SIMILAR PATTERNS OF AMINO ACIDS FOR 5D0X_H_BO2H301

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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 SER A 641
THR A 588
THR A 245
ALA A 244
ASP A 585
 None
 1.02A 5d0xH-1dedA:
undetectable
5d0xI-1dedA:
undetectable		 5d0xH-1dedA:
16.81
5d0xI-1dedA:
14.80
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF01012
(ETF) 		5 THR B 160
GLN B 168
ALA B 180
THR B 145
ALA B 144
 None
 1.01A 5d0xH-1efpB:
undetectable
5d0xI-1efpB:
undetectable		 5d0xH-1efpB:
23.76
5d0xI-1efpB:
20.53
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.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Thermotoga
maritima) 		PF00171
(Aldedh) 		5 THR A 371
THR A 254
CYH A 227
THR A 222
THR A 386
 None
 1.22A 5d0xH-1o20A:
undetectable
5d0xI-1o20A:
undetectable		 5d0xH-1o20A:
20.20
5d0xI-1o20A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
GLN H  22
LYS H  33
ALA H  49
 None
 0.86A 5d0xH-1q5qH:
24.1
5d0xI-1q5qH:
24.4		 5d0xH-1q5qH:
26.48
5d0xI-1q5qH:
26.64
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
THR H  21
LYS H  33
ALA H  46
THR H  48
ALA H  49
 None
 0.47A 5d0xH-1q5qH:
24.1
5d0xI-1q5qH:
24.4		 5d0xH-1q5qH:
26.48
5d0xI-1q5qH:
26.64
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.
1ska 3-PHYTASE A

(Aspergillus
fumigatus) 		PF00328
(His_Phos_2) 		5 THR A 106
ALA A 247
THR A 249
ALA A 252
THR A 245
 None
 1.32A 5d0xH-1skaA:
undetectable
5d0xI-1skaA:
undetectable		 5d0xH-1skaA:
18.65
5d0xI-1skaA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 7 THR H 301
SER H 320
THR H 321
GLN H 322
LYS H 333
ALA H 346
ALA H 349
 None
 0.92A 5d0xH-2fhgH:
23.5
5d0xI-2fhgH:
23.8		 5d0xH-2fhgH:
26.85
5d0xI-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 7 THR H 301
SER H 320
THR H 321
LYS H 333
ALA H 346
THR H 348
ALA H 349
 None
 0.51A 5d0xH-2fhgH:
23.5
5d0xI-2fhgH:
23.8		 5d0xH-2fhgH:
26.85
5d0xI-2fhgH:
23.05
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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 374
THR A 373
GLN A 372
THR A  21
ALA A  24
 None
 1.27A 5d0xH-2gskA:
undetectable
5d0xI-2gskA:
undetectable		 5d0xH-2gskA:
17.38
5d0xI-2gskA:
16.12
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 SER A 181
THR A 182
CYH A 228
ALA A 217
THR A 210
 None
 1.41A 5d0xH-2oryA:
undetectable
5d0xI-2oryA:
undetectable		 5d0xH-2oryA:
20.87
5d0xI-2oryA:
21.79
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 THR A 203
CYH A 234
ALA A 331
THR A 200
ALA A 220
 None
 1.47A 5d0xH-2p2sA:
undetectable
5d0xI-2p2sA:
undetectable		 5d0xH-2p2sA:
20.80
5d0xI-2p2sA:
22.12
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		5 THR B  64
THR B 135
GLN B 181
THR B  96
CYH A 225
 None
SRM  A 503 (-4.2A)
None
SRM  A 503 (-2.8A)
SF4  A 502 ( 2.2A)
 1.42A 5d0xH-2xsjB:
undetectable
5d0xI-2xsjB:
undetectable		 5d0xH-2xsjB:
21.48
5d0xI-2xsjB:
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 SER A 218
GLN A 214
ALA A 116
THR A  29
ALA A  32
 None
 1.47A 5d0xH-2z0jA:
undetectable
5d0xI-2z0jA:
undetectable		 5d0xH-2z0jA:
23.37
5d0xI-2z0jA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 THR A 138
ALA A 201
ALA A 134
THR A 130
ASP A 112
 None
 1.38A 5d0xH-2zu0A:
undetectable
5d0xI-2zu0A:
undetectable		 5d0xH-2zu0A:
20.14
5d0xI-2zu0A:
23.12
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.
3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES

(Caldanaerobacter
subterraneus) 		PF13669
(Glyoxalase_4) 		5 THR A  50
SER A  83
THR A  84
ALA A  61
THR A  42
 None
None
None
None
CIT  A 379 (-4.0A)
 1.39A 5d0xH-3gm5A:
undetectable
5d0xI-3gm5A:
undetectable		 5d0xH-3gm5A:
18.50
5d0xI-3gm5A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		5 THR A 393
ALA A  44
THR A  46
ALA A 370
CYH A 332
 None
 1.43A 5d0xH-3gycA:
undetectable
5d0xI-3gycA:
undetectable		 5d0xH-3gycA:
19.64
5d0xI-3gycA:
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 THR W 280
SER W  16
THR W  17
THR W 283
ASP W 231
 None
 1.48A 5d0xH-3iylW:
undetectable
5d0xI-3iylW:
undetectable		 5d0xH-3iylW:
11.27
5d0xI-3iylW:
9.85
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
LYS N  33
ALA N  49
THR N  52
 None
 0.57A 5d0xH-3mg6N:
27.9
5d0xI-3mg6N:
27.4		 5d0xH-3mg6N:
29.49
5d0xI-3mg6N:
23.00
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.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 THR A 341
GLN A 338
ALA A 109
ALA A 190
CYH A 130
 None
MLI  A 396 (-3.2A)
None
None
None
 1.43A 5d0xH-3ov3A:
undetectable
5d0xI-3ov3A:
undetectable		 5d0xH-3ov3A:
19.33
5d0xI-3ov3A:
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		5 SER A 119
THR A  73
GLN A  75
ALA A 108
THR A 168
 None
None
CL  A 362 (-4.3A)
None
None
 1.27A 5d0xH-3rf7A:
undetectable
5d0xI-3rf7A:
undetectable		 5d0xH-3rf7A:
21.18
5d0xI-3rf7A:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
THR H  21
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.71A 5d0xH-3unfH:
33.9
5d0xI-3unfH:
28.6		 5d0xH-3unfH:
46.78
5d0xI-3unfH:
23.83
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
THR L  21
LYS L  33
ALA L  46
ALA L  49
 None
 0.72A 5d0xH-3wxrL:
27.2
5d0xI-3wxrL:
25.2		 5d0xH-3wxrL:
29.29
5d0xI-3wxrL:
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A1561
SER A1543
THR A1542
ALA A1558
ALA A1548
 None
 1.16A 5d0xH-4c3hA:
undetectable
5d0xI-4c3hA:
undetectable		 5d0xH-4c3hA:
9.80
5d0xI-4c3hA:
8.62
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.
4k6c ACETOACETYL-COA
REDUCTASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 THR A   9
THR A 120
CYH A  68
ALA A  89
THR A 111
 None
 1.42A 5d0xH-4k6cA:
undetectable
5d0xI-4k6cA:
undetectable		 5d0xH-4k6cA:
22.65
5d0xI-4k6cA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.19A 5d0xH-4mifA:
undetectable
5d0xI-4mifA:
undetectable		 5d0xH-4mifA:
16.99
5d0xI-4mifA:
15.87
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.
4nlm LMO1340 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 THR A 137
SER A  92
THR A 115
ALA A 114
THR A 132
 None
 1.32A 5d0xH-4nlmA:
undetectable
5d0xI-4nlmA:
undetectable		 5d0xH-4nlmA:
19.11
5d0xI-4nlmA:
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		5 SER A 486
THR A 488
ALA A 393
ALA A 391
ASP A 381
 None
None
None
None
MG  A 901 (-2.5A)
 1.40A 5d0xH-4pmwA:
undetectable
5d0xI-4pmwA:
undetectable		 5d0xH-4pmwA:
15.85
5d0xI-4pmwA:
14.11
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
LYS K  33
ALA K  46
ALA K  49
 None
 0.53A 5d0xH-4qv9K:
27.5
5d0xI-4qv9K:
25.5		 5d0xH-4qv9K:
29.29
5d0xI-4qv9K:
27.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wlk YUIC

(Bacillus
subtilis) 		PF06725
(3D) 		5 THR A 137
ALA A 127
THR A 125
ALA A 150
THR A 112
 None
3QL  A 301 (-3.6A)
None
None
None
 1.44A 5d0xH-4wlkA:
undetectable
5d0xI-4wlkA:
undetectable		 5d0xH-4wlkA:
20.76
5d0xI-4wlkA:
23.47
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.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		5 CYH A 366
ALA A 369
ALA A 337
THR A 338
CYH A  42
 None
 1.47A 5d0xH-4ylaA:
undetectable
5d0xI-4ylaA:
undetectable		 5d0xH-4ylaA:
18.93
5d0xI-4ylaA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
SER H  20
THR H  21
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.56A 5d0xH-5fg9H:
36.8
5d0xI-5fg9H:
22.0		 5d0xH-5fg9H:
98.31
5d0xI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
SER H  20
THR H  21
GLN H  22
CYH H  31
ALA H  46
ALA H  49
THR H  52
 None
 0.93A 5d0xH-5fg9H:
36.8
5d0xI-5fg9H:
22.0		 5d0xH-5fg9H:
98.31
5d0xI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
THR H  21
CYH H  31
LYS H  33
ALA H  46
THR H  48
ALA H  49
THR H  52
 None
 0.25A 5d0xH-5fg9H:
36.8
5d0xI-5fg9H:
22.0		 5d0xH-5fg9H:
98.31
5d0xI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
THR H  21
GLN H  22
CYH H  31
ALA H  46
THR H  48
ALA H  49
THR H  52
 None
 0.86A 5d0xH-5fg9H:
36.8
5d0xI-5fg9H:
22.0		 5d0xH-5fg9H:
98.31
5d0xI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
LYS I  33
ALA I  46
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.17A 5d0xH-5fmgI:
28.7
5d0xI-5fmgI:
26.4		 5d0xH-5fmgI:
48.94
5d0xI-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
THR I  21
ALA I  46
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
None
None
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.92A 5d0xH-5fmgI:
28.7
5d0xI-5fmgI:
26.4		 5d0xH-5fmgI:
48.94
5d0xI-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
THR I  21
CYH I  31
ALA I  46
ALA I  49
 7F1  I 300 (-2.7A)
None
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.5A)
 0.81A 5d0xH-5fmgI:
28.7
5d0xI-5fmgI:
26.4		 5d0xH-5fmgI:
48.94
5d0xI-5fmgI:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gpd STEROL REGULATORY
ELEMENT-BINDING
PROTEIN 1

(Schizosaccharomyces
pombe) 		PF09427
(DUF2014) 		5 SER A 795
THR A 792
THR A 836
ALA A 837
THR A 840
 None
 1.37A 5d0xH-5gpdA:
undetectable
5d0xI-5gpdA:
undetectable		 5d0xH-5gpdA:
22.14
5d0xI-5gpdA:
19.51
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.
5h3l METHYLGLYOXAL
SYNTHASE

(synthetic
construct) 		PF02142
(MGS) 		5 GLN A  77
ALA A  18
THR A  45
ALA A  44
THR A  48
 None
CME  A  22 ( 3.9A)
None
None
None
 1.50A 5d0xH-5h3lA:
undetectable
5d0xI-5h3lA:
undetectable		 5d0xH-5h3lA:
19.23
5d0xI-5h3lA:
23.79
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA
CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli) 		PF09481
(CRISPR_Cse1)
PF09704
(Cas_Cas5d) 		5 THR J 106
GLN J 105
ALA A 128
THR A 125
ALA A 124
 None
 1.05A 5d0xH-5h9fJ:
undetectable
5d0xI-5h9fJ:
undetectable		 5d0xH-5h9fJ:
21.09
5d0xI-5h9fJ:
20.92
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		5 THR C 217
CYH C 237
ALA C 222
ALA C 168
THR C 153
 None
 1.22A 5d0xH-5k1cC:
undetectable
5d0xI-5k1cC:
undetectable		 5d0xH-5k1cC:
16.70
5d0xI-5k1cC:
17.61
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 5 GLN B 140
CYH A 291
THR A 242
ALA A 239
THR A 237
 None
None
MGD  A2002 (-3.0A)
None
MGD  A2002 (-4.4A)
 1.39A 5d0xH-5nqdB:
undetectable
5d0xI-5nqdB:
undetectable		 5d0xH-5nqdB:
16.59
5d0xI-5nqdB:
17.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR O   1
CYH O  31
LYS O  33
ALA O  46
THR O  48
ALA O  49
THR O  52
 None
 1.02A 5d0xH-5t0hO:
28.9
5d0xI-5t0hO:
26.2		 5d0xH-5t0hO:
56.17
5d0xI-5t0hO:
20.94
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 5 THR A 475
THR A 485
CYH A 310
ALA A 462
ALA A 492
 None
FAD  A 604 (-3.5A)
None
None
None
 1.27A 5d0xH-5z2gA:
undetectable
5d0xI-5z2gA:
undetectable		 5d0xH-5z2gA:
15.09
5d0xI-5z2gA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
THR B  21
CYH B  31
LYS B  33
ALA B  46
ALA B  49
 None
 0.93A 5d0xH-6avoB:
21.9
5d0xI-6avoB:
17.8		 5d0xH-6avoB:
43.40
5d0xI-6avoB:
19.10
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.
6c8v COENZYME PQQ
SYNTHESIS PROTEIN E

(Methylobacterium
extorquens) 		no annotation 5 THR A 193
CYH A 323
ALA A 270
THR A 273
CYH A 268
 None
FES  A 501 (-2.7A)
FES  A 501 ( 4.5A)
None
FES  A 501 (-2.6A)
 1.28A 5d0xH-6c8vA:
undetectable
5d0xI-6c8vA:
undetectable		 5d0xH-6c8vA:
13.79
5d0xI-6c8vA:
14.63
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 5 THR X  77
CYH X  47
ALA X  73
ALA X  71
CYH X  69
 None
SF4  X 701 (-2.3A)
None
SF4  X 701 ( 4.2A)
SF4  X 701 (-2.2A)
 1.08A 5d0xH-6elqX:
undetectable
5d0xI-6elqX:
undetectable		 5d0xH-6elqX:
15.95
5d0xI-6elqX:
16.59