		 3dcjA-2acgA:
22.33
3dcjB-2acgA:
22.33
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 199
LEU A 196
THR A 166
VAL A 291
PRO A 217
 None
 1.23A 3dcjA-2d4wA:
2.9
3dcjB-2d4wA:
undetectable		 3dcjA-2d4wA:
19.23
3dcjB-2d4wA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		5 MET A 237
LEU A 229
PRO A  55
VAL A 185
PRO A  33
 None
 1.17A 3dcjA-2dpmA:
2.1
3dcjB-2dpmA:
2.5		 3dcjA-2dpmA:
21.75
3dcjB-2dpmA:
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.
2e2c UBIQUITIN
CONJUGATING ENZYME

(Spisula
solidissima) 		PF00179
(UQ_con) 		5 LEU A 135
LEU A  66
PRO A  90
THR A 123
THR A 130
 None
 1.23A 3dcjA-2e2cA:
undetectable
3dcjB-2e2cA:
undetectable		 3dcjA-2e2cA:
21.62
3dcjB-2e2cA:
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 SER A 270
ILE A 205
LEU A 348
VAL A 274
PRO A 236
 None
None
None
MLY  A 275 ( 3.0A)
EDO  A  13 (-4.5A)
 1.26A 3dcjA-2etvA:
3.1
3dcjB-2etvA:
3.1		 3dcjA-2etvA:
22.90
3dcjB-2etvA:
22.90
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.
2h45 FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 LEU A  52
LEU A  54
ASN A  62
THR A  95
VAL A  61
 None
 1.16A 3dcjA-2h45A:
undetectable
3dcjB-2h45A:
undetectable		 3dcjA-2h45A:
21.00
3dcjB-2h45A:
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 157
LEU A 110
THR A  48
VAL A 418
PRO A  52
 None
None
FAD  A1001 (-4.1A)
None
None
 1.25A 3dcjA-2h88A:
2.5
3dcjB-2h88A:
3.0		 3dcjA-2h88A:
16.53
3dcjB-2h88A:
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.
2ha1 FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 LEU A 158
LEU A 160
ASN A 168
THR A 201
VAL A 167
 None
 1.21A 3dcjA-2ha1A:
undetectable
3dcjB-2ha1A:
undetectable		 3dcjA-2ha1A:
21.10
3dcjB-2ha1A:
21.10
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.
2hxr HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CYNR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		6 ILE A 132
LEU A 268
LEU A 155
THR A 200
VAL A 150
PRO A  99
 None
 1.42A 3dcjA-2hxrA:
undetectable
3dcjB-2hxrA:
undetectable		 3dcjA-2hxrA:
24.12
3dcjB-2hxrA:
24.12
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.
2iya OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		5 ILE A 360
LEU A 365
LEU A 396
THR A 139
THR A 334
 None
None
None
ZIO  A1425 (-3.7A)
None
 1.17A 3dcjA-2iyaA:
6.1
3dcjB-2iyaA:
6.8		 3dcjA-2iyaA:
23.66
3dcjB-2iyaA:
23.66
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.
2jgv TAGATOSE-6-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 SER A 134
ILE A 260
LEU A  46
VAL A  42
THR A 256
 None
 1.27A 3dcjA-2jgvA:
4.9
3dcjB-2jgvA:
5.5		 3dcjA-2jgvA:
20.41
3dcjB-2jgvA:
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.
2o6s VARIABLE LYMPHOCYTE
RECEPTOR B

(Eptatretus
burgeri) 		PF11921
(DUF3439)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 LEU A 104
LEU A 122
PRO A  50
THR A  34
THR A  78
 None
 1.13A 3dcjA-2o6sA:
undetectable
3dcjB-2o6sA:
undetectable		 3dcjA-2o6sA:
20.34
3dcjB-2o6sA:
20.34
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.
2poz PUTATIVE DEHYDRATASE

(Mesorhizobium
japonicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 314
LEU A 313
LEU A 347
THR A 290
THR A 318
 None
 1.06A 3dcjA-2pozA:
undetectable
3dcjB-2pozA:
undetectable		 3dcjA-2pozA:
19.02
3dcjB-2pozA:
19.02
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 LEU A 250
LEU A 343
PRO A 380
PRO A 437
PRO A 436
 None
 1.24A 3dcjA-2qtzA:
4.0
3dcjB-2qtzA:
3.7		 3dcjA-2qtzA:
17.48
3dcjB-2qtzA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 ILE A  22
LEU A  24
ASN A  89
THR A 189
VAL A   9
 None
 1.04A 3dcjA-2uvdA:
5.4
3dcjB-2uvdA:
5.7		 3dcjA-2uvdA:
26.39
3dcjB-2uvdA:
26.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 ILE A  92
LEU A  93
LEU A  98
ASN A 107
VAL A 140
 None
None
None
CO  A 704 ( 4.4A)
None
 0.64A 3dcjA-2ywrA:
28.3
3dcjB-2ywrA:
29.0		 3dcjA-2ywrA:
33.92
3dcjB-2ywrA:
33.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 LEU A  93
LEU A  98
ASN A 107
PRO A 110
VAL A 140
 None
None
CO  A 704 ( 4.4A)
None
None
 0.68A 3dcjA-2ywrA:
28.3
3dcjB-2ywrA:
29.0		 3dcjA-2ywrA:
33.92
3dcjB-2ywrA:
33.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 MET A  90
ILE A  92
LEU A  93
LEU A  98
VAL A 140
 None
 0.86A 3dcjA-2ywrA:
28.3
3dcjB-2ywrA:
29.0		 3dcjA-2ywrA:
33.92
3dcjB-2ywrA:
33.92
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.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 LEU A 511
LEU A 475
ASN A 457
PRO A 528
VAL A 501
 None
 1.19A 3dcjA-3a21A:
undetectable
3dcjB-3a21A:
undetectable		 3dcjA-3a21A:
18.21
3dcjB-3a21A:
18.21
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.
3ceu THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Bacteroides
thetaiotaomicron) 		PF02581
(TMP-TENI) 		5 ILE A  19
LEU A  22
LEU A  27
VAL A   5
THR A   7
 None
 1.04A 3dcjA-3ceuA:
undetectable
3dcjB-3ceuA:
undetectable		 3dcjA-3ceuA:
20.09
3dcjB-3ceuA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		8 ILE A 101
LEU A 102
LEU A 107
ASN A 116
PRO A 119
THR A 128
VAL A 149
THR A 153
 None
None
None
MG  A 601 (-2.8A)
None
None
None
None
 0.50A 3dcjA-3da8A:
36.1
3dcjB-3da8A:
34.2		 3dcjA-3da8A:
100.00
3dcjB-3da8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		6 MET A  99
ILE A 101
LEU A 102
LEU A 107
THR A 128
THR A 153
 None
 0.81A 3dcjA-3da8A:
36.1
3dcjB-3da8A:
34.2		 3dcjA-3da8A:
100.00
3dcjB-3da8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		6 SER A  95
ILE A 101
LEU A 102
ASN A 116
PRO A 119
THR A 153
 None
None
None
MG  A 601 (-2.8A)
None
None
 0.95A 3dcjA-3da8A:
36.1
3dcjB-3da8A:
34.2		 3dcjA-3da8A:
100.00
3dcjB-3da8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		5 SER A  95
MET A  99
ILE A 101
LEU A 102
THR A 153
 None
 1.10A 3dcjA-3da8A:
36.1
3dcjB-3da8A:
34.2		 3dcjA-3da8A:
100.00
3dcjB-3da8A:
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.
3eli AHA1 DOMAIN PROTEIN

(Ruegeria
pomeroyi) 		PF08327
(AHSA1) 		5 ILE A 102
LEU A 112
LEU A  17
THR A  72
VAL A  21
 None
 1.20A 3dcjA-3eliA:
undetectable
3dcjB-3eliA:
undetectable		 3dcjA-3eliA:
22.47
3dcjB-3eliA:
22.47
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.
3g3b VARIABLE LYMPHOCYTE
RECEPTOR VLRB.2D

(Petromyzon
marinus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A  82
LEU A 100
PRO A  28
THR A  12
THR A  56
 None
 1.18A 3dcjA-3g3bA:
undetectable
3dcjB-3g3bA:
undetectable		 3dcjA-3g3bA:
21.70
3dcjB-3g3bA:
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.
3g5o UNCHARACTERIZED
PROTEIN RV2866

(Mycobacterium
tuberculosis) 		PF05016
(ParE_toxin) 		5 LEU B  30
LEU B  38
PRO B  53
THR B  19
VAL B  41
 None
 1.23A 3dcjA-3g5oB:
undetectable
3dcjB-3g5oB:
undetectable		 3dcjA-3g5oB:
18.31
3dcjB-3g5oB:
18.31
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.
3g5o UNCHARACTERIZED
PROTEIN RV2865
UNCHARACTERIZED
PROTEIN RV2866

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF02604
(PhdYeFM_antitox)
PF05016
(ParE_toxin) 		5 ILE A  89
LEU B  38
PRO B  53
THR B  19
VAL B  41
 None
 1.25A 3dcjA-3g5oA:
undetectable
3dcjB-3g5oA:
undetectable		 3dcjA-3g5oA:
20.97
3dcjB-3g5oA:
20.97
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.
3if2 AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00155
(Aminotran_1_2) 		6 ILE A  16
LEU A  19
LEU A  23
THR A 151
VAL A 393
PRO A 400
 None
 1.42A 3dcjA-3if2A:
undetectable
3dcjB-3if2A:
undetectable		 3dcjA-3if2A:
17.98
3dcjB-3if2A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igx TRANSALDOLASE

(Francisella
tularensis) 		PF00923
(TAL_FSA) 		5 LEU A 252
LEU A 256
THR A 159
VAL A 237
THR A 247
 None
 1.11A 3dcjA-3igxA:
undetectable
3dcjB-3igxA:
undetectable		 3dcjA-3igxA:
24.77
3dcjB-3igxA:
24.77
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 194
LEU A 207
LEU A 343
PRO A 309
VAL A 341
 None
 1.19A 3dcjA-3iwaA:
3.6
3dcjB-3iwaA:
4.1		 3dcjA-3iwaA:
20.21
3dcjB-3iwaA:
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.
3jrk TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		5 SER A 245
ILE A 304
LEU A 307
LEU A 311
VAL A 270
 None
 1.21A 3dcjA-3jrkA:
undetectable
3dcjB-3jrkA:
undetectable		 3dcjA-3jrkA:
22.46
3dcjB-3jrkA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kcq PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Anaplasma
phagocytophilum) 		PF00551
(Formyl_trans_N) 		5 ILE A  90
LEU A  91
ASN A 105
PRO A 108
VAL A 138
 None
 0.88A 3dcjA-3kcqA:
26.8
3dcjB-3kcqA:
27.5		 3dcjA-3kcqA:
31.58
3dcjB-3kcqA:
31.58
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.
3lnn MEMBRANE FUSION
PROTEIN (MFP) HEAVY
METAL CATION EFFLUX
ZNEB (CZCB-LIKE)

(Cupriavidus
metallidurans) 		PF00529
(HlyD)
PF16576
(HlyD_D23) 		5 SER A  70
LEU A 184
ASN A  72
THR A 162
PRO A  62
 None
 1.28A 3dcjA-3lnnA:
undetectable
3dcjB-3lnnA:
undetectable		 3dcjA-3lnnA:
23.58
3dcjB-3lnnA:
23.58
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 ILE A 328
LEU A 307
LEU A 310
VAL A 291
PRO A 327
 None
 1.17A 3dcjA-3lq1A:
2.1
3dcjB-3lq1A:
2.5		 3dcjA-3lq1A:
17.59
3dcjB-3lq1A:
17.59
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.
3myo TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 1

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		5 SER A 248
ILE A 307
LEU A 310
LEU A 314
VAL A 273
 None
 1.18A 3dcjA-3myoA:
undetectable
3dcjB-3myoA:
undetectable		 3dcjA-3myoA:
24.27
3dcjB-3myoA:
24.27
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		5 MET A 175
ILE A 177
LEU A 178
ASN A 192
VAL A 225
 None
 0.76A 3dcjA-3obiA:
18.5
3dcjB-3obiA:
18.9		 3dcjA-3obiA:
28.04
3dcjB-3obiA:
28.04
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.
3otm CARBONIC ANHYDRASE

(Methanosarcina
thermophila) 		PF00132
(Hexapep)
PF14602
(Hexapep_2) 		5 SER A  72
LEU A  80
ASN A  73
THR A 194
VAL A  74
 None
 1.27A 3dcjA-3otmA:
undetectable
3dcjB-3otmA:
undetectable		 3dcjA-3otmA:
21.52
3dcjB-3otmA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 ILE A 144
LEU A 227
ASN A 223
VAL A 225
PRO A 149
 None
 1.28A 3dcjA-3pxnA:
undetectable
3dcjB-3pxnA:
undetectable		 3dcjA-3pxnA:
20.99
3dcjB-3pxnA:
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.
3q7h ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Coxiella
burnetii) 		PF00574
(CLP_protease) 		5 SER A  99
ILE A 154
LEU A 151
THR A  91
VAL A  72
 None
 1.21A 3dcjA-3q7hA:
undetectable
3dcjB-3q7hA:
undetectable		 3dcjA-3q7hA:
23.01
3dcjB-3q7hA:
23.01
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.
3tlz MCCF

(Escherichia
coli) 		PF02016
(Peptidase_S66) 		5 ILE A 215
LEU A 240
ASN A 262
VAL A 264
PRO A 232
 None
None
EDO  A 346 ( 4.7A)
None
None
 1.27A 3dcjA-3tlzA:
undetectable
3dcjB-3tlzA:
undetectable		 3dcjA-3tlzA:
19.21
3dcjB-3tlzA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3twi VARIABLE LYMPHOCYTE
RECEPTOR B

(Petromyzon
marinus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU D 102
LEU D 120
PRO D  48
THR D  32
THR D  76
 None
 1.18A 3dcjA-3twiD:
undetectable
3dcjB-3twiD:
undetectable		 3dcjA-3twiD:
22.87
3dcjB-3twiD:
22.87
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.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 ILE A  61
LEU A  82
PRO A 231
THR A 128
VAL A 180
 None
 1.02A 3dcjA-3uaqA:
undetectable
3dcjB-3uaqA:
undetectable		 3dcjA-3uaqA:
18.00
3dcjB-3uaqA:
18.00
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.
3zuc CELLULOSOMAL
SCAFFOLDIN

(Acetivibrio
cellulolyticus) 		PF00942
(CBM_3) 		5 ILE A 104
LEU A  28
LEU A   6
VAL A  41
PRO A  63
 None
 1.15A 3dcjA-3zucA:
undetectable
3dcjB-3zucA:
undetectable		 3dcjA-3zucA:
18.06
3dcjB-3zucA:
18.06
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 SER X 573
ILE X 378
LEU X 548
ASN X 572
THR X 215
 None
None
None
None
PO4  X 801 (-4.0A)
 1.18A 3dcjA-3zyyX:
2.0
3dcjB-3zyyX:
undetectable		 3dcjA-3zyyX:
17.74
3dcjB-3zyyX:
17.74
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.
4bn2 KINESIN-LIKE PROTEIN
KIF15

(Homo sapiens) 		PF00225
(Kinesin) 		5 ILE A 153
LEU A 163
LEU A 164
THR A  90
THR A 227
 None
 1.21A 3dcjA-4bn2A:
undetectable
3dcjB-4bn2A:
undetectable		 3dcjA-4bn2A:
22.41
3dcjB-4bn2A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 LEU V1040
ASN V1053
PRO V  87
VAL V1052
PRO V1086
 None
 1.06A 3dcjA-4bxsV:
undetectable
3dcjB-4bxsV:
undetectable		 3dcjA-4bxsV:
9.92
3dcjB-4bxsV:
9.92
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.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		5 ILE A 204
LEU A 218
THR A  82
THR A  77
PRO A   7
 None
PMS  A 301 ( 4.3A)
None
None
None
 1.13A 3dcjA-4dztA:
2.9
3dcjB-4dztA:
3.1		 3dcjA-4dztA:
24.29
3dcjB-4dztA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A 200
LEU A 174
ASN A 158
THR A 132
THR A 103
 None
 1.22A 3dcjA-4epaA:
undetectable
3dcjB-4epaA:
undetectable		 3dcjA-4epaA:
18.54
3dcjB-4epaA:
18.54
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ILE A 140
LEU A 201
LEU A 128
VAL A  24
PRO A 142
 None
 1.26A 3dcjA-4gaaA:
undetectable
3dcjB-4gaaA:
undetectable		 3dcjA-4gaaA:
16.14
3dcjB-4gaaA:
16.14
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 SER A 438
MET A  93
LEU A  87
LEU A 449
VAL A 451
 None
 1.11A 3dcjA-4gz7A:
undetectable
3dcjB-4gz7A:
undetectable		 3dcjA-4gz7A:
20.21
3dcjB-4gz7A:
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.
4i5v 5',5'''-P-1,P-4-TETR
APHOSPHATE
PHOSPHORYLASE 2

(Saccharomyces
cerevisiae) 		PF09830
(ATP_transf) 		5 LEU A  89
LEU A   6
THR A 116
VAL A 126
THR A 122
 None
 1.08A 3dcjA-4i5vA:
undetectable
3dcjB-4i5vA:
undetectable		 3dcjA-4i5vA:
19.58
3dcjB-4i5vA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENC2

(Yersinia
entomophaga) 		no annotation 5 ILE B 514
LEU B 515
LEU B 203
THR B 231
PRO B 535
 None
 1.27A 3dcjA-4iglB:
undetectable
3dcjB-4iglB:
undetectable		 3dcjA-4iglB:
15.20
3dcjB-4iglB:
15.20
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum) 		PF00082
(Peptidase_S8) 		5 ILE A 545
LEU A 546
PRO A 610
THR A 605
VAL A 553
 None
 1.07A 3dcjA-4lvoA:
2.9
3dcjB-4lvoA:
2.9		 3dcjA-4lvoA:
18.36
3dcjB-4lvoA:
18.36
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.
4m03 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		5 ILE A 212
ASN A 240
THR A 208
VAL A 242
THR A 284
 None
 1.18A 3dcjA-4m03A:
undetectable
3dcjB-4m03A:
undetectable		 3dcjA-4m03A:
19.49
3dcjB-4m03A:
19.49
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.
4m9q ARF-LIKE GTPASE

(Chlamydomonas
reinhardtii) 		PF00025
(Arf) 		5 ILE A  90
LEU A  24
THR A 183
VAL A  67
PRO A 122
 None
 1.19A 3dcjA-4m9qA:
3.8
3dcjB-4m9qA:
3.6		 3dcjA-4m9qA:
23.60
3dcjB-4m9qA:
23.60
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP1
COXSACKIEVIRUS
CAPSID PROTEIN VP3
COXSACKIEVIRUS
CAPSID PROTEIN VP4

(Enterovirus C;
Enterovirus C;
Enterovirus C) 		PF00073
(Rhv)
PF00073
(Rhv)
PF02226
(Pico_P1A) 		5 SER 1  75
LEU 3 103
PRO 1  25
VAL 3 221
PRO 4  50
 None
 1.18A 3dcjA-4q4y1:
undetectable
3dcjB-4q4y1:
undetectable		 3dcjA-4q4y1:
22.33
3dcjB-4q4y1:
22.33
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 ILE A 489
LEU A 490
PRO A 553
THR A 548
VAL A 497
 None
 1.08A 3dcjA-4tr2A:
2.5
3dcjB-4tr2A:
2.7		 3dcjA-4tr2A:
15.69
3dcjB-4tr2A:
15.69
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 ILE A 241
LEU A 298
VAL A  84
PRO A 287
PRO A 286
 None
 1.26A 3dcjA-4w91A:
2.4
3dcjB-4w91A:
undetectable		 3dcjA-4w91A:
22.64
3dcjB-4w91A:
22.64
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.
4wnx NETRIN-4

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		5 LEU A 119
LEU A 224
THR A 104
VAL A 258
PRO A  91
 None
None
CA  A 507 (-3.6A)
None
None
 1.26A 3dcjA-4wnxA:
undetectable
3dcjB-4wnxA:
undetectable		 3dcjA-4wnxA:
18.98
3dcjB-4wnxA:
18.98
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 LEU A 168
LEU A 206
THR A 243
THR A 293
PRO A 163
 None
 1.25A 3dcjA-4xiiA:
undetectable
3dcjB-4xiiA:
undetectable		 3dcjA-4xiiA:
18.67
3dcjB-4xiiA:
18.67
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 ILE A  15
LEU A 163
PRO A  64
THR A 345
PRO A 317
 FAD  A 401 (-3.9A)
None
None
None
None
 1.20A 3dcjA-4yshA:
2.8
3dcjB-4yshA:
3.4		 3dcjA-4yshA:
20.87
3dcjB-4yshA:
20.87
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 162
LEU A 160
LEU A 177
PRO A 193
VAL A 188
 None
 1.25A 3dcjA-4z26A:
2.2
3dcjB-4z26A:
2.6		 3dcjA-4z26A:
16.85
3dcjB-4z26A:
16.85
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ILE C 426
THR C 138
VAL C 494
THR C 158
PRO C 416
 None
 1.24A 3dcjA-4z42C:
undetectable
3dcjB-4z42C:
undetectable		 3dcjA-4z42C:
18.01
3dcjB-4z42C:
18.01
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.
5a9t PUTATIVE
DEHYDROGENASE

(Amycolatopsis
orientalis) 		PF03446
(NAD_binding_2) 		5 LEU A  79
LEU A  86
ASN A  93
THR A  98
VAL A  91
 None
 1.22A 3dcjA-5a9tA:
5.4
3dcjB-5a9tA:
4.9		 3dcjA-5a9tA:
25.89
3dcjB-5a9tA:
25.89
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.
5cjj PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 ILE A  96
LEU A  97
ASN A 109
PRO A 112
VAL A 142
 None
None
CL  A 203 (-3.9A)
None
None
 0.84A 3dcjA-5cjjA:
23.8
3dcjB-5cjjA:
23.6		 3dcjA-5cjjA:
26.70
3dcjB-5cjjA:
26.70
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.
5eod COAGULATION FACTOR
XI

(Homo sapiens) 		PF00024
(PAN_1)
PF00089
(Trypsin) 		5 LEU A 466
LEU A 468
THR A 499
VAL A 426
PRO A 560
 None
 1.25A 3dcjA-5eodA:
undetectable
3dcjB-5eodA:
undetectable		 3dcjA-5eodA:
16.03
3dcjB-5eodA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 MET A 184
LEU A  32
LEU A  34
PRO A  19
THR A  27
 None
 1.11A 3dcjA-5epeA:
undetectable
3dcjB-5epeA:
undetectable		 3dcjA-5epeA:
26.36
3dcjB-5epeA:
26.36
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.
5exp TRANSCRIPTIONAL
REGULATOR FLEQ

(Pseudomonas
aeruginosa) 		PF00158
(Sigma54_activat) 		5 ILE A 324
LEU A 327
LEU A 331
ASN A 361
VAL A 362
 None
None
None
None
EDO  A 404 (-4.2A)
 1.15A 3dcjA-5expA:
undetectable
3dcjB-5expA:
undetectable		 3dcjA-5expA:
25.75
3dcjB-5expA:
25.75
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.
5gu6 ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 44

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 ILE A  69
LEU A   5
LEU A  14
ASN A  23
VAL A  22
 None
 1.23A 3dcjA-5gu6A:
undetectable
3dcjB-5gu6A:
undetectable		 3dcjA-5gu6A:
17.85
3dcjB-5gu6A:
17.85
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.
5h3w FIBRONECTIN/FIBRINOG
EN BINDING PROTEIN

(Streptococcus
suis) 		PF05670
(DUF814)
PF05833
(FbpA) 		5 ILE A 144
LEU A 143
LEU A  13
ASN A 180
PRO A 163
 None
 1.20A 3dcjA-5h3wA:
undetectable
3dcjB-5h3wA:
undetectable		 3dcjA-5h3wA:
20.21
3dcjB-5h3wA:
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 5 ILE C  33
LEU C  32
THR C 367
VAL C  41
PRO C 362
 None
 1.23A 3dcjA-5h9uC:
undetectable
3dcjB-5h9uC:
undetectable		 3dcjA-5h9uC:
22.60
3dcjB-5h9uC:
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.
5hbt ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA 1

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 MET B 171
LEU B  37
LEU B  35
ASN B  53
VAL B  54
 None
 1.26A 3dcjA-5hbtB:
undetectable
3dcjB-5hbtB:
undetectable		 3dcjA-5hbtB:
23.63
3dcjB-5hbtB:
23.63
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 LEU A 376
LEU A 411
VAL A 401
PRO A 288
PRO A 287
 None
 1.07A 3dcjA-5hmqA:
undetectable
3dcjB-5hmqA:
undetectable		 3dcjA-5hmqA:
17.27
3dcjB-5hmqA:
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 LEU A1272
LEU A1242
VAL A1284
THR A1332
PRO A1318
 None
 1.16A 3dcjA-5jbeA:
undetectable
3dcjB-5jbeA:
undetectable		 3dcjA-5jbeA:
13.71
3dcjB-5jbeA:
13.71
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 LEU A  81
LEU A  80
ASN A  83
THR A 647
THR A  70
 None
 1.25A 3dcjA-5jxkA:
undetectable
3dcjB-5jxkA:
undetectable		 3dcjA-5jxkA:
16.25
3dcjB-5jxkA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kx6 GALACTOSIDE
2-ALPHA-L-FUCOSYLTRA
NSFERASE

(Arabidopsis
thaliana) 		PF03254
(XG_FTase) 		5 SER A 191
LEU A 307
LEU A 317
PRO A 526
PRO A 525
 None
 1.23A 3dcjA-5kx6A:
undetectable
3dcjB-5kx6A:
3.4		 3dcjA-5kx6A:
18.42
3dcjB-5kx6A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 5 LEU A 110
LEU A 129
PRO A  56
THR A  40
THR A  84
 None
 1.19A 3dcjA-5o0lA:
undetectable
3dcjB-5o0lA:
undetectable		 3dcjA-5o0lA:
23.81
3dcjB-5o0lA:
23.81
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.
5x90 HYPOTHETICAL
VIRULENCE PROTEIN

(Legionella
pneumophila) 		no annotation 5 SER D 151
LEU D  50
PRO D 192
VAL D 116
THR D 111
 None
 1.23A 3dcjA-5x90D:
undetectable
3dcjB-5x90D:
undetectable		 3dcjA-5x90D:
20.93
3dcjB-5x90D:
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.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 5 SER A 206
LEU A 157
LEU A 161
PRO A 195
VAL A 204
 None
 1.27A 3dcjA-5yu1A:
3.9
3dcjB-5yu1A:
3.8		 3dcjA-5yu1A:
undetectable
3dcjB-5yu1A:
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 LEU A 239
PRO A 176
VAL A 208
PRO A 233
PRO A 232
 None
 1.27A 3dcjA-6b5iA:
2.6
3dcjB-6b5iA:
2.7		 3dcjA-6b5iA:
undetectable
3dcjB-6b5iA:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 MET A 763
ILE A 751
LEU A 734
ASN A 704
PRO A 672
 None
 1.24A 3dcjA-6eotA:
3.6
3dcjB-6eotA:
2.8		 3dcjA-6eotA:
undetectable
3dcjB-6eotA:
undetectable