SIMILAR PATTERNS OF AMINO ACIDS FOR 3MG0_K_BO2K1402_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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 THR A 420
ALA A 364
VAL A 357
ALA A 412
GLY A 413
 None
 0.91A 3mg0K-1e6vA:
0.0
3mg0L-1e6vA:
0.3		 3mg0K-1e6vA:
16.64
3mg0L-1e6vA:
18.10
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.
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
 0.90A 3mg0K-1ee6A:
0.0
3mg0L-1ee6A:
0.0		 3mg0K-1ee6A:
22.13
3mg0L-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.
1for IGG2A-KAPPA 17-IA
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  79
ALA H  72
VAL H  34
ALA H  24
SER H   7
 None
 0.90A 3mg0K-1forH:
0.0
3mg0L-1forH:
0.0		 3mg0K-1forH:
21.12
3mg0L-1forH:
20.73
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)
 0.29A 3mg0K-1j2qH:
29.6
3mg0L-1j2qH:
24.8		 3mg0K-1j2qH:
30.37
3mg0L-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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 312
THR A 313
ALA A 186
GLY A 183
ALA A 155
 None
 0.93A 3mg0K-1lluA:
undetectable
3mg0L-1lluA:
undetectable		 3mg0K-1lluA:
21.08
3mg0L-1lluA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3mg0K-1m4yA:
20.6
3mg0L-1m4yA:
17.0		 3mg0K-1m4yA:
25.00
3mg0L-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
 0.41A 3mg0K-1m4yA:
20.6
3mg0L-1m4yA:
17.0		 3mg0K-1m4yA:
25.00
3mg0L-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)
 0.35A 3mg0K-1ofiG:
9.8
3mg0L-1ofiG:
17.2		 3mg0K-1ofiG:
25.23
3mg0L-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.
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 3mg0K-1q5qH:
26.4
3mg0L-1q5qH:
22.8		 3mg0K-1q5qH:
27.92
3mg0L-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 3mg0K-1q5rH:
23.9
3mg0L-1q5rH:
22.5		 3mg0K-1q5rH:
27.59
3mg0L-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.
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
 1.21A 3mg0K-1sd5A:
undetectable
3mg0L-1sd5A:
undetectable		 3mg0K-1sd5A:
21.98
3mg0L-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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		6 ALA C 247
THR C 248
ALA C 244
ALA C 220
GLY C 214
ALA C 195
 None
 1.47A 3mg0K-1t3qC:
undetectable
3mg0L-1t3qC:
undetectable		 3mg0K-1t3qC:
22.49
3mg0L-1t3qC:
19.87
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.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		5 ALA A 214
ALA A 217
VAL A  24
ALA A  16
GLY A  17
 None
 0.94A 3mg0K-1ub0A:
undetectable
3mg0L-1ub0A:
undetectable		 3mg0K-1ub0A:
25.09
3mg0L-1ub0A:
19.92
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.
1ww6 GALECTIN

(Agrocybe
cylindracea) 		PF00337
(Gal-bind_lectin) 		5 ALA A  49
THR A  48
ALA A  64
ALA A  15
GLY A  14
 None
None
GAL  A 200 ( 4.3A)
None
None
 0.87A 3mg0K-1ww6A:
undetectable
3mg0L-1ww6A:
undetectable		 3mg0K-1ww6A:
20.18
3mg0L-1ww6A:
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.
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)
 1.26A 3mg0K-1zchA:
undetectable
3mg0L-1zchA:
undetectable		 3mg0K-1zchA:
21.32
3mg0L-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
 0.60A 3mg0K-2fhgH:
25.9
3mg0L-2fhgH:
22.6		 3mg0K-2fhgH:
28.11
3mg0L-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
 1.34A 3mg0K-2fhgH:
25.9
3mg0L-2fhgH:
22.6		 3mg0K-2fhgH:
28.11
3mg0L-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.
2opj O-SUCCINYLBENZOATE-C
OA SYNTHASE

(Thermobifida
fusca) 		PF13378
(MR_MLE_C) 		5 ALA A 140
THR A 139
VAL A 168
ALA A 160
GLY A 133
 None
 0.96A 3mg0K-2opjA:
undetectable
3mg0L-2opjA:
undetectable		 3mg0K-2opjA:
20.12
3mg0L-2opjA:
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		5 ALA A 123
THR A 120
ALA A 122
ALA A 157
GLY A 156
 None
 0.96A 3mg0K-2pblA:
undetectable
3mg0L-2pblA:
undetectable		 3mg0K-2pblA:
21.64
3mg0L-2pblA:
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.
2pfe ALKALINE SERINE
PROTEASE

(Thermobifida
fusca) 		PF00089
(Trypsin) 		5 ALA A  53
THR A  54
VAL A  47
ALA A  88
GLY A  89
 None
 0.92A 3mg0K-2pfeA:
undetectable
3mg0L-2pfeA:
undetectable		 3mg0K-2pfeA:
23.48
3mg0L-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.
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
 0.99A 3mg0K-2vn7A:
undetectable
3mg0L-2vn7A:
undetectable		 3mg0K-2vn7A:
16.69
3mg0L-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.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		5 THR A  26
ALA A  40
VAL A   8
ALA A  22
GLY A  23
 None
 0.94A 3mg0K-2we8A:
undetectable
3mg0L-2we8A:
undetectable		 3mg0K-2we8A:
21.81
3mg0L-2we8A:
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.
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
 0.90A 3mg0K-2z1bA:
undetectable
3mg0L-2z1bA:
undetectable		 3mg0K-2z1bA:
19.94
3mg0L-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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		5 ALA A 458
THR A 459
ALA A 407
VAL A 434
LYS A 432
 None
 0.97A 3mg0K-3c7oA:
undetectable
3mg0L-3c7oA:
undetectable		 3mg0K-3c7oA:
18.09
3mg0L-3c7oA:
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 ALA A  50
ALA A 258
VAL A 246
ALA A  53
GLY A  54
 None
 0.97A 3mg0K-3cmtA:
undetectable
3mg0L-3cmtA:
undetectable		 3mg0K-3cmtA:
8.62
3mg0L-3cmtA:
8.84
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		6 ALA A1050
ALA A1258
VAL A1246
ALA A1053
GLY A1054
SER A1329
 None
 1.34A 3mg0K-3cmuA:
undetectable
3mg0L-3cmuA:
undetectable		 3mg0K-3cmuA:
7.39
3mg0L-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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		6 ALA A3050
ALA A3258
VAL A3246
ALA A3053
GLY A3054
SER A3329
 None
 1.33A 3mg0K-3cmuA:
undetectable
3mg0L-3cmuA:
undetectable		 3mg0K-3cmuA:
7.39
3mg0L-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
 0.82A 3mg0K-3d8kA:
4.3
3mg0L-3d8kA:
undetectable		 3mg0K-3d8kA:
19.69
3mg0L-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.
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
 1.03A 3mg0K-3h4pa:
28.5
3mg0L-3h4pa:
24.6		 3mg0K-3h4pa:
29.36
3mg0L-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
 1.25A 3mg0K-3h4pa:
28.5
3mg0L-3h4pa:
24.6		 3mg0K-3h4pa:
29.36
3mg0L-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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A 232
VAL A 243
ALA A 286
GLY A 285
ALA A 281
 ATP  A 900 ( 4.0A)
None
ATP  A 900 (-3.6A)
ATP  A 900 (-3.4A)
None
 0.95A 3mg0K-3iq0A:
undetectable
3mg0L-3iq0A:
undetectable		 3mg0K-3iq0A:
18.92
3mg0L-3iq0A:
22.81
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.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		6 ALA A  57
THR A  56
VAL A 210
ALA A  64
GLY A  63
ALA A  67
 None
 1.30A 3mg0K-3iwjA:
undetectable
3mg0L-3iwjA:
undetectable		 3mg0K-3iwjA:
19.24
3mg0L-3iwjA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.32A 3mg0K-3jtlH:
29.4
3mg0L-3jtlH:
25.7		 3mg0K-3jtlH:
27.23
3mg0L-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.
3juy 3B3 SINGLE CHAIN
VARIANT HIV-1
ANTIBODY

(Homo sapiens) 		no annotation 5 ALA B  79
ALA B  72
VAL B  34
ALA B  24
SER B   7
 None
 0.94A 3mg0K-3juyB:
undetectable
3mg0L-3juyB:
undetectable		 3mg0K-3juyB:
22.64
3mg0L-3juyB:
19.56
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.
3l9k RE64145P

(Drosophila
melanogaster) 		PF03259
(Robl_LC7) 		5 ALA A  51
ALA A  54
VAL A  81
ALA A  44
GLY A  45
 None
 0.94A 3mg0K-3l9kA:
undetectable
3mg0L-3l9kA:
undetectable		 3mg0K-3l9kA:
18.47
3mg0L-3l9kA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 3mg0K-3mc2A:
undetectable
3mg0L-3mc2A:
undetectable		 3mg0K-3mc2A:
16.30
3mg0L-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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 312
THR A 313
ALA A 184
GLY A 181
ALA A 153
 None
 0.93A 3mg0K-3meqA:
undetectable
3mg0L-3meqA:
undetectable		 3mg0K-3meqA:
22.16
3mg0L-3meqA:
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.
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
 0.56A 3mg0K-3mg6N:
29.0
3mg0L-3mg6N:
25.3		 3mg0K-3mg6N:
27.18
3mg0L-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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv)
PF08762
(CRPV_capsid) 		6 THR B 177
ALA C 252
VAL C  59
ALA A 233
ALA C 110
SER B 173
 None
 1.45A 3mg0K-3napB:
undetectable
3mg0L-3napB:
undetectable		 3mg0K-3napB:
20.00
3mg0L-3napB:
22.40
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.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA B 211
THR B 221
ALA B 222
ALA B 190
ASP B 188
 None
 0.95A 3mg0K-3nwaB:
undetectable
3mg0L-3nwaB:
undetectable		 3mg0K-3nwaB:
13.95
3mg0L-3nwaB:
15.19
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.
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 3mg0K-3oz9H:
undetectable
3mg0L-3oz9H:
undetectable		 3mg0K-3oz9H:
21.46
3mg0L-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.
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)
 0.52A 3mg0K-3unfH:
30.6
3mg0L-3unfH:
25.8		 3mg0K-3unfH:
26.16
3mg0L-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.
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
 0.86A 3mg0K-3wg1A:
undetectable
3mg0L-3wg1A:
undetectable		 3mg0K-3wg1A:
19.74
3mg0L-3wg1A:
23.83
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) 		5 ALA L  20
ALA L  27
VAL L  31
LYS L  33
GLY L  48
 None
 0.77A 3mg0K-3wxrL:
37.8
3mg0L-3wxrL:
23.3		 3mg0K-3wxrL:
100.00
3mg0L-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) 		9 THR L   1
ALA L  20
ALA L  27
VAL L  31
LYS L  33
ALA L  46
GLY L  47
ALA L  49
SER L 131
 None
 0.68A 3mg0K-3wxrL:
37.8
3mg0L-3wxrL:
23.3		 3mg0K-3wxrL:
100.00
3mg0L-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) 		9 THR L   1
ALA L  20
THR L  21
ALA L  27
VAL L  31
LYS L  33
ALA L  46
ALA L  49
SER L 131
 None
 0.60A 3mg0K-3wxrL:
37.8
3mg0L-3wxrL:
23.3		 3mg0K-3wxrL:
100.00
3mg0L-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) 		5 THR L   1
ALA L  22
ALA L  46
GLY L  47
SER L 131
 None
 0.94A 3mg0K-3wxrL:
37.8
3mg0L-3wxrL:
23.3		 3mg0K-3wxrL:
100.00
3mg0L-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.
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
 0.58A 3mg0K-4g4eA:
21.0
3mg0L-4g4eA:
17.7		 3mg0K-4g4eA:
28.05
3mg0L-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
 1.34A 3mg0K-4gp1A:
undetectable
3mg0L-4gp1A:
undetectable		 3mg0K-4gp1A:
20.11
3mg0L-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
 0.75A 3mg0K-4ho7A:
20.9
3mg0L-4ho7A:
17.1		 3mg0K-4ho7A:
23.26
3mg0L-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.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 ALA A 180
ALA A 183
VAL A 201
ALA A 198
SER A 148
 None
 0.96A 3mg0K-4isyA:
undetectable
3mg0L-4isyA:
undetectable		 3mg0K-4isyA:
19.71
3mg0L-4isyA:
18.36
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 THR A  79
ALA A  74
ALA A  73
ALA A  29
GLY A  28
 None
 0.95A 3mg0K-4lgnA:
undetectable
3mg0L-4lgnA:
undetectable		 3mg0K-4lgnA:
14.77
3mg0L-4lgnA:
15.11
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 THR A  67
ALA A  68
VAL A  48
ALA A  59
GLY A  60
 None
 0.96A 3mg0K-4llsA:
undetectable
3mg0L-4llsA:
undetectable		 3mg0K-4llsA:
19.87
3mg0L-4llsA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n01 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ALA A 125
THR A 126
VAL A 147
ALA A  84
GLY A  85
 None
 0.92A 3mg0K-4n01A:
undetectable
3mg0L-4n01A:
undetectable		 3mg0K-4n01A:
20.64
3mg0L-4n01A:
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.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 210
ALA A 184
VAL A 189
ALA A 230
GLY A 229
 None
 0.94A 3mg0K-4oaqA:
undetectable
3mg0L-4oaqA:
undetectable		 3mg0K-4oaqA:
20.80
3mg0L-4oaqA:
22.38
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) 		10 THR K   1
ALA K  20
THR K  21
ALA K  27
VAL K  31
LYS K  33
ALA K  46
GLY K  47
ALA K  49
SER K 131
 None
 0.52A 3mg0K-4qv9K:
38.3
3mg0L-4qv9K:
23.5		 3mg0K-4qv9K:
99.53
3mg0L-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.
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)
 0.87A 3mg0K-4xdtA:
undetectable
3mg0L-4xdtA:
3.1		 3mg0K-4xdtA:
20.67
3mg0L-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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A 418
THR A 419
VAL A 356
ALA A 411
GLY A 412
 None
 0.96A 3mg0K-5a8rA:
undetectable
3mg0L-5a8rA:
undetectable		 3mg0K-5a8rA:
18.05
3mg0L-5a8rA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ALA A 184
THR A 183
ALA A 181
GLY A 189
ALA A 148
 None
 0.93A 3mg0K-5d8wA:
undetectable
3mg0L-5d8wA:
undetectable		 3mg0K-5d8wA:
20.82
3mg0L-5d8wA:
22.89
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.
5ddb MENIN

(Homo sapiens) 		PF05053
(Menin) 		5 ALA A 158
ALA A 182
VAL A 196
ALA A 164
GLY A 163
 None
59Q  A 601 (-3.7A)
None
None
None
 0.89A 3mg0K-5ddbA:
undetectable
3mg0L-5ddbA:
undetectable		 3mg0K-5ddbA:
17.41
3mg0L-5ddbA:
14.85
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 ALA A 223
VAL A  66
ALA A 214
ALA A 212
SER A 217
 None
None
None
AKG  A 301 (-3.4A)
None
 0.92A 3mg0K-5epaA:
undetectable
3mg0L-5epaA:
undetectable		 3mg0K-5epaA:
23.10
3mg0L-5epaA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.49A 3mg0K-5fg9H:
27.7
3mg0L-5fg9H:
23.4		 3mg0K-5fg9H:
29.22
3mg0L-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 3mg0K-5fmgI:
27.9
3mg0L-5fmgI:
23.8		 3mg0K-5fmgI:
26.29
3mg0L-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)
 0.94A 3mg0K-5fmgI:
27.9
3mg0L-5fmgI:
23.8		 3mg0K-5fmgI:
26.29
3mg0L-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)
 0.74A 3mg0K-5fmgI:
27.9
3mg0L-5fmgI:
23.8		 3mg0K-5fmgI:
26.29
3mg0L-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)
 0.68A 3mg0K-5fmgI:
27.9
3mg0L-5fmgI:
23.8		 3mg0K-5fmgI:
26.29
3mg0L-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
 0.74A 3mg0K-5fmgL:
28.4
3mg0L-5fmgL:
23.9		 3mg0K-5fmgL:
47.89
3mg0L-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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 THR A 228
ALA A 231
ALA A 188
GLY A 204
SER A 207
 None
 0.93A 3mg0K-5gndA:
undetectable
3mg0L-5gndA:
undetectable		 3mg0K-5gndA:
18.96
3mg0L-5gndA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 3mg0K-5i51A:
undetectable
3mg0L-5i51A:
undetectable		 3mg0K-5i51A:
14.29
3mg0L-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
 0.81A 3mg0K-5idqA:
undetectable
3mg0L-5idqA:
undetectable		 3mg0K-5idqA:
22.69
3mg0L-5idqA:
21.86
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) 		10 THR K   1
ALA K  20
THR K  21
ALA K  27
VAL K  31
LYS K  33
ALA K  46
GLY K  47
ALA K  49
SER K 130
 None
 0.67A 3mg0K-5l5wK:
37.2
3mg0L-5l5wK:
23.7		 3mg0K-5l5wK:
82.55
3mg0L-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
 1.32A 3mg0K-5l5wK:
37.2
3mg0L-5l5wK:
23.7		 3mg0K-5l5wK:
82.55
3mg0L-5l5wK:
23.93
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 THR A 148
ALA A 149
VAL A  13
ALA A 140
GLY A 141
 None
 0.97A 3mg0K-5lunA:
undetectable
3mg0L-5lunA:
undetectable		 3mg0K-5lunA:
18.36
3mg0L-5lunA:
20.51
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)
 1.06A 3mg0K-5m2bK:
37.6
3mg0L-5m2bK:
24.0		 3mg0K-5m2bK:
76.89
3mg0L-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) 		7 THR K   1
ALA K  20
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)
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)
 0.55A 3mg0K-5m2bK:
37.6
3mg0L-5m2bK:
24.0		 3mg0K-5m2bK:
76.89
3mg0L-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.
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)
 0.44A 3mg0K-5ovtA:
18.1
3mg0L-5ovtA:
14.8		 3mg0K-5ovtA:
18.96
3mg0L-5ovtA:
16.91
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.
5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE

(Cupriavidus
metallidurans) 		no annotation 5 THR A   1
THR A  21
LYS A  36
GLY A  49
SER A 138
 None
 0.95A 3mg0K-5ovuA:
16.4
3mg0L-5ovuA:
14.4		 3mg0K-5ovuA:
21.32
3mg0L-5ovuA:
16.20
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) 		8 THR R   1
ALA R  20
ALA R  27
VAL R  31
LYS R  33
ALA R  46
GLY R  47
SER R 130
 None
 0.90A 3mg0K-5t0gR:
32.0
3mg0L-5t0gR:
23.9		 3mg0K-5t0gR:
65.38
3mg0L-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) 		8 THR R   1
ALA R  20
THR R  21
ALA R  27
VAL R  31
LYS R  33
ALA R  46
SER R 130
 None
 0.95A 3mg0K-5t0gR:
32.0
3mg0L-5t0gR:
23.9		 3mg0K-5t0gR:
65.38
3mg0L-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) 		8 THR R   1
ALA R  20
THR R  21
VAL R  31
LYS R  33
ALA R  46
ALA R  49
SER R 130
 None
 1.08A 3mg0K-5t0gR:
32.0
3mg0L-5t0gR:
23.9		 3mg0K-5t0gR:
65.38
3mg0L-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) 		8 THR R   1
ALA R  20
VAL R  31
LYS R  33
ALA R  46
GLY R  47
ALA R  49
SER R 130
 None
 0.95A 3mg0K-5t0gR:
32.0
3mg0L-5t0gR:
23.9		 3mg0K-5t0gR:
65.38
3mg0L-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
 0.77A 3mg0K-5t0hO:
27.1
3mg0L-5t0hO:
24.3		 3mg0K-5t0hO:
28.69
3mg0L-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 ALA O  20
LYS O  33
ALA O  46
GLY O  47
ALA O  49
 None
 0.88A 3mg0K-5t0hO:
27.1
3mg0L-5t0hO:
24.3		 3mg0K-5t0hO:
28.69
3mg0L-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
 0.89A 3mg0K-5t0hO:
27.1
3mg0L-5t0hO:
24.3		 3mg0K-5t0hO:
28.69
3mg0L-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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ALA A 139
VAL A 161
ALA A 155
GLY A 154
ALA A 143
 None
 0.94A 3mg0K-5t5qA:
undetectable
3mg0L-5t5qA:
undetectable		 3mg0K-5t5qA:
20.96
3mg0L-5t5qA:
22.85
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.
5vf3 CAPSID VERTEX
PROTEIN GP24

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ALA a 278
ALA a 274
VAL a 418
ALA a 246
GLY a 247
 None
 0.96A 3mg0K-5vf3a:
undetectable
3mg0L-5vf3a:
undetectable		 3mg0K-5vf3a:
19.47
3mg0L-5vf3a:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 ALA R  20
THR R  21
ALA R  27
VAL R  31
LYS R  33
GLY R  48
 None
 0.77A 3mg0K-5vfrR:
32.8
3mg0L-5vfrR:
23.7		 3mg0K-5vfrR:
undetectable
3mg0L-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 8 THR R   1
ALA R  20
ALA R  27
VAL R  31
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.81A 3mg0K-5vfrR:
32.8
3mg0L-5vfrR:
23.7		 3mg0K-5vfrR:
undetectable
3mg0L-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 9 THR R   1
ALA R  20
THR R  21
ALA R  27
VAL R  31
LYS R  33
GLY R  47
ALA R  49
SER R 130
 None
 0.77A 3mg0K-5vfrR:
32.8
3mg0L-5vfrR:
23.7		 3mg0K-5vfrR:
undetectable
3mg0L-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 3mg0K-5vj7A:
undetectable
3mg0L-5vj7A:
undetectable		 3mg0K-5vj7A:
17.44
3mg0L-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.
5vqh TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN HOMOLOG

(Bombyx mori) 		PF00567
(TUDOR) 		5 ALA A  61
ALA A  72
VAL A 102
GLY A  67
ASP A  98
 None
None
None
None
2MR  A 501 (-2.8A)
 0.96A 3mg0K-5vqhA:
undetectable
3mg0L-5vqhA:
undetectable		 3mg0K-5vqhA:
22.43
3mg0L-5vqhA:
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 5 THR A 302
ALA A 149
VAL A 177
ALA A 441
GLY A 442
 HEM  A 504 (-4.3A)
None
None
HEM  A 504 (-3.5A)
None
 0.92A 3mg0K-5xxiA:
undetectable
3mg0L-5xxiA:
undetectable		 3mg0K-5xxiA:
20.44
3mg0L-5xxiA:
18.84
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 8 ALA B  20
THR B  21
ALA B  27
LYS B  33
ALA B  46
GLY B  47
ALA B  49
SER B 129
 None
 0.57A 3mg0K-6avoB:
21.1
3mg0L-6avoB:
21.2		 3mg0K-6avoB:
20.44
3mg0L-6avoB:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 8 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
ALA B  46
GLY B  47
SER B 129
 None
 0.61A 3mg0K-6avoB:
21.1
3mg0L-6avoB:
21.2		 3mg0K-6avoB:
20.44
3mg0L-6avoB:
18.66
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-8

(Homo sapiens) 		no annotation 6 THR C   1
ALA C  20
ALA C  28
GLY C  47
ALA C  49
SER C 130
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.4A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
None
 1.07A 3mg0K-6avoC:
34.3
3mg0L-6avoC:
24.9		 3mg0K-6avoC:
66.25
3mg0L-6avoC:
17.37
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-8

(Homo sapiens) 		no annotation 7 THR C   1
ALA C  20
VAL C  31
LYS C  33
GLY C  47
ALA C  49
SER C 130
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
None
 0.61A 3mg0K-6avoC:
34.3
3mg0L-6avoC:
24.9		 3mg0K-6avoC:
66.25
3mg0L-6avoC:
17.37
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
LYS A  33
GLY A  47
ALA A  49
SER A 129
 None
 0.51A 3mg0K-6avoA:
25.1
3mg0L-6avoA:
25.8		 3mg0K-6avoA:
20.28
3mg0L-6avoA:
17.57
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 211
THR A 221
ALA A 222
ALA A 190
ASP A 188
 None
 0.89A 3mg0K-6bm8A:
undetectable
3mg0L-6bm8A:
undetectable		 3mg0K-6bm8A:
15.09
3mg0L-6bm8A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 5 ALA A  59
THR A  60
VAL A  21
ALA A  44
GLY A  43
 None
None
EDO  A 304 ( 4.2A)
None
None
 0.95A 3mg0K-6cg6A:
undetectable
3mg0L-6cg6A:
undetectable		 3mg0K-6cg6A:
18.23
3mg0L-6cg6A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 ALA I  56
ALA I  59
VAL I  95
GLY I  80
SER I  83
 None
 0.95A 3mg0K-6esqI:
undetectable
3mg0L-6esqI:
undetectable		 3mg0K-6esqI:
15.57
3mg0L-6esqI:
17.59