SIMILAR PATTERNS OF AMINO ACIDS FOR 4BUP_B_SAMB500

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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 SER A  82
GLY A  97
ALA A 100
CYH A 122
CYH A 120
 None
None
None
ZN  A 405 (-2.3A)
ZN  A 405 (-2.1A)
 1.49A 4bupB-1b4eA:
undetectable		 4bupB-1b4eA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 GLY A 410
ALA A 412
PHE A 430
CYH A 314
CYH A 374
 None
 1.19A 4bupB-1ex0A:
undetectable		 4bupB-1ex0A:
15.94
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 GLY A 481
ALA A 479
HIS A 746
TYR A 194
GLU A 675
 None
None
PLD  A2007 ( 3.9A)
PLD  A2005 (-4.4A)
None
 1.43A 4bupB-1lshA:
undetectable		 4bupB-1lshA:
13.18
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 153
GLY A 154
ALA A 192
HIS A 171
CYH A 139
 None
 1.46A 4bupB-1rvkA:
undetectable		 4bupB-1rvkA:
19.29
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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 SER A 253
GLY A 187
ALA A 222
SER A 212
GLU A 151
 SO4  A1001 ( 4.8A)
None
None
None
CBQ  A2001 ( 3.0A)
 1.44A 4bupB-1t1sA:
undetectable		 4bupB-1t1sA:
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 256
ALA A 255
SER A  55
PHE A  38
GLU A  37
 None
 1.16A 4bupB-1vb3A:
0.1		 4bupB-1vb3A:
23.56
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 TYR A 280
SER A  34
SER A  38
PHE A  71
GLU A 288
 None
 1.04A 4bupB-2b4wA:
0.0		 4bupB-2b4wA:
23.49
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.
2cb9 FENGYCIN SYNTHETASE

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.98A 4bupB-2cb9A:
0.0		 4bupB-2cb9A:
22.03
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.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 TYR A  80
GLY A  79
ALA A  82
SER A 429
GLU A 400
 None
None
None
HEM  A 500 (-2.9A)
None
 1.41A 4bupB-2nnjA:
1.5		 4bupB-2nnjA:
21.33
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 163
ALA A 160
SER A 118
PHE A 286
GLU A 276
 None
None
None
None
MG  A1449 ( 2.7A)
 1.37A 4bupB-2vqdA:
undetectable		 4bupB-2vqdA:
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.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		5 GLY A 406
ALA A 405
SER A  61
PHE A  21
GLU A  14
 None
 1.44A 4bupB-2zblA:
undetectable		 4bupB-2zblA:
18.97
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		5 GLY A 226
ALA A 227
SER A 256
PHE A 190
GLU A 222
 None
 1.25A 4bupB-3e3mA:
undetectable		 4bupB-3e3mA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f7c PROTEIN OF UNKNOWN
FUNCTION (DUF416)

(Marinobacter
hydrocarbonoclasticus) 		PF04222
(DUF416) 		5 TYR A  91
GLY A  89
ALA A  87
PHE A 129
SER A 133
 None
 1.35A 4bupB-3f7cA:
undetectable		 4bupB-3f7cA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 GLY A 131
ALA A 132
SER A 310
PHE A 403
GLU A 402
 None
 1.46A 4bupB-3k1dA:
undetectable		 4bupB-3k1dA:
15.98
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A 342
ALA A 345
PHE A 412
SER A 411
GLU A  20
 K  A5600 (-4.4A)
None
None
None
None
 1.36A 4bupB-3l01A:
undetectable		 4bupB-3l01A:
21.59
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 HIS A 206
TYR A 252
PHE A 272
CYH A 274
CYH A 276
 None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
ZN  A 497 (-2.2A)
ZN  A 497 (-2.5A)
 1.09A 4bupB-3n71A:
7.5		 4bupB-3n71A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		no annotation 5 GLY A 100
PHE A 212
HIS A 169
TYR A 151
PHE A 171
 None
PEG  A 329 (-4.8A)
None
None
None
 1.34A 4bupB-3nqiA:
undetectable		 4bupB-3nqiA:
20.07
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.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		no annotation 5 GLY A 100
SER A 210
HIS A 169
TYR A 151
PHE A 171
 None
PEG  A 329 (-3.6A)
None
None
None
 1.46A 4bupB-3nqiA:
undetectable		 4bupB-3nqiA:
20.07
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 PHE A 145
HIS A 170
TYR A 207
CYH A 219
CYH A 221
 None
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
ZN  A 232 (-2.3A)
 1.46A 4bupB-3ooiA:
9.8		 4bupB-3ooiA:
25.35
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		5 TYR A 559
GLY A 540
PHE A 292
HIS A 562
PHE A 646
 None
 1.43A 4bupB-3pieA:
undetectable		 4bupB-3pieA:
12.88
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.
3ryl PROTEIN VPA1370

(Vibrio
parahaemolyticus) 		no annotation 5 SER A 376
GLY A 370
PHE A 311
CYH A 312
GLU A 314
 None
 1.50A 4bupB-3rylA:
3.3		 4bupB-3rylA:
22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		10 TYR A 114
GLY A 120
ALA A 121
PHE A 160
HIS A 183
TYR A 217
PHE A 222
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-3.2A)
SAH  A1247 (-4.1A)
None
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.33A 4bupB-4au7A:
34.0		 4bupB-4au7A:
59.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		10 TYR A 114
GLY A 120
ALA A 121
SER A 161
HIS A 183
TYR A 217
PHE A 222
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-3.2A)
SAH  A1247 (-4.1A)
None
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.67A 4bupB-4au7A:
34.0		 4bupB-4au7A:
59.63
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 TYR A  83
GLY A  85
ALA A  88
SER A 441
GLU A 456
 None
 1.38A 4bupB-4b92A:
undetectable		 4bupB-4b92A:
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.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A   5
GLY A   8
ALA A  79
SER A 106
PHE A 114
 None
 1.00A 4bupB-4bguA:
undetectable		 4bupB-4bguA:
21.71
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.
4c8y CAS6A

(Thermus
thermophilus) 		PF10040
(CRISPR_Cas6) 		5 TYR A 231
SER A 124
GLY A 191
ALA A 190
PHE A  48
 None
 1.19A 4bupB-4c8yA:
undetectable		 4bupB-4c8yA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 SER A 148
GLY A 377
ALA A 373
HIS A  58
PHE A  92
 SER  A 148 ( 0.0A)
GLY  A 377 ( 0.0A)
ALA  A 373 ( 0.0A)
HIS  A  58 (-1.0A)
PHE  A  92 ( 1.3A)
 1.34A 4bupB-4kqnA:
undetectable		 4bupB-4kqnA:
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 TYR A 235
GLY A 233
HIS A 225
PHE A 622
GLU A 620
 None
 1.25A 4bupB-4l37A:
undetectable		 4bupB-4l37A:
17.18
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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		5 GLY A 117
ALA A 115
HIS A  12
GLU A  17
CYH A  16
 None
 1.40A 4bupB-4lfeA:
undetectable		 4bupB-4lfeA:
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.
4u60 STRUCTURAL PROTEIN
VP1

(Human
polyomavirus 8) 		PF00718
(Polyoma_coat) 		5 TYR A  91
SER A 268
GLY A 207
ALA A 208
CYH A 215
 None
 1.15A 4bupB-4u60A:
undetectable		 4bupB-4u60A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  70
ALA A  88
HIS A  66
CYH A  43
CYH A 153
 None
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.2A)
ZN  A 401 (-2.3A)
 1.36A 4bupB-4w6zA:
undetectable		 4bupB-4w6zA:
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 652
GLY A 654
ALA A 657
SER A 706
GLU A 570
 None
 1.48A 4bupB-4wjlA:
undetectable		 4bupB-4wjlA:
14.78
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 1.03A 4bupB-4zo6A:
undetectable		 4bupB-4zo6A:
16.97
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.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		5 TYR C 788
GLY C 786
PHE C 790
PHE C 826
CYH C 825
 None
 1.46A 4bupB-5a6fC:
undetectable		 4bupB-5a6fC:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 TYR A 211
GLY A 164
ALA A 208
PHE A 238
PHE A 222
 None
 1.38A 4bupB-5by3A:
undetectable		 4bupB-5by3A:
15.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		7 TYR B 203
GLY B 209
PHE B 250
HIS B 273
TYR B 307
GLU B 320
CYH B 319
 SAM  B 402 (-3.7A)
SAM  B 402 (-3.4A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.3A)
 1.48A 4bupB-5cprB:
37.4		 4bupB-5cprB:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 TYR B 203
SER B 204
HIS B 273
CYH B 319
CYH B 321
 SAM  B 402 (-3.7A)
None
SAM  B 402 (-4.5A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
 1.14A 4bupB-5cprB:
37.4		 4bupB-5cprB:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		11 TYR B 203
SER B 205
GLY B 209
ALA B 210
PHE B 250
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 0.31A 4bupB-5cprB:
37.4		 4bupB-5cprB:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		11 TYR B 203
SER B 205
GLY B 209
ALA B 210
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 0.51A 4bupB-5cprB:
37.4		 4bupB-5cprB:
98.15
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		5 SER A 337
GLY A  68
ALA A  71
TYR A 381
GLU A  45
 None
 1.15A 4bupB-5dfmA:
undetectable		 4bupB-5dfmA:
18.25
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 5 GLY A 202
SER A 257
HIS A 263
GLU A 210
CYH A 211
 None
 1.29A 4bupB-5f0oA:
3.2		 4bupB-5f0oA:
14.44
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 TYR C 118
GLY C 114
ALA C  26
PHE C  96
CYH C  18
 None
 1.22A 4bupB-5gnwC:
undetectable		 4bupB-5gnwC:
21.02
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 SER A1084
HIS A1113
TYR A1154
CYH A1168
CYH A1170
 SAM  A1505 (-3.8A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
ZN  A1504 (-2.2A)
 1.35A 4bupB-5tuyA:
4.5		 4bupB-5tuyA:
21.85
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3
MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB)
PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 SER 5 174
GLY 3 304
ALA 3 303
SER 5 248
PHE 3 298
 None
 1.41A 4bupB-5udb5:
4.0		 4bupB-5udb5:
15.80
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 SER B 982
GLY B 820
PHE B 980
CYH B1029
GLU B1028
 None
 1.35A 4bupB-5xogB:
undetectable		 4bupB-5xogB:
11.90
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 5 TYR A  80
GLY A  79
ALA A  82
SER A 429
GLU A 400
 None
None
None
HEM  A 504 (-2.8A)
None
 1.48A 4bupB-5xxiA:
1.7		 4bupB-5xxiA:
19.96
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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		3 HIS A 448
GLU A  88
ASN A  74
 None
 0.94A 4bupB-1ac5A:
0.0		 4bupB-1ac5A:
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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		3 HIS A 295
GLU A 257
ASN A 246
 None
 0.88A 4bupB-1axnA:
0.6		 4bupB-1axnA:
22.94
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.
1bbp BILIN BINDING
PROTEIN

(Pieris
brassicae) 		PF00061
(Lipocalin) 		3 HIS A  61
GLU A  29
ASN A  35
 BLV  A 500 (-3.3A)
BLV  A 500 (-3.9A)
BLV  A 500 ( 3.9A)
 0.94A 4bupB-1bbpA:
undetectable		 4bupB-1bbpA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gco GLUCOSE
DEHYDROGENASE

(Bacillus
megaterium) 		PF13561
(adh_short_C2) 		3 HIS A 147
GLU A  96
ASN A 196
 None
None
NAD  A 601 (-3.9A)
 0.94A 4bupB-1gcoA:
0.0		 4bupB-1gcoA:
21.11
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.
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum bicolor) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		3 HIS B 414
GLU A  76
ASN A  61
 DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
 0.98A 4bupB-1gxsB:
0.0		 4bupB-1gxsB:
19.12
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.
1iqo HYPOTHETICAL PROTEIN
MTH1880

(Methanothermobacter) 		PF05370
(DUF749) 		3 HIS A  87
GLU A  39
ASN A  60
 None
 1.00A 4bupB-1iqoA:
undetectable		 4bupB-1iqoA:
20.32
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.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		3 HIS A 202
GLU A 143
ASN A  60
 None
MG  A 300 ( 2.7A)
None
 0.86A 4bupB-1k77A:
0.0		 4bupB-1k77A:
21.90
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.
1m3d TYPE IV COLLAGEN
NONCOLLAGENOUS
DOMAIN- ALPHA2

(Bos taurus) 		PF01413
(C4) 		3 HIS C 181
GLU C 172
ASN C 185
 None
 1.00A 4bupB-1m3dC:
0.0		 4bupB-1m3dC:
19.32
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		3 HIS A 515
GLU A 478
ASN A  44
 None
 0.92A 4bupB-1q47A:
0.0		 4bupB-1q47A:
18.64
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		3 HIS A 180
GLU A 384
ASN A   7
 SO4  A 400 (-3.9A)
None
None
 0.89A 4bupB-1tuuA:
undetectable		 4bupB-1tuuA:
22.36
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		3 HIS A 342
GLU A 293
ASN A 196
 AMP  A1456 (-4.1A)
None
None
 1.05A 4bupB-1ua4A:
undetectable		 4bupB-1ua4A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ujn DEHYDROQUINATE
SYNTHASE

(Thermus
thermophilus) 		PF01761
(DHQ_synthase) 		3 HIS A 243
GLU A  62
ASN A 141
 None
 0.84A 4bupB-1ujnA:
undetectable		 4bupB-1ujnA:
19.89
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.
1ujn DEHYDROQUINATE
SYNTHASE

(Thermus
thermophilus) 		PF01761
(DHQ_synthase) 		3 HIS A 247
GLU A  62
ASN A 141
 None
 0.77A 4bupB-1ujnA:
undetectable		 4bupB-1ujnA:
19.89
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.
1vgq FORMYL-COENZYME A
TRANSFERASE

(Oxalobacter
formigenes) 		PF02515
(CoA_transf_3) 		3 HIS A 404
GLU A 411
ASN A  32
 None
 0.95A 4bupB-1vgqA:
undetectable		 4bupB-1vgqA:
21.14
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.
1vsg VARIANT SURFACE
GLYCOPROTEIN MITAT
1.2

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		3 HIS A  71
GLU A 313
ASN A 306
 None
NAG  A 366 (-3.5A)
None
 0.96A 4bupB-1vsgA:
undetectable		 4bupB-1vsgA:
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		3 HIS B 166
GLU B 136
ASN A 318
 None
 0.78A 4bupB-1wytB:
undetectable		 4bupB-1wytB:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		3 HIS A 104
GLU A 153
ASN A 111
 ZN  A 401 ( 3.3A)
None
None
 1.01A 4bupB-2a5vA:
undetectable		 4bupB-2a5vA:
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.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 HIS A 249
GLU A 192
ASN A 244
 MN  A1002 ( 3.5A)
MN  A1003 ( 3.0A)
P3S  A5001 ( 4.7A)
 1.04A 4bupB-2d3aA:
undetectable		 4bupB-2d3aA:
19.70
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.
2fl3 R.HINP1I RESTRICTION
ENDONUCLEASE

(Haemophilus
influenzae) 		PF11463
(R-HINP1I) 		3 HIS A 118
GLU A 145
ASN A 111
 None
 0.95A 4bupB-2fl3A:
undetectable		 4bupB-2fl3A:
21.89
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		3 HIS A 295
GLU A 299
ASN A 201
 SO4  A 435 (-4.1A)
None
ZN  A 434 ( 2.7A)
 1.04A 4bupB-2qfrA:
undetectable		 4bupB-2qfrA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 HIS A 343
GLU A 169
ASN A  37
 None
 0.98A 4bupB-2qjjA:
0.9		 4bupB-2qjjA:
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 HIS A 337
GLU A 346
ASN A 168
 None
 1.00A 4bupB-2rjtA:
undetectable		 4bupB-2rjtA:
20.64
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		3 HIS A  98
GLU A  66
ASN A  60
 None
 0.83A 4bupB-2w48A:
undetectable		 4bupB-2w48A:
19.64
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.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Thermus
thermophilus) 		PF09488
(Osmo_MPGsynth) 		3 HIS A 115
GLU A  96
ASN A  63
 None
 0.91A 4bupB-2wvlA:
undetectable		 4bupB-2wvlA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		3 HIS A 682
GLU A 623
ASN A 763
 None
 0.91A 4bupB-2x05A:
undetectable		 4bupB-2x05A:
13.06
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.
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		3 HIS A  95
GLU A 229
ASN A 199
 None
 0.98A 4bupB-2xh1A:
undetectable		 4bupB-2xh1A:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		3 HIS A 211
GLU A 223
ASN A 511
 PO4  A1527 (-4.0A)
None
None
 1.03A 4bupB-2yeqA:
undetectable		 4bupB-2yeqA:
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.
2yqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Candida
albicans) 		PF01704
(UDPGP) 		3 HIS A 363
GLU A 391
ASN A 227
 None
None
GN1  A1001 (-3.1A)
 1.01A 4bupB-2yqhA:
undetectable		 4bupB-2yqhA:
18.18
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.
2yt0 AMYLOID BETA A4
PROTEIN AND AMYLOID
BETA A4 PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 2

(Mus musculus) 		PF00640
(PID)
PF10515
(APP_amyloid) 		3 HIS A  17
GLU A  14
ASN A 167
 None
 0.97A 4bupB-2yt0A:
undetectable		 4bupB-2yt0A:
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		3 HIS A 310
GLU A  63
ASN A  89
 None
 0.93A 4bupB-2z00A:
undetectable		 4bupB-2z00A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		3 HIS A 116
GLU A  97
ASN A  61
 None
 0.86A 4bupB-2zu8A:
undetectable		 4bupB-2zu8A:
21.14
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.
3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Methanocaldococcus
jannaschii) 		PF13476
(AAA_23) 		3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 0.97A 4bupB-3auxA:
undetectable		 4bupB-3auxA:
23.42
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.
3bww PROTEIN OF UNKNOWN
FUNCTION
DUF692/COG3220

(Histophilus
somni) 		PF05114
(DUF692) 		3 HIS A  59
GLU A 270
ASN A 174
 FE  A 307 (-3.4A)
FE  A 308 ( 2.5A)
CAC  A 309 (-3.2A)
 0.72A 4bupB-3bwwA:
undetectable		 4bupB-3bwwA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		3 HIS A 434
GLU A 530
ASN A 195
 None
 0.97A 4bupB-3c49A:
undetectable		 4bupB-3c49A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		3 HIS A 248
GLU A  63
ASN A 142
 ZN  A 344 (-2.9A)
NAD  A 400 (-2.7A)
NAD  A 400 (-3.0A)
 0.78A 4bupB-3clhA:
undetectable		 4bupB-3clhA:
19.61
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 HIS A 324
GLU A 503
ASN A 418
 None
 0.99A 4bupB-3fn9A:
undetectable		 4bupB-3fn9A:
16.50
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		3 HIS A 313
GLU A 469
ASN A 135
 FE2  A 534 (-3.4A)
None
None
 1.03A 4bupB-3fsnA:
undetectable		 4bupB-3fsnA:
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.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		3 HIS A 398
GLU A 337
ASN A 381
 None
 1.00A 4bupB-3h5qA:
undetectable		 4bupB-3h5qA:
18.71
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 HIS A 244
GLU A 332
ASN A 326
 None
 1.01A 4bupB-3ho8A:
undetectable		 4bupB-3ho8A:
13.17
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.
3i2n WD REPEAT-CONTAINING
PROTEIN 92

(Homo sapiens) 		PF00400
(WD40) 		3 HIS A 267
GLU A 273
ASN A 225
 None
 1.04A 4bupB-3i2nA:
undetectable		 4bupB-3i2nA:
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.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Yersinia
pseudotuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		3 HIS A 153
GLU A 152
ASN A 227
 None
MG  A 501 (-2.4A)
MG  A 501 ( 4.1A)
 0.90A 4bupB-3iieA:
2.1		 4bupB-3iieA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		3 HIS A 191
GLU A 206
ASN A 146
 None
 0.55A 4bupB-3l5aA:
undetectable		 4bupB-3l5aA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 3 HIS A 264
GLU A 189
ASN A 178
 None
 0.95A 4bupB-3lg5A:
undetectable		 4bupB-3lg5A:
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.
3mti RRNA METHYLASE

(Streptococcus
thermophilus) 		PF06962
(rRNA_methylase) 		3 HIS A 109
GLU A 113
ASN A  78
 None
 0.99A 4bupB-3mtiA:
undetectable		 4bupB-3mtiA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 HIS A 272
GLU A 215
ASN A 267
 MN  A 477 (-3.2A)
MN  A 475 (-3.1A)
None
 0.97A 4bupB-3ng0A:
undetectable		 4bupB-3ng0A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ngf AP ENDONUCLEASE,
FAMILY 2

(Brucella
abortus) 		PF01261
(AP_endonuc_2) 		3 HIS A 201
GLU A 142
ASN A  60
 None
MN  A 262 (-2.6A)
None
 0.98A 4bupB-3ngfA:
undetectable		 4bupB-3ngfA:
21.36
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		3 HIS A 654
GLU A 651
ASN A 448
 None
 0.99A 4bupB-3o8oA:
undetectable		 4bupB-3o8oA:
16.22
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.
3oig ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		3 HIS A 254
GLU A 152
ASN A 246
 None
 0.92A 4bupB-3oigA:
undetectable		 4bupB-3oigA:
20.33
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.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		3 HIS A 268
GLU A  77
ASN A 156
 None
NAD  A 367 (-3.0A)
NAD  A 367 ( 3.5A)
 0.60A 4bupB-3okfA:
undetectable		 4bupB-3okfA:
21.17
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.
3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN

(Clostridium
acetobutylicum) 		PF01263
(Aldose_epim) 		3 HIS A 108
GLU A 100
ASN A 216
 TLA  A 401 (-3.9A)
None
None
 1.04A 4bupB-3os7A:
undetectable		 4bupB-3os7A:
21.41
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.
3p1u SUSD HOMOLOG

(Parabacteroides
distasonis) 		PF12741
(SusD-like) 		3 HIS A 383
GLU A 380
ASN A 250
 None
 0.98A 4bupB-3p1uA:
undetectable		 4bupB-3p1uA:
19.28
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		3 HIS A 122
GLU A 103
ASN A 320
 None
 0.94A 4bupB-3qkiA:
undetectable		 4bupB-3qkiA:
17.36
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		3 HIS A 122
GLU A 119
ASN A 106
 None
 0.87A 4bupB-3qkiA:
undetectable		 4bupB-3qkiA:
17.36
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.
3qvq PHOSPHODIESTERASE
OLEI02445

(Oleispira
antarctica) 		PF03009
(GDPD) 		3 HIS A  56
GLU A  41
ASN A 170
 G3P  A 301 (-3.9A)
MG  A 310 ( 2.6A)
G3P  A 301 (-3.8A)
 1.04A 4bupB-3qvqA:
undetectable		 4bupB-3qvqA:
22.03
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.
3sp1 CYSTEINYL-TRNA
SYNTHETASE

(Borreliella
burgdorferi) 		PF01406
(tRNA-synt_1e) 		3 HIS A 242
GLU A 250
ASN A  65
 AMP  A 482 (-4.2A)
ZN  A 481 (-3.9A)
ZN  A 481 ( 4.5A)
 0.96A 4bupB-3sp1A:
undetectable		 4bupB-3sp1A:
20.74
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 HIS A 333
GLU A 342
ASN A 165
 None
NA  A 410 (-3.1A)
None
 1.00A 4bupB-3u0fA:
undetectable		 4bupB-3u0fA:
20.73
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.
3u9j F-BOX/LRR-REPEAT
PROTEIN 5

(Homo sapiens) 		PF01814
(Hemerythrin) 		3 HIS A 126
GLU A 129
ASN A  78
 FE  A 200 (-3.5A)
None
None
 1.03A 4bupB-3u9jA:
undetectable		 4bupB-3u9jA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum;
Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		3 HIS A 250
GLU A 545
ASN B  77
 None
 0.93A 4bupB-3vrbA:
undetectable		 4bupB-3vrbA:
15.93
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		3 HIS A 255
GLU A 245
ASN A 487
 None
 1.01A 4bupB-3wfaA:
undetectable		 4bupB-3wfaA:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		3 HIS A  32
GLU A 117
ASN A 182
 SAH  A1247 (-3.6A)
SAH  A1247 (-2.8A)
SAH  A1247 (-3.1A)
 0.29A 4bupB-4au7A:
34.0		 4bupB-4au7A:
59.63
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		3 HIS B 429
GLU A  69
ASN A  55
 S35  A1259 ( 3.9A)
None
S35  A1259 ( 3.7A)
 0.99A 4bupB-4az3B:
undetectable		 4bupB-4az3B:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bax GLUTAMINE SYNTHETASE

(Streptomyces
coelicolor) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 HIS A 237
GLU A 180
ASN A 232
 None
 0.94A 4bupB-4baxA:
undetectable		 4bupB-4baxA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c6s PROBABLE WRKY
TRANSCRIPTION FACTOR
52

(Arabidopsis
thaliana) 		no annotation 3 HIS A 146
GLU A   9
ASN A  91
 None
 0.98A 4bupB-4c6sA:
undetectable		 4bupB-4c6sA:
21.67
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		3 HIS A 199
GLU A 371
ASN A 250
 None
GOL  A 502 (-2.5A)
GOL  A 502 (-3.4A)
 1.04A 4bupB-4hu8A:
undetectable		 4bupB-4hu8A:
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 HIS A 320
GLU A 246
ASN A 223
 None
MG  A 501 (-2.8A)
TLA  A 502 (-3.7A)
 0.89A 4bupB-4it1A:
undetectable		 4bupB-4it1A:
21.18
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 HIS A 296
GLU A 504
ASN A 412
 None
 1.03A 4bupB-4jhzA:
undetectable		 4bupB-4jhzA:
18.95
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 HIS A 295
GLU A 501
ASN A 407
 None
 1.03A 4bupB-4jklA:
undetectable		 4bupB-4jklA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 HIS A 245
GLU A 189
ASN A 240
 PO4  A 504 ( 3.1A)
GLN  A 503 ( 2.7A)
GLN  A 503 (-4.6A)
 1.04A 4bupB-4lnfA:
undetectable		 4bupB-4lnfA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		3 HIS A 303
GLU A 228
ASN A 223
 None
 0.86A 4bupB-4n0rA:
undetectable		 4bupB-4n0rA:
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		3 HIS A 258
GLU A 227
ASN A 158
 CA  A 401 (-3.7A)
None
None
 0.85A 4bupB-4novA:
undetectable		 4bupB-4novA:
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 HIS A 255
GLU A 397
ASN A 473
 None
 1.01A 4bupB-4uwaA:
undetectable		 4bupB-4uwaA:
5.62
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.
4wmy INTELECTIN-1

(Homo sapiens) 		no annotation 3 HIS A 263
GLU A 230
ASN A 243
 3S6  A 404 (-3.8A)
None
None
 0.99A 4bupB-4wmyA:
undetectable		 4bupB-4wmyA:
21.58
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		3 HIS A 181
GLU A 186
ASN A 214
 None
 0.97A 4bupB-4xjxA:
undetectable		 4bupB-4xjxA:
13.49
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.
4xq2 CALE6

(Micromonospora
echinospora) 		PF01053
(Cys_Met_Meta_PP) 		3 HIS A 339
GLU A 332
ASN A 147
 None
None
MES  A 401 ( 4.8A)
 1.02A 4bupB-4xq2A:
undetectable		 4bupB-4xq2A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwi 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF02348
(CTP_transf_3) 		3 HIS A 134
GLU A 131
ASN A 234
 None
 1.04A 4bupB-4xwiA:
undetectable		 4bupB-4xwiA:
19.60
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		3 HIS E 144
GLU E 145
ASN E 186
 PGE  E 305 (-4.3A)
None
None
 0.92A 4bupB-5brrE:
undetectable		 4bupB-5brrE:
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.
5c5z GLUTAMYL-TRNA
AMIDOTRANSFERASE

(Escherichia
coli) 		no annotation 3 HIS A 127
GLU A  64
ASN A  19
 None
 0.98A 4bupB-5c5zA:
undetectable		 4bupB-5c5zA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		3 HIS B  98
GLU B 206
ASN B 272
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.1A)
 0.14A 4bupB-5cprB:
37.4		 4bupB-5cprB:
98.15
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.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		3 HIS A   0
GLU A 118
ASN A 232
 None
 0.68A 4bupB-5dnyA:
undetectable		 4bupB-5dnyA:
21.83
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.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		3 HIS A  71
GLU A  98
ASN A  89
 None
 1.02A 4bupB-5e2eA:
undetectable		 4bupB-5e2eA:
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.
5eks 3-DEHYDROQUINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF01761
(DHQ_synthase) 		3 HIS A 263
GLU A  72
ASN A 151
 MG  A 401 (-3.3A)
NAD  A 400 (-3.0A)
NAD  A 400 (-3.4A)
 0.64A 4bupB-5eksA:
undetectable		 4bupB-5eksA:
20.38
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.
5f05 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF5

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 HIS A  46
GLU A  40
ASN A  33
 None
 0.94A 4bupB-5f05A:
undetectable		 4bupB-5f05A:
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		3 HIS A1398
GLU A1385
ASN A1378
 None
 0.86A 4bupB-5h64A:
undetectable		 4bupB-5h64A:
7.44
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.
5h7a IMMUNOGLOBULIN
G-BINDING PROTEIN A

(Staphylococcus
aureus) 		no annotation 3 HIS C 138
GLU C 135
ASN C  96
 None
 0.70A 4bupB-5h7aC:
undetectable		 4bupB-5h7aC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		3 HIS A 317
GLU A 318
ASN A 381
 PO4  A 710 (-3.7A)
None
None
 0.97A 4bupB-5hqnA:
undetectable		 4bupB-5hqnA:
17.71
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.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		3 HIS A 264
GLU A  72
ASN A 152
 NAD  A 401 ( 4.6A)
NAD  A 401 (-2.6A)
NAD  A 401 (-3.5A)
 0.68A 4bupB-5hvnA:
undetectable		 4bupB-5hvnA:
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		3 HIS A 319
GLU A 320
ASN A 383
 PC  A 727 (-3.7A)
None
None
 1.01A 4bupB-5i85A:
undetectable		 4bupB-5i85A:
17.69
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 HIS A  25
GLU A  23
ASN A 102
 None
 0.95A 4bupB-5ijzA:
0.4		 4bupB-5ijzA:
21.95
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.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		3 HIS A 142
GLU A  69
ASN A  12
 None
CA  A 614 ( 2.9A)
CA  A 605 ( 3.9A)
 0.93A 4bupB-5iryA:
undetectable		 4bupB-5iryA:
19.06
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		3 HIS A 284
GLU A 418
ASN A 122
 FE  A 501 ( 3.3A)
None
None
 1.01A 4bupB-5j55A:
undetectable		 4bupB-5j55A:
18.24
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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		3 HIS A 304
GLU A 426
ASN A 137
 FE2  A 502 (-3.8A)
None
None
 0.90A 4bupB-5kjaA:
undetectable		 4bupB-5kjaA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 HIS A 269
GLU A 212
ASN A 264
 None
 1.03A 4bupB-5ldfA:
0.3		 4bupB-5ldfA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		3 HIS B2359
GLU B2328
ASN B2635
 None
 1.01A 4bupB-5v4bB:
undetectable		 4bupB-5v4bB:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 3 HIS A 703
GLU A 639
ASN A 584
 None
 1.02A 4bupB-5vhaA:
0.4		 4bupB-5vhaA:
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.
5yqr ENDOLYSIN/MEMBRANE-A
NCHORED
LIPID-BINDING
PROTEIN LAM6 FUSION
PROTEIN

(Saccharomyces
cerevisiae;
Escherichia
virus T4) 		no annotation 3 HIS A1203
GLU A1268
ASN A1176
 None
 1.01A 4bupB-5yqrA:
undetectable		 4bupB-5yqrA:
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.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		no annotation 3 HIS A 212
GLU A 102
ASN A 167
 None
 0.90A 4bupB-6az6A:
undetectable		 4bupB-6az6A:
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 3 HIS A 280
GLU A  80
ASN A 159
 None
NAD  A 401 (-2.7A)
NAD  A 401 (-3.2A)
 0.86A 4bupB-6c5cA:
undetectable		 4bupB-6c5cA:
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 3 HIS G  74
GLU G  69
ASN G  50
 None
 1.00A 4bupB-6c66G:
1.2		 4bupB-6c66G:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 HIS A 267
GLU A 273
ASN A 713
 None
 1.04A 4bupB-6eonA:
0.5		 4bupB-6eonA:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 3 HIS A  87
GLU A  86
ASN A 375
 None
 1.02A 4bupB-6ercA:
undetectable		 4bupB-6ercA:
undetectable