SIMILAR PATTERNS OF AMINO ACIDS FOR 3MG0_H_BO2H1400_1

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.
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
 1.11A 3mg0H-1efpB:
0.0
3mg0I-1efpB:
0.0		 3mg0H-1efpB:
25.09
3mg0I-1efpB:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE

(Bacillus
subtilis) 		PF01648
(ACPS) 		5 THR A  10
GLN A 113
ALA A  51
GLY A  52
ALA A  56
 None
 1.19A 3mg0H-1f80A:
0.0
3mg0I-1f80A:
undetectable		 3mg0H-1f80A:
19.20
3mg0I-1f80A:
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.
1fmm ACIDIC FIBROBLAST
GROWTH FACTOR

(Notophthalmus
viridescens) 		PF00167
(FGF) 		5 THR S 115
GLN S  64
ALA S 121
GLY S 102
THR S 109
 None
 1.16A 3mg0H-1fmmS:
undetectable
3mg0I-1fmmS:
undetectable		 3mg0H-1fmmS:
18.42
3mg0I-1fmmS:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 THR A 117
GLN A 122
ALA A  44
GLY A  19
ALA A 198
 None
 1.18A 3mg0H-1hpgA:
undetectable
3mg0I-1hpgA:
undetectable		 3mg0H-1hpgA:
18.47
3mg0I-1hpgA:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
LYS H  33
ALA H  46
GLY H  47
ALA H  52
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
None
 1.31A 3mg0H-1j2qH:
29.7
3mg0I-1j2qH:
28.1		 3mg0H-1j2qH:
32.00
3mg0I-1j2qH:
26.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
 0.28A 3mg0H-1j2qH:
29.7
3mg0I-1j2qH:
28.1		 3mg0H-1j2qH:
32.00
3mg0I-1j2qH:
26.89
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.
1m4y ATP-DEPENDENT
PROTEASE HSLV

(Thermotoga
maritima) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
GLY A  48
 None
 0.86A 3mg0H-1m4yA:
21.0
3mg0I-1m4yA:
18.9		 3mg0H-1m4yA:
21.79
3mg0I-1m4yA:
24.26
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 THR B 258
GLN B 261
ALA B 250
GLY B 251
ALA B 253
 None
 1.13A 3mg0H-1mhyB:
0.0
3mg0I-1mhyB:
0.0		 3mg0H-1mhyB:
20.16
3mg0I-1mhyB:
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		5 THR A 298
ALA A 256
GLY A 120
THR A 119
ALA A 262
 None
 1.35A 3mg0H-1n0wA:
undetectable
3mg0I-1n0wA:
0.0		 3mg0H-1n0wA:
24.81
3mg0I-1n0wA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 THR Q 376
GLN Q 373
ALA Q 107
GLY Q 106
ALA Q 101
 None
 1.24A 3mg0H-1oh2Q:
0.8
3mg0I-1oh2Q:
0.0		 3mg0H-1oh2Q:
22.31
3mg0I-1oh2Q:
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		8 THR H   1
THR H  21
GLN H  22
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.54A 3mg0H-1q5qH:
25.7
3mg0I-1q5qH:
24.6		 3mg0H-1q5qH:
25.78
3mg0I-1q5qH:
26.75
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
GLN H  22
GLY H  47
THR H  48
 None
 1.03A 3mg0H-1q5rH:
23.8
3mg0I-1q5rH:
20.4		 3mg0H-1q5rH:
27.16
3mg0I-1q5rH:
24.64
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H  21
GLN H  22
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.37A 3mg0H-1q5rH:
23.8
3mg0I-1q5rH:
20.4		 3mg0H-1q5rH:
27.16
3mg0I-1q5rH:
24.64
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		5 THR A 561
GLY A 553
THR A 554
ALA A 555
CYH A 719
 None
 1.20A 3mg0H-1sj8A:
undetectable
3mg0I-1sj8A:
undetectable		 3mg0H-1sj8A:
22.29
3mg0I-1sj8A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 THR A  83
ALA A  81
GLY A  91
THR A  92
ALA A  93
 None
 1.26A 3mg0H-1thmA:
undetectable
3mg0I-1thmA:
undetectable		 3mg0H-1thmA:
23.13
3mg0I-1thmA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 SER A  65
ALA A 175
GLY A 176
ALA A  60
ASP A  85
 None
 1.22A 3mg0H-1ukrA:
undetectable
3mg0I-1ukrA:
undetectable		 3mg0H-1ukrA:
19.74
3mg0I-1ukrA:
20.72
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.
1uxi MALATE DEHYDROGENASE

(Chloroflexus
aurantiacus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A   6
THR A  68
GLY A  61
THR A  60
ASP A  28
 None
 1.24A 3mg0H-1uxiA:
undetectable
3mg0I-1uxiA:
undetectable		 3mg0H-1uxiA:
21.97
3mg0I-1uxiA:
22.26
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.
1x5q LAP4 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLN A  24
ALA A  93
GLY A  94
THR A  95
ALA A  96
 None
 1.26A 3mg0H-1x5qA:
undetectable
3mg0I-1x5qA:
undetectable		 3mg0H-1x5qA:
18.87
3mg0I-1x5qA:
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.
1yoa PUTATIVE
FLAVOPROTEIN

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		5 THR A  86
GLN A  80
ALA A  30
GLY A  31
THR A  32
 FAD  A 401 (-4.5A)
None
None
FAD  A 401 (-3.5A)
None
 1.14A 3mg0H-1yoaA:
undetectable
3mg0I-1yoaA:
undetectable		 3mg0H-1yoaA:
22.27
3mg0I-1yoaA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
LYS H 333
ALA H 346
GLY H 347
ALA H 352
 None
 1.14A 3mg0H-2fhgH:
25.0
3mg0I-2fhgH:
24.0		 3mg0H-2fhgH:
27.78
3mg0I-2fhgH:
23.14
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 9 THR H 301
SER H 320
THR H 321
GLN H 322
LYS H 333
ALA H 346
GLY H 347
THR H 348
ALA H 349
 None
 0.59A 3mg0H-2fhgH:
25.0
3mg0I-2fhgH:
24.0		 3mg0H-2fhgH:
27.78
3mg0I-2fhgH:
23.14
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.
2g8g CAPSID

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 SER A 441
THR A 442
ALA A 450
GLY A 451
THR A 452
 None
 1.23A 3mg0H-2g8gA:
undetectable
3mg0I-2g8gA:
undetectable		 3mg0H-2g8gA:
17.84
3mg0I-2g8gA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 3mg0H-2gskA:
undetectable
3mg0I-2gskA:
undetectable		 3mg0H-2gskA:
17.03
3mg0I-2gskA:
16.30
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A  55
THR A  57
ALA A 212
GLY A  30
ALA A  26
 FAD  A1001 (-2.7A)
FAD  A1001 (-3.2A)
None
None
FAD  A1001 (-3.8A)
 1.35A 3mg0H-2h88A:
undetectable
3mg0I-2h88A:
undetectable		 3mg0H-2h88A:
17.90
3mg0I-2h88A:
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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 THR A 216
ALA A 224
GLY A 223
THR A 222
ASP A 201
 None
 1.35A 3mg0H-2h8oA:
undetectable
3mg0I-2h8oA:
undetectable		 3mg0H-2h8oA:
21.19
3mg0I-2h8oA:
21.64
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		5 THR A 350
GLN A 129
GLY A 103
THR A 102
ASP A 312
 None
 1.35A 3mg0H-2hufA:
undetectable
3mg0I-2hufA:
undetectable		 3mg0H-2hufA:
21.61
3mg0I-2hufA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		5 SER A 148
THR A  94
ALA A  60
GLY A  59
ALA A  57
 None
 1.06A 3mg0H-2o14A:
undetectable
3mg0I-2o14A:
undetectable		 3mg0H-2o14A:
22.52
3mg0I-2o14A:
18.83
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.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
graminearum) 		PF02458
(Transferase) 		5 GLN A 211
ALA A 218
GLY A 219
ALA A 369
CYH A 290
 None
 1.17A 3mg0H-2rkvA:
undetectable
3mg0I-2rkvA:
undetectable		 3mg0H-2rkvA:
19.78
3mg0I-2rkvA:
18.63
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.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 ALA A  99
GLY A  98
THR A  97
ALA A  96
ASP A 121
 None
 1.24A 3mg0H-2vmjA:
undetectable
3mg0I-2vmjA:
undetectable		 3mg0H-2vmjA:
21.99
3mg0I-2vmjA:
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 THR B 158
GLN B 214
GLY B 154
THR B 155
ALA B 150
 None
 1.03A 3mg0H-2xdqB:
undetectable
3mg0I-2xdqB:
undetectable		 3mg0H-2xdqB:
18.46
3mg0I-2xdqB:
17.42
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 THR A  82
THR A 132
GLN A 131
GLY A 117
ALA C  71
 EPE  A1298 (-2.7A)
None
GOL  D1532 (-2.7A)
EPE  A1298 (-4.5A)
None
 1.29A 3mg0H-2ynmA:
undetectable
3mg0I-2ynmA:
undetectable		 3mg0H-2ynmA:
22.19
3mg0I-2ynmA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 THR C  44
ALA C  11
GLY C  10
THR C   8
ALA C  32
 None
NAD  C4300 ( 4.0A)
None
None
None
 1.26A 3mg0H-3a28C:
undetectable
3mg0I-3a28C:
undetectable		 3mg0H-3a28C:
22.02
3mg0I-3a28C:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 SER A  84
THR A  82
ALA A  67
GLY A  68
ALA A  41
 None
 1.32A 3mg0H-3actA:
undetectable
3mg0I-3actA:
undetectable		 3mg0H-3actA:
12.96
3mg0I-3actA:
14.38
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.
3alr NANOS PROTEIN

(Danio rerio) 		PF05741
(zf-nanos) 		5 ALA A 135
GLY A 134
THR A 133
ALA A 132
CYH A 130
 None
None
None
ZN  A 602 ( 4.7A)
ZN  A 602 (-2.3A)
 1.12A 3mg0H-3alrA:
undetectable
3mg0I-3alrA:
undetectable		 3mg0H-3alrA:
19.72
3mg0I-3alrA:
17.07
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A1074
ALA A1081
GLY A1108
ALA A1104
ASP A1100
 ADP  A1502 (-3.5A)
None
None
None
ADP  A1502 (-4.0A)
 1.35A 3mg0H-3cmuA:
undetectable
3mg0I-3cmuA:
undetectable		 3mg0H-3cmuA:
8.39
3mg0I-3cmuA:
7.15
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A2074
ALA A2081
GLY A2108
ALA A2104
ASP A2100
 ADP  A2502 (-3.9A)
None
None
None
ADP  A2502 (-4.2A)
 1.35A 3mg0H-3cmuA:
undetectable
3mg0I-3cmuA:
undetectable		 3mg0H-3cmuA:
8.39
3mg0I-3cmuA:
7.15
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3074
ALA A3081
GLY A3108
ALA A3104
ASP A3100
 ADP  A3502 (-3.7A)
None
None
None
ADP  A3502 (-4.4A)
 1.35A 3mg0H-3cmuA:
undetectable
3mg0I-3cmuA:
undetectable		 3mg0H-3cmuA:
8.39
3mg0I-3cmuA:
7.15
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A5074
ALA A5081
GLY A5108
ALA A5104
ASP A5100
 ADP  A5502 (-3.9A)
None
None
None
ADP  A5502 (-3.8A)
 1.36A 3mg0H-3cmuA:
undetectable
3mg0I-3cmuA:
undetectable		 3mg0H-3cmuA:
8.39
3mg0I-3cmuA:
7.15
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.
3csg MALTOSE-BINDING
PROTEIN MONOBODY YS1
FUSION

(Escherichia
coli) 		PF00041
(fn3)
PF13416
(SBP_bac_8) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.12A 3mg0H-3csgA:
undetectable
3mg0I-3csgA:
undetectable		 3mg0H-3csgA:
18.61
3mg0I-3csgA:
19.36
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 THR A  92
SER A 127
GLN A   6
ALA A  37
GLY A  33
 None
 1.14A 3mg0H-3en0A:
undetectable
3mg0I-3en0A:
undetectable		 3mg0H-3en0A:
23.38
3mg0I-3en0A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 THR A 176
GLN A 164
GLY A 231
THR A 228
ALA A 227
 None
 1.31A 3mg0H-3eqaA:
undetectable
3mg0I-3eqaA:
undetectable		 3mg0H-3eqaA:
20.00
3mg0I-3eqaA:
19.31
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.
3flu DIHYDRODIPICOLINATE
SYNTHASE

(Neisseria
meningitidis) 		PF00701
(DHDPS) 		5 SER A  48
THR A  44
ALA A  79
GLY A  78
THR A  77
 GOL  A 298 (-2.9A)
SO4  A 294 (-3.6A)
None
GOL  A 298 ( 4.1A)
None
 1.33A 3mg0H-3fluA:
undetectable
3mg0I-3fluA:
undetectable		 3mg0H-3fluA:
22.22
3mg0I-3fluA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4s 50S RIBOSOMAL
PROTEIN L7AE

(Haloarcula
marismortui) 		PF01248
(Ribosomal_L7Ae) 		5 THR F  99
ALA F  28
GLY F  27
THR F  26
ALA F  23
 None
 1.14A 3mg0H-3g4sF:
undetectable
3mg0I-3g4sF:
undetectable		 3mg0H-3g4sF:
24.35
3mg0I-3g4sF:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
 None
 0.26A 3mg0H-3jtlH:
28.7
3mg0I-3jtlH:
27.5		 3mg0H-3jtlH:
32.30
3mg0I-3jtlH:
25.93
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.
3knz PUTATIVE SUGAR
BINDING PROTEIN

(Salmonella
enterica) 		PF01380
(SIS) 		5 THR A  27
GLN A  24
ALA A 158
GLY A 159
ALA A 156
 None
 1.21A 3mg0H-3knzA:
undetectable
3mg0I-3knzA:
undetectable		 3mg0H-3knzA:
20.40
3mg0I-3knzA:
19.79
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 SER A 101
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 0.87A 3mg0H-3ktdA:
undetectable
3mg0I-3ktdA:
undetectable		 3mg0H-3ktdA:
21.78
3mg0I-3ktdA:
21.73
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 SER A 277
ALA A 109
GLY A 308
THR A 307
ASP A 260
 None
 1.29A 3mg0H-3lm6A:
undetectable
3mg0I-3lm6A:
undetectable		 3mg0H-3lm6A:
22.35
3mg0I-3lm6A:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
LYS N  33
GLY N  47
ALA N  49
 None
 0.59A 3mg0H-3mg6N:
29.4
3mg0I-3mg6N:
27.6		 3mg0H-3mg6N:
31.05
3mg0I-3mg6N:
23.11
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.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16716
(BST2) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.21A 3mg0H-3mq9A:
undetectable
3mg0I-3mq9A:
undetectable		 3mg0H-3mq9A:
21.35
3mg0I-3mq9A:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 THR A 115
ALA A 285
GLY A 108
THR A 109
ALA A 110
 None
 1.12A 3mg0H-3ogzA:
undetectable
3mg0I-3ogzA:
undetectable		 3mg0H-3ogzA:
16.56
3mg0I-3ogzA:
16.43
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.16A 3mg0H-3osrA:
undetectable
3mg0I-3osrA:
undetectable		 3mg0H-3osrA:
16.52
3mg0I-3osrA:
15.35
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.
3puo DIHYDRODIPICOLINATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		5 SER A  48
THR A  44
ALA A  79
GLY A  78
THR A  77
 None
 1.32A 3mg0H-3puoA:
undetectable
3mg0I-3puoA:
undetectable		 3mg0H-3puoA:
23.15
3mg0I-3puoA:
22.26
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 THR A 134
ALA A 402
GLY A 401
THR A 195
ALA A 205
 None
 1.15A 3mg0H-3qfhA:
undetectable
3mg0I-3qfhA:
undetectable		 3mg0H-3qfhA:
19.28
3mg0I-3qfhA:
17.70
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 THR X 134
GLN X 133
ALA X 164
GLY X 170
THR X 169
 None
 1.14A 3mg0H-3rwkX:
undetectable
3mg0I-3rwkX:
undetectable		 3mg0H-3rwkX:
18.84
3mg0I-3rwkX:
18.78
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) 		6 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.51A 3mg0H-3unfH:
35.7
3mg0I-3unfH:
28.6		 3mg0H-3unfH:
45.92
3mg0I-3unfH:
23.92
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 THR A 131
ALA A 149
GLY A 150
THR A 151
ASP A 153
 None
 1.14A 3mg0H-3v76A:
undetectable
3mg0I-3v76A:
undetectable		 3mg0H-3v76A:
19.76
3mg0I-3v76A:
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.40A 3mg0H-3wxrL:
28.8
3mg0I-3wxrL:
25.4		 3mg0H-3wxrL:
29.57
3mg0I-3wxrL:
22.26
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.
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
 1.14A 3mg0H-4c3hA:
undetectable
3mg0I-4c3hA:
undetectable		 3mg0H-4c3hA:
9.77
3mg0I-4c3hA:
8.44
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 THR A 350
ALA A 311
GLY A 358
THR A 356
ALA A 355
 None
 1.26A 3mg0H-4dzhA:
undetectable
3mg0I-4dzhA:
undetectable		 3mg0H-4dzhA:
18.24
3mg0I-4dzhA:
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.
4egc MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HOMEOBOX PROTEIN
SIX1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		PF00046
(Homeobox)
PF13416
(SBP_bac_8)
PF16878
(SIX1_SD) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.27A 3mg0H-4egcA:
undetectable
3mg0I-4egcA:
undetectable		 3mg0H-4egcA:
19.01
3mg0I-4egcA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
GLY A  48
 None
 0.70A 3mg0H-4g4eA:
21.8
3mg0I-4g4eA:
19.7		 3mg0H-4g4eA:
31.46
3mg0I-4g4eA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		5 GLN A  50
ALA A 270
GLY A  55
THR A  54
ALA A  53
 None
 1.17A 3mg0H-4gizA:
undetectable
3mg0I-4gizA:
undetectable		 3mg0H-4gizA:
21.15
3mg0I-4gizA:
19.74
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLN A 320
ALA A 108
GLY A 107
ALA A 105
ASP A 324
 None
 1.16A 3mg0H-4hkmA:
undetectable
3mg0I-4hkmA:
undetectable		 3mg0H-4hkmA:
20.81
3mg0I-4hkmA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  34
ALA A  47
GLY A  48
 None
 0.66A 3mg0H-4ho7A:
21.1
3mg0I-4ho7A:
19.9		 3mg0H-4ho7A:
22.92
3mg0I-4ho7A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ius GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		5 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.97A 3mg0H-4iusA:
undetectable
3mg0I-4iusA:
undetectable		 3mg0H-4iusA:
20.36
3mg0I-4iusA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		5 SER A 321
THR A 281
GLN A 282
ALA A 315
GLY A 318
 None
 1.10A 3mg0H-4lerA:
undetectable
3mg0I-4lerA:
undetectable		 3mg0H-4lerA:
21.32
3mg0I-4lerA:
18.20
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 SER A 223
ALA A 265
GLY A 285
THR A 286
ALA A 283
 None
 1.15A 3mg0H-4m1rA:
undetectable
3mg0I-4m1rA:
undetectable		 3mg0H-4m1rA:
22.83
3mg0I-4m1rA:
21.38
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 SER A 273
THR A 275
GLY A 177
THR A 236
ASP A 301
 None
None
None
PQQ  A 602 (-3.1A)
CE  A 601 ( 2.3A)
 1.32A 3mg0H-4maeA:
undetectable
3mg0I-4maeA:
undetectable		 3mg0H-4maeA:
15.77
3mg0I-4maeA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pt2 ENCAPSULIN PROTEIN

(Myxococcus
xanthus) 		no annotation 5 THR P  23
GLN P  26
ALA P 113
GLY P 116
ALA P 118
 None
 1.33A 3mg0H-4pt2P:
undetectable
3mg0I-4pt2P:
undetectable		 3mg0H-4pt2P:
22.71
3mg0I-4pt2P:
22.61
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 466
ALA A 439
GLY A 440
THR A 441
ASP A 622
 None
 1.21A 3mg0H-4qmeA:
undetectable
3mg0I-4qmeA:
2.2		 3mg0H-4qmeA:
13.31
3mg0I-4qmeA:
12.69
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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		5 GLN A-322
ALA A-102
GLY A-317
THR A-318
ALA A-319
 None
 1.14A 3mg0H-4qszA:
undetectable
3mg0I-4qszA:
undetectable		 3mg0H-4qszA:
15.03
3mg0I-4qszA:
14.97
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.50A 3mg0H-4qv9K:
29.2
3mg0I-4qv9K:
25.6		 3mg0H-4qv9K:
29.57
3mg0I-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.
4r0y MALTOSE-BINDING
PERIPLASMIC PROTEIN,
DISKS
LARGE-ASSOCIATED
PROTEIN 1

(Escherichia
coli;
Rattus
norvegicus) 		PF03359
(GKAP)
PF13416
(SBP_bac_8) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.17A 3mg0H-4r0yA:
undetectable
3mg0I-4r0yA:
undetectable		 3mg0H-4r0yA:
21.98
3mg0I-4r0yA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		5 THR A 152
THR A  95
ALA A 145
GLY A 101
THR A 100
 None
None
CL  A 608 ( 3.9A)
None
None
 1.33A 3mg0H-5cxpA:
undetectable
3mg0I-5cxpA:
undetectable		 3mg0H-5cxpA:
20.88
3mg0I-5cxpA:
18.02
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 277
ALA A 369
GLY A 370
ASP A  99
CYH A  95
 None
None
ADP  A 501 (-3.3A)
None
None
 1.30A 3mg0H-5dmhA:
undetectable
3mg0I-5dmhA:
undetectable		 3mg0H-5dmhA:
20.58
3mg0I-5dmhA:
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.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		5 GLN A 258
ALA A 189
GLY A 230
THR A 233
ALA A 232
 None
 1.30A 3mg0H-5ewqA:
undetectable
3mg0I-5ewqA:
undetectable		 3mg0H-5ewqA:
19.11
3mg0I-5ewqA:
17.86
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) 		7 THR H   1
SER H  20
THR H  21
GLN H  22
LYS H  33
ALA H  46
ALA H  49
 None
 0.76A 3mg0H-5fg9H:
35.2
3mg0I-5fg9H:
22.1		 3mg0H-5fg9H:
98.23
3mg0I-5fg9H:
23.72
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
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.60A 3mg0H-5fg9H:
35.2
3mg0I-5fg9H:
22.1		 3mg0H-5fg9H:
98.23
3mg0I-5fg9H:
23.72
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 LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.06A 3mg0H-5fmgI:
30.2
3mg0I-5fmgI:
26.4		 3mg0H-5fmgI:
48.70
3mg0I-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) 		6 THR I   1
THR I  21
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
None
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.90A 3mg0H-5fmgI:
30.2
3mg0I-5fmgI:
26.4		 3mg0H-5fmgI:
48.70
3mg0I-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.
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
 0.87A 3mg0H-5h9fJ:
undetectable
3mg0I-5h9fJ:
undetectable		 3mg0H-5h9fJ:
19.50
3mg0I-5h9fJ:
20.50
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.
5iic MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		5 GLN A4018
ALA A4238
GLY A4023
THR A4022
ALA A4021
 None
 1.15A 3mg0H-5iicA:
undetectable
3mg0I-5iicA:
undetectable		 3mg0H-5iicA:
21.34
3mg0I-5iicA:
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.
5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE

(Escherichia
coli;
Homo sapiens) 		no annotation 5 GLN C  49
ALA C 269
GLY C  54
THR C  53
ALA C  52
 None
 1.14A 3mg0H-5jj4C:
undetectable
3mg0I-5jj4C:
undetectable		 3mg0H-5jj4C:
20.63
3mg0I-5jj4C:
17.44
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.40A 3mg0H-5l5wK:
29.1
3mg0I-5l5wK:
25.3		 3mg0H-5l5wK:
29.91
3mg0I-5l5wK:
23.87
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
LYS K  33
GLY K  47
ALA K  49
 None
 0.71A 3mg0H-5l5wK:
29.1
3mg0I-5l5wK:
25.3		 3mg0H-5l5wK:
29.91
3mg0I-5l5wK:
23.87
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.
5lcn UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF12146
(Hydrolase_4) 		5 LYS A 186
ALA A 182
GLY A 181
THR A 180
ASP A 233
 None
 1.29A 3mg0H-5lcnA:
undetectable
3mg0I-5lcnA:
undetectable		 3mg0H-5lcnA:
20.73
3mg0I-5lcnA:
21.91
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.
5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 THR A 192
GLN A 199
GLY A 207
ALA A 204
ASP A 200
 None
 1.27A 3mg0H-5lirA:
undetectable
3mg0I-5lirA:
undetectable		 3mg0H-5lirA:
21.92
3mg0I-5lirA:
24.30
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.
5ool 39S RIBOSOMAL
PROTEIN L46,
MITOCHONDRIAL

(Homo sapiens) 		PF00297
(Ribosomal_L3) 		5 THR e 191
GLN e 179
ALA e 188
GLY e 186
THR e 183
 None
 1.34A 3mg0H-5oole:
undetectable
3mg0I-5oole:
undetectable		 3mg0H-5oole:
21.59
3mg0I-5oole:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.84A 3mg0H-5t0gR:
26.8
3mg0I-5t0gR:
24.1		 3mg0H-5t0gR:
27.68
3mg0I-5t0gR:
23.42
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) 		6 THR O   1
LYS O  33
ALA O  46
GLY O  47
THR O  48
ALA O  49
 None
 0.82A 3mg0H-5t0hO:
28.6
3mg0I-5t0hO:
26.2		 3mg0H-5t0hO:
55.79
3mg0I-5t0hO:
20.94
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) 		5 THR O  55
GLN O  57
ALA O  46
GLY O  45
ALA O  49
 None
 1.17A 3mg0H-5t0hO:
28.6
3mg0I-5t0hO:
26.2		 3mg0H-5t0hO:
55.79
3mg0I-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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		5 SER A 196
ALA A 215
GLY A 205
THR A 206
ALA A 207
 None
 1.18A 3mg0H-5tvgA:
undetectable
3mg0I-5tvgA:
undetectable		 3mg0H-5tvgA:
22.01
3mg0I-5tvgA:
17.33
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 THR A 673
ALA A 670
GLY A 669
THR A 668
ALA A 688
 NAD  A2002 (-2.9A)
NAD  A2002 (-3.5A)
NAD  A2002 (-3.3A)
None
None
 1.15A 3mg0H-5ux5A:
undetectable
3mg0I-5ux5A:
undetectable		 3mg0H-5ux5A:
13.16
3mg0I-5ux5A:
10.31
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
THR R  21
LYS R  33
GLY R  47
ALA R  49
 None
 0.69A 3mg0H-5vfrR:
27.5
3mg0I-5vfrR:
24.9		 3mg0H-5vfrR:
undetectable
3mg0I-5vfrR:
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 THR A 342
ALA A  33
GLY A 364
THR A 365
ALA A 367
 None
 1.35A 3mg0H-5vmbA:
undetectable
3mg0I-5vmbA:
undetectable		 3mg0H-5vmbA:
20.72
3mg0I-5vmbA:
21.76
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.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 GLN A  50
ALA A 270
GLY A  55
THR A  54
ALA A  53
 None
 1.19A 3mg0H-5wq6A:
undetectable
3mg0I-5wq6A:
undetectable		 3mg0H-5wq6A:
20.54
3mg0I-5wq6A:
17.12
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.
5wvm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TWO-COMPONEN
T SYSTEM SENSOR
KINASE

(Escherichia
coli;
Serratia
marcescens) 		no annotation 5 GLN A  51
ALA A 271
GLY A  56
THR A  55
ALA A  54
 None
 1.07A 3mg0H-5wvmA:
undetectable
3mg0I-5wvmA:
undetectable		 3mg0H-5wvmA:
20.86
3mg0I-5wvmA:
20.10
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
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.72A 3mg0H-6avoB:
22.2
3mg0I-6avoB:
15.9		 3mg0H-6avoB:
43.40
3mg0I-6avoB:
19.19
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.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 5 THR A  36
GLN A  49
GLY A  41
THR A  53
ALA A  43
 SO4  A 401 (-4.3A)
None
None
None
None
 1.35A 3mg0H-6bacA:
undetectable
3mg0I-6bacA:
undetectable		 3mg0H-6bacA:
21.73
3mg0I-6bacA:
20.22
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 THR A 176
GLN A 164
GLY A 231
THR A 228
ALA A 227
 None
 1.31A 3mg0H-6frvA:
undetectable
3mg0I-6frvA:
undetectable		 3mg0H-6frvA:
15.98
3mg0I-6frvA:
20.33