SIMILAR PATTERNS OF AMINO ACIDS FOR 3MG0_Y_BO2Y1403_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.
1ee6 PECTATE LYASE

(Bacillus sp.
KSM-P15) 		PF03211
(Pectate_lyase) 		5 ALA A 101
ALA A 124
ALA A  61
GLY A  82
ALA A  85
 None
None
None
CA  A 300 ( 4.5A)
None
 0.85A 3mg0Y-1ee6A:
0.0
3mg0Z-1ee6A:
undetectable		 3mg0Y-1ee6A:
22.13
3mg0Z-1ee6A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 RTL  A 176 ( 3.8A)
None
RTL  A 176 ( 3.8A)
RTL  A 176 ( 4.1A)
None
 0.87A 3mg0Y-1iiuA:
0.9
3mg0Z-1iiuA:
0.0		 3mg0Y-1iiuA:
18.47
3mg0Z-1iiuA:
21.94
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) 		8 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
ALA H  46
GLY H  47
SER H 129
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
CIB  H1001 ( 4.8A)
 0.31A 3mg0Y-1j2qH:
16.6
3mg0Z-1j2qH:
24.4		 3mg0Y-1j2qH:
30.37
3mg0Z-1j2qH:
26.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 3mg0Y-1m4yA:
10.2
3mg0Z-1m4yA:
6.1		 3mg0Y-1m4yA:
25.00
3mg0Z-1m4yA:
25.11
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.
1m4y ATP-DEPENDENT
PROTEASE HSLV

(Thermotoga
maritima) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
SER A 124
 None
 0.43A 3mg0Y-1m4yA:
10.2
3mg0Z-1m4yA:
6.1		 3mg0Y-1m4yA:
25.00
3mg0Z-1m4yA:
25.11
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.
1ofi ATP-DEPENDENT
PROTEASE HSLV

(Haemophilus
influenzae) 		PF00227
(Proteasome) 		5 THR G   1
LYS G  33
ALA G  47
GLY G  48
SER G 125
 LVS  G   0 (-2.3A)
LVS  G   0 (-3.6A)
LVS  G   0 (-4.9A)
LVS  G   0 (-3.4A)
LVS  G   0 (-3.7A)
 0.43A 3mg0Y-1ofiG:
20.3
3mg0Z-1ofiG:
18.5		 3mg0Y-1ofiG:
25.23
3mg0Z-1ofiG:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		6 ALA A  54
THR A  53
ALA A 101
ALA A  55
GLY A 208
ALA A 226
 None
 1.29A 3mg0Y-1pq5A:
undetectable
3mg0Z-1pq5A:
0.0		 3mg0Y-1pq5A:
22.40
3mg0Z-1pq5A:
22.22
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		10 THR H   1
ALA H  20
THR H  21
ALA H  27
VAL H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
SER H 141
 None
 0.39A 3mg0Y-1q5qH:
14.9
3mg0Z-1q5qH:
22.4		 3mg0Y-1q5qH:
27.92
3mg0Z-1q5qH:
24.50
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		8 ALA H  20
THR H  21
ALA H  27
VAL H  31
ALA H  46
GLY H  47
ALA H  49
SER H 141
 None
 0.53A 3mg0Y-1q5rH:
13.4
3mg0Z-1q5rH:
22.2		 3mg0Y-1q5rH:
27.59
3mg0Z-1q5rH:
22.70
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		6 ALA A  21
THR A  24
ALA A  23
ALA A  20
VAL A  33
GLY A 172
 None
 1.37A 3mg0Y-1qlbA:
0.0
3mg0Z-1qlbA:
0.0		 3mg0Y-1qlbA:
15.90
3mg0Z-1qlbA:
16.49
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.
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF03861
(ANTAR) 		6 ALA A  77
ALA A  76
VAL A  90
ALA A 108
GLY A 107
ALA A 103
 None
None
None
IOD  A 407 ( 4.3A)
None
None
 1.22A 3mg0Y-1sd5A:
undetectable
3mg0Z-1sd5A:
undetectable		 3mg0Y-1sd5A:
21.98
3mg0Z-1sd5A:
24.40
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 ALA A 274
ALA A 272
ALA A 275
VAL A 209
ALA A 212
GLY A 231
 None
 1.39A 3mg0Y-1uagA:
undetectable
3mg0Z-1uagA:
undetectable		 3mg0Y-1uagA:
18.99
3mg0Z-1uagA:
19.63
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		6 ALA A  98
THR A  99
ALA A 100
VAL A  65
ALA A  91
ASP A  52
 None
 1.17A 3mg0Y-1ur4A:
undetectable
3mg0Z-1ur4A:
undetectable		 3mg0Y-1ur4A:
19.70
3mg0Z-1ur4A:
19.47
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		6 ALA A 415
THR A 430
ALA A 427
VAL A 245
ALA A 436
ALA A 142
 None
None
NAD  A1002 ( 4.0A)
None
None
None
 1.33A 3mg0Y-1vrqA:
undetectable
3mg0Z-1vrqA:
undetectable		 3mg0Y-1vrqA:
12.32
3mg0Z-1vrqA:
13.63
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.
1zch HYPOTHETICAL
OXIDOREDUCTASE YCND

(Bacillus
subtilis) 		PF00881
(Nitroreductase) 		6 ALA A 121
THR A 122
ALA A 123
ALA A 114
GLY A 115
SER A 159
 None
None
None
None
None
FMN  A 301 ( 3.9A)
 1.47A 3mg0Y-1zchA:
undetectable
3mg0Z-1zchA:
undetectable		 3mg0Y-1zchA:
21.32
3mg0Z-1zchA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zch HYPOTHETICAL
OXIDOREDUCTASE YCND

(Bacillus
subtilis) 		PF00881
(Nitroreductase) 		6 ALA A 121
THR A 122
ALA A 124
ALA A 114
GLY A 115
SER A 159
 None
None
None
None
None
FMN  A 301 ( 3.9A)
 1.31A 3mg0Y-1zchA:
undetectable
3mg0Z-1zchA:
undetectable		 3mg0Y-1zchA:
21.32
3mg0Z-1zchA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 8 THR H 301
THR H 321
VAL H 331
LYS H 333
ALA H 346
GLY H 347
ALA H 349
SER H 441
 None
 0.63A 3mg0Y-2fhgH:
14.9
3mg0Z-2fhgH:
22.1		 3mg0Y-2fhgH:
28.11
3mg0Z-2fhgH:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
VAL H 331
LYS H 333
GLY H 347
ALA H 352
SER H 441
 None
 1.35A 3mg0Y-2fhgH:
14.9
3mg0Z-2fhgH:
22.1		 3mg0Y-2fhgH:
28.11
3mg0Z-2fhgH:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ifw SCYTALIDOPEPSIN B

(Scytalidium
lignicola) 		PF01828
(Peptidase_A4) 		6 ALA A  23
THR A  22
ALA A  21
VAL A 160
GLY A  55
ALA A  38
 None
 1.38A 3mg0Y-2ifwA:
undetectable
3mg0Z-2ifwA:
undetectable		 3mg0Y-2ifwA:
20.76
3mg0Z-2ifwA:
20.69
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 281
ALA A 122
ALA A 125
ALA A 213
GLY A 212
ALA A 389
 None
 1.37A 3mg0Y-2iwzA:
undetectable
3mg0Z-2iwzA:
undetectable		 3mg0Y-2iwzA:
19.09
3mg0Z-2iwzA:
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		6 ALA A  51
THR A  54
ALA A  53
ALA A  50
VAL A 371
ALA A  72
 None
 1.35A 3mg0Y-2nlzA:
3.3
3mg0Z-2nlzA:
undetectable		 3mg0Y-2nlzA:
16.79
3mg0Z-2nlzA:
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.
2pfe ALKALINE SERINE
PROTEASE

(Thermobifida
fusca) 		PF00089
(Trypsin) 		6 ALA A  53
THR A  54
ALA A  55
VAL A  47
ALA A  88
GLY A  89
 None
 1.30A 3mg0Y-2pfeA:
undetectable
3mg0Z-2pfeA:
undetectable		 3mg0Y-2pfeA:
23.48
3mg0Z-2pfeA:
24.28
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.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		5 ALA A 152
THR A 151
ALA A 150
ALA A  97
VAL A 154
 None
 0.86A 3mg0Y-2uzhA:
undetectable
3mg0Z-2uzhA:
undetectable		 3mg0Y-2uzhA:
21.36
3mg0Z-2uzhA:
24.00
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		6 ALA A 521
VAL A 549
ALA A 516
GLY A 517
SER A 526
ASP A 555
 None
 1.00A 3mg0Y-2vn7A:
undetectable
3mg0Z-2vn7A:
undetectable		 3mg0Y-2vn7A:
16.69
3mg0Z-2vn7A:
18.29
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.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 OLA  A1179 ( 3.7A)
None
OLA  A1179 (-3.5A)
OLA  A1179 ( 4.0A)
None
 0.85A 3mg0Y-2wq9A:
undetectable
3mg0Z-2wq9A:
undetectable		 3mg0Y-2wq9A:
20.64
3mg0Z-2wq9A:
20.83
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.
2z1b DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Mus musculus) 		PF00490
(ALAD) 		5 ALA A 154
ALA A 151
VAL A 165
ALA A 158
SER A  99
 None
 0.87A 3mg0Y-2z1bA:
undetectable
3mg0Z-2z1bA:
undetectable		 3mg0Y-2z1bA:
19.94
3mg0Z-2z1bA:
24.63
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 THR A 537
ALA A 536
ALA A 530
VAL A 552
GLY A 492
 None
 0.86A 3mg0Y-2zuxA:
undetectable
3mg0Z-2zuxA:
undetectable		 3mg0Y-2zuxA:
16.64
3mg0Z-2zuxA:
17.35
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		6 ALA A3050
ALA A3258
VAL A3246
ALA A3053
GLY A3054
SER A3329
 None
 1.34A 3mg0Y-3cmuA:
undetectable
3mg0Z-3cmuA:
undetectable		 3mg0Y-3cmuA:
7.39
3mg0Z-3cmuA:
7.74
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 ALA A 261
THR A 260
ALA A 362
VAL A 254
ALA A 215
 None
 0.81A 3mg0Y-3d8kA:
undetectable
3mg0Z-3d8kA:
4.7		 3mg0Y-3d8kA:
19.69
3mg0Z-3d8kA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1e THIOESTERASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF03061
(4HBT) 		5 ALA A 116
THR A 115
ALA A 114
ALA A 102
ASP A  63
 None
 0.88A 3mg0Y-3e1eA:
undetectable
3mg0Z-3e1eA:
undetectable		 3mg0Y-3e1eA:
19.91
3mg0Z-3e1eA:
23.21
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 244
ALA A  83
ALA A  86
ALA A 174
GLY A 173
ALA A 351
 None
 1.40A 3mg0Y-3e60A:
undetectable
3mg0Z-3e60A:
undetectable		 3mg0Y-3e60A:
19.91
3mg0Z-3e60A:
20.10
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.
3fpv EXTRACELLULAR
HAEM-BINDING PROTEIN

(Streptomyces
reticuli) 		PF03928
(Haem_degrading) 		6 ALA A 151
ALA A 149
ALA A 152
VAL A 122
ALA A  84
GLY A 133
 None
 1.48A 3mg0Y-3fpvA:
undetectable
3mg0Z-3fpvA:
undetectable		 3mg0Y-3fpvA:
22.42
3mg0Z-3fpvA:
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.
3gvd SERINE
ACETYLTRANSFERASE

(Yersinia pestis) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 ALA A 236
THR A 235
ALA A 218
ALA A 222
GLY A 203
 None
 0.87A 3mg0Y-3gvdA:
undetectable
3mg0Z-3gvdA:
undetectable		 3mg0Y-3gvdA:
22.10
3mg0Z-3gvdA:
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.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		6 THR a   7
ALA a  26
ALA a  33
ALA a  52
GLY a  53
SER a 138
 None
 0.99A 3mg0Y-3h4pa:
21.3
3mg0Z-3h4pa:
24.3		 3mg0Y-3h4pa:
29.36
3mg0Z-3h4pa:
25.73
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.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		6 THR a   7
ALA a  26
ALA a  33
LYS a  39
ALA a  52
SER a 138
 None
 1.19A 3mg0Y-3h4pa:
21.3
3mg0Z-3h4pa:
24.3		 3mg0Y-3h4pa:
29.36
3mg0Z-3h4pa:
25.73
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.
3i12 D-ALANINE-D-ALANINE
LIGASE A

(Salmonella
enterica) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A 241
ALA A 286
ALA A 296
GLY A 297
ALA A 299
 None
 0.89A 3mg0Y-3i12A:
undetectable
3mg0Z-3i12A:
undetectable		 3mg0Y-3i12A:
18.85
3mg0Z-3i12A:
20.82
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.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		6 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
SER H 129
 None
 0.28A 3mg0Y-3jtlH:
16.5
3mg0Z-3jtlH:
25.3		 3mg0Y-3jtlH:
27.23
3mg0Z-3jtlH:
21.98
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		6 ALA X 465
ALA X 280
ALA X 469
VAL X 396
GLY X 441
ALA X 439
 None
 1.29A 3mg0Y-3lxuX:
undetectable
3mg0Z-3lxuX:
undetectable		 3mg0Y-3lxuX:
9.25
3mg0Z-3lxuX:
9.98
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		6 THR A 209
ALA A 298
THR A 296
ALA A 299
ALA A 213
SER A 188
 None
 1.37A 3mg0Y-3mc2A:
undetectable
3mg0Z-3mc2A:
undetectable		 3mg0Y-3mc2A:
16.30
3mg0Z-3mc2A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 7 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
SER N 129
 None
 0.57A 3mg0Y-3mg6N:
16.6
3mg0Z-3mg6N:
25.0		 3mg0Y-3mg6N:
27.18
3mg0Z-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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ALA A 319
THR A 316
ALA A 317
ALA A 320
VAL A 289
ALA A 108
 None
 1.38A 3mg0Y-3mqtA:
undetectable
3mg0Z-3mqtA:
undetectable		 3mg0Y-3mqtA:
18.93
3mg0Z-3mqtA:
18.59
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.
3oz9 FAB NC-1 IGG2A HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  78
ALA H  71
VAL H  34
ALA H  24
SER H   7
 None
 0.87A 3mg0Y-3oz9H:
undetectable
3mg0Z-3oz9H:
undetectable		 3mg0Y-3oz9H:
21.46
3mg0Z-3oz9H:
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.
3qw4 UMP SYNTHASE

(Leishmania
donovani) 		PF00156
(Pribosyltran)
PF00215
(OMPdecase) 		6 ALA B  28
THR B  26
ALA B  24
ALA B  29
ALA B  60
ALA B  65
 None
 1.36A 3mg0Y-3qw4B:
undetectable
3mg0Z-3qw4B:
undetectable		 3mg0Y-3qw4B:
18.41
3mg0Z-3qw4B:
19.15
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.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  48
THR A  47
ALA A  46
ALA A  55
ALA A  21
 None
 0.82A 3mg0Y-3s6lA:
undetectable
3mg0Z-3s6lA:
undetectable		 3mg0Y-3s6lA:
22.17
3mg0Z-3s6lA:
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		9 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
ALA H  46
GLY H  47
ALA H  49
SER H 129
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-2.9A)
 0.54A 3mg0Y-3unfH:
17.5
3mg0Z-3unfH:
25.4		 3mg0Y-3unfH:
26.16
3mg0Z-3unfH:
25.10
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		6 ALA A 834
THR A 833
ALA A 889
ALA A 835
GLY A 995
ALA A1013
 None
 1.32A 3mg0Y-3w94A:
undetectable
3mg0Z-3w94A:
undetectable		 3mg0Y-3w94A:
21.69
3mg0Z-3w94A:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wg1 GALACTOSIDE-BINDING
LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		5 ALA A  49
THR A  48
ALA A  64
ALA A  15
GLY A  14
 None
None
LAT  A 201 ( 4.2A)
None
None
 0.88A 3mg0Y-3wg1A:
undetectable
3mg0Z-3wg1A:
undetectable		 3mg0Y-3wg1A:
19.74
3mg0Z-3wg1A:
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		6 THR A 221
ALA A 158
ALA A 157
ALA A 218
GLY A 217
ALA A 215
 None
 1.43A 3mg0Y-3wjsA:
undetectable
3mg0Z-3wjsA:
undetectable		 3mg0Y-3wjsA:
21.49
3mg0Z-3wjsA:
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		6 THR A 221
ALA A 158
ALA A 161
ALA A 218
GLY A 217
ALA A 215
 None
 1.44A 3mg0Y-3wjsA:
undetectable
3mg0Z-3wjsA:
undetectable		 3mg0Y-3wjsA:
21.49
3mg0Z-3wjsA:
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 ALA A  52
THR A  53
ALA A 321
VAL A 314
GLY A 304
 None
 0.84A 3mg0Y-3wvsA:
undetectable
3mg0Z-3wvsA:
undetectable		 3mg0Y-3wvsA:
19.85
3mg0Z-3wvsA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 ALA L  20
ALA L  22
ALA L  27
VAL L  31
LYS L  33
GLY L  48
 None
 0.83A 3mg0Y-3wxrL:
23.1
3mg0Z-3wxrL:
22.9		 3mg0Y-3wxrL:
100.00
3mg0Z-3wxrL:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		11 THR L   1
ALA L  20
THR L  21
ALA L  22
ALA L  27
VAL L  31
LYS L  33
ALA L  46
GLY L  47
ALA L  49
SER L 131
 None
 0.65A 3mg0Y-3wxrL:
23.1
3mg0Z-3wxrL:
22.9		 3mg0Y-3wxrL:
100.00
3mg0Z-3wxrL:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
THR L  21
ALA L  22
ALA L  46
GLY L  47
SER L 131
 None
 1.43A 3mg0Y-3wxrL:
23.1
3mg0Z-3wxrL:
22.9		 3mg0Y-3wxrL:
100.00
3mg0Z-3wxrL:
22.18
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.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ALA A  37
THR A  36
ALA A  35
VAL A  78
ALA A  46
ALA A  41
 None
 1.32A 3mg0Y-4a73A:
undetectable
3mg0Z-4a73A:
undetectable		 3mg0Y-4a73A:
19.87
3mg0Z-4a73A:
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.
4bmw EXTRACELLULAR
HAEM-BINDING PROTEIN

(Streptomyces
reticuli) 		PF03928
(Haem_degrading) 		6 ALA A 151
ALA A 149
ALA A 152
VAL A 122
ALA A  84
GLY A 133
 None
 1.48A 3mg0Y-4bmwA:
undetectable
3mg0Z-4bmwA:
undetectable		 3mg0Y-4bmwA:
21.72
3mg0Z-4bmwA:
20.54
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		5 THR A 507
ALA A 506
ALA A 500
VAL A 522
GLY A 462
 None
 0.86A 3mg0Y-4cagA:
undetectable
3mg0Z-4cagA:
undetectable		 3mg0Y-4cagA:
16.92
3mg0Z-4cagA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		8 THR A   1
ALA A  20
THR A  21
VAL A  31
LYS A  33
ALA A  47
GLY A  48
SER A 124
 None
 0.61A 3mg0Y-4g4eA:
10.7
3mg0Z-4g4eA:
6.4		 3mg0Y-4g4eA:
28.05
3mg0Z-4g4eA:
23.61
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		6 ALA A  56
ALA A  59
VAL A 197
ALA A 190
GLY A 214
ALA A 210
 None
 1.36A 3mg0Y-4gp1A:
undetectable
3mg0Z-4gp1A:
undetectable		 3mg0Y-4gp1A:
20.11
3mg0Z-4gp1A:
21.37
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		7 THR A   1
THR A  21
ALA A  28
LYS A  34
ALA A  47
GLY A  48
SER A 125
 None
 0.74A 3mg0Y-4ho7A:
10.1
3mg0Z-4ho7A:
6.3		 3mg0Y-4ho7A:
23.26
3mg0Z-4ho7A:
23.68
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		6 THR A  86
ALA A 105
ALA A 100
ALA A 341
ALA A  61
GLY A  62
 None
 1.38A 3mg0Y-4hxyA:
undetectable
3mg0Z-4hxyA:
undetectable		 3mg0Y-4hxyA:
19.13
3mg0Z-4hxyA:
18.04
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 THR A 824
ALA A 823
VAL A 827
ALA A 753
GLY A 752
 None
 0.73A 3mg0Y-4i3gA:
undetectable
3mg0Z-4i3gA:
undetectable		 3mg0Y-4i3gA:
14.13
3mg0Z-4i3gA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmp ALANINE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		6 ALA A 183
ALA A 137
ALA A 141
ALA A 176
GLY A 177
ALA A 238
 None
GOL  A 403 ( 3.8A)
None
None
GOL  A 402 (-3.5A)
None
 1.28A 3mg0Y-4lmpA:
undetectable
3mg0Z-4lmpA:
undetectable		 3mg0Y-4lmpA:
21.04
3mg0Z-4lmpA:
21.56
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.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 ALA A 247
THR A 246
ALA A 229
ALA A 233
GLY A 214
 None
COA  A 300 (-3.7A)
None
COA  A 300 (-3.7A)
COA  A 300 ( 4.0A)
 0.85A 3mg0Y-4n6bA:
undetectable
3mg0Z-4n6bA:
undetectable		 3mg0Y-4n6bA:
22.56
3mg0Z-4n6bA:
22.15
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 ALA A 197
ALA A 194
ALA A 144
VAL A 199
GLY A 210
 None
 0.88A 3mg0Y-4ne4A:
undetectable
3mg0Z-4ne4A:
undetectable		 3mg0Y-4ne4A:
21.77
3mg0Z-4ne4A:
24.05
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		5 THR A 419
ALA A 418
ALA A 556
GLY A 555
ASP A 564
 None
 0.89A 3mg0Y-4qfhA:
undetectable
3mg0Z-4qfhA:
undetectable		 3mg0Y-4qfhA:
16.39
3mg0Z-4qfhA:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
ALA K  22
ALA K  27
VAL K  31
GLY K  48
 None
 0.65A 3mg0Y-4qv9K:
23.3
3mg0Z-4qv9K:
23.1		 3mg0Y-4qv9K:
99.53
3mg0Z-4qv9K:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		11 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
ALA K  46
GLY K  47
ALA K  49
SER K 131
 None
 0.50A 3mg0Y-4qv9K:
23.3
3mg0Z-4qv9K:
23.1		 3mg0Y-4qv9K:
99.53
3mg0Z-4qv9K:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wtv PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-BETA,ENDOLYSIN,PHO
SPHATIDYLINOSITOL
4-KINASE TYPE 2-BETA

(Escherichia
virus T4;
Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00959
(Phage_lysozyme) 		6 THR A 207
ALA A 192
ALA A 348
ALA A 342
SER A 255
ASP A 297
 None
 1.44A 3mg0Y-4wtvA:
undetectable
3mg0Z-4wtvA:
undetectable		 3mg0Y-4wtvA:
16.60
3mg0Z-4wtvA:
20.85
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.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 ALA A 283
ALA A 277
VAL A 238
ALA A 162
ASP A 170
 None
None
ACT  A 409 ( 4.6A)
FAD  A 401 ( 3.2A)
EDO  A 413 (-2.8A)
 0.85A 3mg0Y-4xdtA:
undetectable
3mg0Z-4xdtA:
undetectable		 3mg0Y-4xdtA:
20.67
3mg0Z-4xdtA:
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.
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   7
ALA A   6
ALA A 303
VAL A  10
GLY A 371
 None
 0.84A 3mg0Y-5cxpA:
undetectable
3mg0Z-5cxpA:
undetectable		 3mg0Y-5cxpA:
18.68
3mg0Z-5cxpA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d1r RV1816
TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		6 ALA A  99
ALA A  97
VAL A 196
ALA A 106
GLY A 104
ASP A 221
 None
 1.14A 3mg0Y-5d1rA:
undetectable
3mg0Z-5d1rA:
undetectable		 3mg0Y-5d1rA:
19.76
3mg0Z-5d1rA:
22.75
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
THR H  21
ALA H  27
LYS H  33
ALA H  46
GLY H  47
ALA H  49
SER H 129
 None
 0.50A 3mg0Y-5fg9H:
16.1
3mg0Z-5fg9H:
23.2		 3mg0Y-5fg9H:
29.22
3mg0Z-5fg9H:
24.22
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 ALA I  20
THR I  21
ALA I  27
LYS I  33
ALA I  46
GLY I  47
ASP J 138
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 0.99A 3mg0Y-5fmgI:
16.7
3mg0Z-5fmgI:
23.3		 3mg0Y-5fmgI:
26.29
3mg0Z-5fmgI:
21.07
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		8 THR I   1
ALA I  20
THR I  21
ALA I  27
ALA I  46
GLY I  47
SER I 129
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-4.0A)
7F1  I 300 (-2.6A)
 0.92A 3mg0Y-5fmgI:
16.7
3mg0Z-5fmgI:
23.3		 3mg0Y-5fmgI:
26.29
3mg0Z-5fmgI:
21.07
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 ALA I  20
THR I  21
ALA I  27
LYS I  33
ALA I  46
GLY I  47
ALA I  49
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.73A 3mg0Y-5fmgI:
16.7
3mg0Z-5fmgI:
23.3		 3mg0Y-5fmgI:
26.29
3mg0Z-5fmgI:
21.07
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		8 THR I   1
ALA I  20
THR I  21
ALA I  27
ALA I  46
GLY I  47
ALA I  49
SER I 129
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-4.0A)
 0.64A 3mg0Y-5fmgI:
16.7
3mg0Z-5fmgI:
23.3		 3mg0Y-5fmgI:
26.29
3mg0Z-5fmgI:
21.07
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) 		7 THR L   1
ALA L  20
VAL L  31
ALA L  46
GLY L  47
ALA L  49
SER L 130
 None
 0.76A 3mg0Y-5fmgL:
16.5
3mg0Z-5fmgL:
8.4		 3mg0Y-5fmgL:
47.89
3mg0Z-5fmgL:
23.53
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 ALA A 628
THR A 627
ALA A 626
ALA A 560
SER A 588
 None
 0.89A 3mg0Y-5hp6A:
undetectable
3mg0Z-5hp6A:
undetectable		 3mg0Y-5hp6A:
14.59
3mg0Z-5hp6A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 ALA A 566
ALA A 569
VAL A 582
ALA A 499
GLY A 560
ALA A 558
 None
 1.16A 3mg0Y-5i51A:
undetectable
3mg0Z-5i51A:
undetectable		 3mg0Y-5i51A:
14.29
3mg0Z-5i51A:
16.26
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.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		5 ALA A  30
THR A  31
ALA A  48
VAL A  28
GLY A  14
 None
 0.87A 3mg0Y-5idqA:
undetectable
3mg0Z-5idqA:
undetectable		 3mg0Y-5idqA:
22.69
3mg0Z-5idqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		6 ALA A 563
ALA A 659
ALA A 566
VAL A 570
ALA A 557
GLY A 558
 None
 1.15A 3mg0Y-5kqiA:
undetectable
3mg0Z-5kqiA:
undetectable		 3mg0Y-5kqiA:
14.55
3mg0Z-5kqiA:
14.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
ALA K  22
ALA K  27
VAL K  31
GLY K  48
 None
 0.74A 3mg0Y-5l5wK:
23.8
3mg0Z-5l5wK:
23.3		 3mg0Y-5l5wK:
82.55
3mg0Z-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		11 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
ALA K  46
GLY K  47
ALA K  49
SER K 130
 None
 0.68A 3mg0Y-5l5wK:
23.8
3mg0Z-5l5wK:
23.3		 3mg0Y-5l5wK:
82.55
3mg0Z-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
ALA K  22
ALA K  46
GLY K  47
SER K 130
 None
 1.28A 3mg0Y-5l5wK:
23.8
3mg0Z-5l5wK:
23.3		 3mg0Y-5l5wK:
82.55
3mg0Z-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
ALA K  22
VAL K  31
LYS K  33
GLY K  47
ALA K  49
SER K 130
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 (-4.2A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
7DX  K 301 (-3.1A)
 0.58A 3mg0Y-5m2bK:
24.9
3mg0Z-5m2bK:
23.7		 3mg0Y-5m2bK:
76.89
3mg0Z-5m2bK:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
ALA K  28
GLY K  47
ALA K  49
SER K 130
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 ( 4.6A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
7DX  K 301 (-3.1A)
 1.10A 3mg0Y-5m2bK:
24.9
3mg0Z-5m2bK:
23.7		 3mg0Y-5m2bK:
76.89
3mg0Z-5m2bK:
23.50
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 ALA A 331
THR A 334
ALA A 333
ALA A 330
VAL A 288
ALA A 294
 None
 1.46A 3mg0Y-5nd4A:
undetectable
3mg0Z-5nd4A:
undetectable		 3mg0Y-5nd4A:
19.09
3mg0Z-5nd4A:
21.39
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.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 THR A   1
LYS A  37
GLY A  50
ALA A  52
SER A 139
 PO4  A 301 ( 4.5A)
None
PO4  A 301 (-4.1A)
None
PO4  A 301 (-3.0A)
 0.43A 3mg0Y-5ovtA:
9.4
3mg0Z-5ovtA:
5.9		 3mg0Y-5ovtA:
18.96
3mg0Z-5ovtA:
16.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 ALA R  20
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  48
 None
 1.03A 3mg0Y-5t0gR:
18.6
3mg0Z-5t0gR:
23.6		 3mg0Y-5t0gR:
65.38
3mg0Z-5t0gR:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		10 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
ALA R  46
GLY R  47
SER R 130
 None
 0.98A 3mg0Y-5t0gR:
18.6
3mg0Z-5t0gR:
23.6		 3mg0Y-5t0gR:
65.38
3mg0Z-5t0gR:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		10 THR R   1
ALA R  20
THR R  21
ALA R  22
VAL R  31
LYS R  33
ALA R  46
GLY R  47
ALA R  49
SER R 130
 None
 1.02A 3mg0Y-5t0gR:
18.6
3mg0Z-5t0gR:
23.6		 3mg0Y-5t0gR:
65.38
3mg0Z-5t0gR:
22.06
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.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 ALA O  20
ALA O  46
GLY O  47
ALA O  49
SER O 129
 None
 0.80A 3mg0Y-5t0hO:
15.7
3mg0Z-5t0hO:
24.0		 3mg0Y-5t0hO:
28.69
3mg0Z-5t0hO:
23.78
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.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR O   1
LYS O  33
ALA O  46
GLY O  47
ALA O  49
 None
 0.88A 3mg0Y-5t0hO:
15.7
3mg0Z-5t0hO:
24.0		 3mg0Y-5t0hO:
28.69
3mg0Z-5t0hO:
23.78
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		6 THR A  40
ALA A  60
THR A  63
ALA A  65
ALA A  61
ALA A  37
 None
 1.41A 3mg0Y-5tusA:
undetectable
3mg0Z-5tusA:
undetectable		 3mg0Y-5tusA:
14.46
3mg0Z-5tusA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 7 ALA R  20
ALA R  22
VAL R  31
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.74A 3mg0Y-5vfrR:
25.0
3mg0Z-5vfrR:
23.3		 3mg0Y-5vfrR:
undetectable
3mg0Z-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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 7 ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  48
 None
 0.83A 3mg0Y-5vfrR:
25.0
3mg0Z-5vfrR:
23.3		 3mg0Y-5vfrR:
undetectable
3mg0Z-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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 10 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  47
ALA R  49
SER R 130
 None
 0.75A 3mg0Y-5vfrR:
25.0
3mg0Z-5vfrR:
23.3		 3mg0Y-5vfrR:
undetectable
3mg0Z-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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA A 309
ALA A 312
VAL A 345
ALA A 301
GLY A 300
 None
 0.88A 3mg0Y-5vj7A:
undetectable
3mg0Z-5vj7A:
undetectable		 3mg0Y-5vj7A:
17.44
3mg0Z-5vj7A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfs PE FAMILY PROTEIN
PE8
PPE FAMILY PROTEIN
PPE15

(Mycobacterium
tuberculosis) 		PF00823
(PPE)
no annotation 		6 THR A  37
ALA A  34
ALA A  38
ALA B  90
GLY B  28
ALA B  26
 None
 1.37A 3mg0Y-5xfsA:
undetectable
3mg0Z-5xfsA:
undetectable		 3mg0Y-5xfsA:
18.26
3mg0Z-5xfsA:
16.07
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 6 ALA A 457
THR A 456
ALA A 455
VAL A  27
ALA A  89
ALA A 461
 None
HEZ  A 703 (-4.4A)
HEZ  A 703 (-3.7A)
None
None
None
 1.33A 3mg0Y-5ya1A:
undetectable
3mg0Z-5ya1A:
undetectable		 3mg0Y-5ya1A:
16.67
3mg0Z-5ya1A:
16.92