SIMILAR PATTERNS OF AMINO ACIDS FOR 4BUP_B_SAMB500_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
Potential target for repurposing, i.e. matched protein structure has less than 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