SIMILAR PATTERNS OF AMINO ACIDS FOR 1WG8_A_SAMA3142_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLY A 363
GLY A 367
GLN A 214
SER A 361
ARG A 260
 None
 1.11A 1wg8A-1atiA:
undetectable		 1wg8A-1atiA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)

(Thermococcus
kodakarensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLY A 365
GLY A 366
GLY A 404
ASP A 354
SER A 364
 None
None
None
MN  A 601 ( 3.8A)
MN  A 601 ( 2.3A)
 1.18A 1wg8A-1b8aA:
undetectable		 1wg8A-1b8aA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 165
GLY A 347
GLY A 348
GLY A 193
HIS A 307
 None
 1.22A 1wg8A-1e5mA:
undetectable		 1wg8A-1e5mA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fy2 ASPARTYL DIPEPTIDASE

(Salmonella
enterica) 		PF03575
(Peptidase_S51) 		5 THR A  90
GLY A  87
GLY A  86
GLY A 118
PHE A  91
 None
 1.22A 1wg8A-1fy2A:
2.4		 1wg8A-1fy2A:
26.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLY A 363
GLY A 367
GLN A 214
SER A 361
ARG A 260
 GAP  A1550 (-2.7A)
None
None
GAP  A1550 ( 2.4A)
None
 1.08A 1wg8A-1ggmA:
undetectable		 1wg8A-1ggmA:
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 THR A 459
GLY A 441
GLY A 440
GLY A 439
HIS A 388
 None
None
None
None
SO4  A 603 (-3.7A)
 1.22A 1wg8A-1gq1A:
undetectable		 1wg8A-1gq1A:
20.46
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H  45
GLY H  47
GLY H 128
ASP H  51
SER H  48
 None
CIB  H1001 (-4.4A)
None
None
CIB  H1001 (-4.2A)
 1.23A 1wg8A-1j2qH:
undetectable		 1wg8A-1j2qH:
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 GLY A 558
GLY A  24
GLY A  27
ASP A 479
HIS A 566
 None
 1.18A 1wg8A-1l1lA:
undetectable		 1wg8A-1l1lA:
17.23
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 THR A  17
GLY A  46
GLY A  45
GLY A  43
MET A   1
 SAH  A 801 (-3.7A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
None
 1.22A 1wg8A-1l3iA:
18.7		 1wg8A-1l3iA:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		6 PRO A  10
THR A  32
GLY A  34
GLY A  36
MET A 130
ARG A 282
 SAH  A 401 ( 4.2A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.8A)
 1.11A 1wg8A-1m6yA:
36.5		 1wg8A-1m6yA:
48.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		7 PRO A  10
THR A  32
GLY A  34
GLY A  37
ASP A  57
MET A 130
ARG A 282
 SAH  A 401 ( 4.2A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.3A)
None
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.8A)
 0.80A 1wg8A-1m6yA:
36.5		 1wg8A-1m6yA:
48.50
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.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 PRO A 113
GLY A 105
GLY A 104
GLY A 102
GLN A 222
 None
GLC  A 253 ( 3.8A)
None
None
FRU  A 254 (-4.7A)
 1.23A 1wg8A-1n3pA:
undetectable		 1wg8A-1n3pA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 THR A 368
GLY A 394
GLY A 395
GLY A 178
SER A 335
 None
None
None
OMN  A 601 (-3.6A)
None
 1.19A 1wg8A-1sezA:
3.0		 1wg8A-1sezA:
21.53
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.
1sgq STREPTOMYCES GRISEUS
PROTEINASE B

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 GLY E 196
GLY E 140
GLN E 229
ASP E 102
SER E 214
 None
 1.19A 1wg8A-1sgqE:
undetectable		 1wg8A-1sgqE:
17.54
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.
1tly NUCLEOSIDE-SPECIFIC
CHANNEL-FORMING
PROTEIN TSX

(Escherichia
coli) 		PF03502
(Channel_Tsx) 		5 GLY A 261
GLY A 263
GLN A 241
ASP A 238
SER A 259
 None
 1.04A 1wg8A-1tlyA:
undetectable		 1wg8A-1tlyA:
18.93
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  17
GLY A  14
GLY A  42
ASP A  94
SER A  19
 None
UMA  A 963 ( 3.7A)
None
UMA  A 963 ( 4.9A)
None
 1.08A 1wg8A-1uagA:
3.1		 1wg8A-1uagA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		12 PRO A   8
THR A  30
GLY A  32
GLY A  33
GLY A  35
GLN A  52
ASP A  53
PHE A  75
SER A 100
HIS A 103
MET A 123
ARG A 271
 SAM  A3142 (-4.1A)
SAM  A3142 (-3.8A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.1A)
SAM  A3142 (-3.9A)
None
SAM  A3142 (-3.2A)
SAM  A3142 (-4.1A)
SAM  A3142 (-4.4A)
SAM  A3142 (-3.5A)
SAM  A3142 (-3.2A)
 0.05A 1wg8A-1wg8A:
49.9		 1wg8A-1wg8A:
100.00
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.
1wrm DUAL SPECIFICITY
PHOSPHATASE 22

(Homo sapiens) 		PF00782
(DSPc) 		5 GLY A  91
GLY A  15
GLN A  61
ASP A  57
SER A  93
 MES  A 164 (-4.1A)
None
None
MES  A 164 (-3.6A)
MES  A 164 (-4.2A)
 1.14A 1wg8A-1wrmA:
undetectable		 1wg8A-1wrmA:
21.11
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 THR A 344
GLY A 138
GLY A 137
SER A 140
MET A 185
 None
ANP  A 395 (-2.9A)
ANP  A 395 (-4.6A)
ANP  A 395 ( 3.1A)
None
 1.15A 1wg8A-1wuuA:
undetectable		 1wg8A-1wuuA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A  74
GLY A  75
GLY A 130
PHE A 155
HIS A  13
 SF4  A 267 ( 4.9A)
None
None
None
None
 1.04A 1wg8A-1yq9A:
undetectable		 1wg8A-1yq9A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zcm CALPAIN 1, LARGE
[CATALYTIC] SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2) 		5 THR A 210
GLY A 208
GLY A 207
GLY A 113
PHE A 214
 C1N  A1115 (-4.7A)
C1N  A1115 (-3.5A)
C1N  A1115 (-3.3A)
C1N  A1115 (-3.1A)
None
 1.08A 1wg8A-1zcmA:
undetectable		 1wg8A-1zcmA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 GLY A 155
GLY A 156
GLY A 144
GLN A  93
HIS A 150
 None
 0.98A 1wg8A-2apsA:
undetectable		 1wg8A-2apsA:
18.47
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 THR A1340
GLY A 983
GLY A1337
GLN A 988
MET A 989
 None
 1.05A 1wg8A-2b39A:
undetectable		 1wg8A-2b39A:
10.82
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 PRO A 270
GLY A 476
GLY A 477
GLY A 482
ARG A 182
 None
 1.23A 1wg8A-2d4eA:
4.1		 1wg8A-2d4eA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		5 THR A  24
GLY A  37
GLY A  38
GLY A  21
ASP A 102
 None
 1.07A 1wg8A-2e47A:
undetectable		 1wg8A-2e47A:
23.35
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 138
GLY A 164
GLY A 165
ASP A 143
SER A 272
 None
 1.15A 1wg8A-2hlpA:
5.6		 1wg8A-2hlpA:
24.93
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 PRO A 445
GLY A 690
GLY A 689
GLY A 660
SER A 691
 None
 1.19A 1wg8A-2ipcA:
undetectable		 1wg8A-2ipcA:
16.37
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.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		5 GLY A 130
GLN A  19
ASP A  20
HIS A  23
ARG A 136
 None
None
FMT  A1003 (-3.7A)
None
None
 1.18A 1wg8A-2is8A:
2.8		 1wg8A-2is8A:
24.39
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 GLY A 127
GLY A 126
GLY A 132
PHE A 184
SER A 121
 None
 1.22A 1wg8A-2jf7A:
undetectable		 1wg8A-2jf7A:
21.06
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.
2l0a SIGNAL TRANSDUCING
ADAPTER MOLECULE 1

(Homo sapiens) 		PF00018
(SH3_1) 		5 THR A  43
GLY A  55
GLY A  62
GLY A  60
ASP A  46
 None
 1.19A 1wg8A-2l0aA:
undetectable		 1wg8A-2l0aA:
11.50
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.
2lt5 PROTEIN P-30

(Rana pipiens) 		PF00074
(RnaseA) 		5 GLY A  35
GLY A  36
GLY A  38
PHE A  26
SER A  34
 None
 1.18A 1wg8A-2lt5A:
undetectable		 1wg8A-2lt5A:
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.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		5 THR A 210
GLY A 208
GLY A 207
GLY A 113
PHE A 214
 None
NQI  A 501 (-3.8A)
NQI  A 501 (-3.2A)
NQI  A 501 (-3.1A)
None
 1.12A 1wg8A-2nqiA:
undetectable		 1wg8A-2nqiA:
22.82
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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		5 THR A 160
GLY A 184
GLY A 205
GLY A 203
ASP A 164
 None
 1.19A 1wg8A-2ntbA:
undetectable		 1wg8A-2ntbA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obn HYPOTHETICAL PROTEIN

(Trichormus
variabilis) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		5 THR A 287
GLY A 292
GLY A 293
GLY A 296
ARG A 249
 None
 1.22A 1wg8A-2obnA:
undetectable		 1wg8A-2obnA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oud DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00782
(DSPc) 		5 GLY A 411
GLY A 332
GLN A 381
ASP A 377
SER A 413
 None
None
None
CL  A   1 ( 4.9A)
None
 1.08A 1wg8A-2oudA:
undetectable		 1wg8A-2oudA:
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		5 GLY A 200
GLY A 199
GLY A 197
ASP A 374
PHE A 332
 None
 1.13A 1wg8A-2pb0A:
3.3		 1wg8A-2pb0A:
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.
2pfe ALKALINE SERINE
PROTEASE

(Thermobifida
fusca) 		PF00089
(Trypsin) 		5 THR A 178
GLY A 175
GLN A 229
ASP A 102
MET A 103
 None
 1.19A 1wg8A-2pfeA:
undetectable		 1wg8A-2pfeA:
18.75
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 GLY A 116
GLY A 118
GLY A 169
GLN A 177
PHE A 180
 None
 1.17A 1wg8A-2qgmA:
undetectable		 1wg8A-2qgmA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 PRO A  15
THR A 149
GLY A 129
GLY A 131
SER A 152
 None
None
None
None
F6P  A 501 (-2.9A)
 1.06A 1wg8A-2r66A:
4.1		 1wg8A-2r66A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		5 GLY A 148
GLY A 107
GLN A 177
ASP A  65
SER A 162
 None
 1.21A 1wg8A-2sfaA:
undetectable		 1wg8A-2sfaA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A 480
GLY A1029
GLY A1031
PHE A 778
SER A1027
 None
FMN  A2474 (-3.3A)
AKG  A2475 ( 3.9A)
None
FMN  A2474 ( 4.9A)
 1.20A 1wg8A-2vdcA:
undetectable		 1wg8A-2vdcA:
11.82
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.
2wkw CARBOXYLESTERASE

(Alcaligenes sp.) 		no annotation 5 PRO A 231
GLY A  70
GLY A 209
PHE A 134
MET A 172
 None
W22  A 577 ( 4.0A)
None
None
None
 1.00A 1wg8A-2wkwA:
3.4		 1wg8A-2wkwA:
23.43
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A  54
GLY A  51
ASP A 407
HIS A 395
ARG A 286
 None
TEO  A1589 ( 3.1A)
None
None
TEO  A1589 (-2.9A)
 1.18A 1wg8A-2wu5A:
3.2		 1wg8A-2wu5A:
20.61
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 PRO A 121
GLY A  66
ASP A 155
PHE A 425
SER A  67
 None
None
None
ADN  A 500 (-4.8A)
None
 1.22A 1wg8A-3ce6A:
3.9		 1wg8A-3ce6A:
22.63
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 PRO A 105
GLY A  59
ASP A 138
PHE A 403
SER A  60
 None
 1.21A 1wg8A-3glqA:
5.0		 1wg8A-3glqA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 219
GLY A 218
GLY A 216
PHE A 141
SER A 220
 None
 1.08A 1wg8A-3grfA:
7.0		 1wg8A-3grfA:
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.
3ia0 ETHANOLAMINE
UTILIZATION PROTEIN
EUTS

(Escherichia
coli) 		PF00936
(BMC) 		5 PRO A  12
THR A  51
GLY A  49
ASP A  71
SER A  74
 None
 1.22A 1wg8A-3ia0A:
undetectable		 1wg8A-3ia0A:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 GLY A 411
GLY A 412
GLY A 386
ASP A 295
ARG A 238
 NA  A 436 ( 3.9A)
None
None
None
NA  A 436 ( 4.0A)
 1.15A 1wg8A-3ipoA:
undetectable		 1wg8A-3ipoA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 PRO A4028
THR A3996
GLY A3963
GLY A3966
SER A4024
 None
 0.99A 1wg8A-3kciA:
undetectable		 1wg8A-3kciA:
22.66
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.
3ke3 PUTATIVE
SERINE-PYRUVATE
AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00266
(Aminotran_5) 		5 GLY A 178
GLY A 199
GLY A 354
SER A 177
HIS A 142
 None
LLP  A 198 ( 2.4A)
LLP  A 198 ( 4.8A)
None
None
 1.24A 1wg8A-3ke3A:
2.9		 1wg8A-3ke3A:
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.
3m5u PHOSPHOSERINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00266
(Aminotran_5) 		5 GLY A  74
GLY A 197
ASP A 167
PHE A 202
SER A 169
 MES  A 362 (-3.4A)
None
MES  A 362 (-3.1A)
None
MES  A 362 (-3.2A)
 1.23A 1wg8A-3m5uA:
undetectable		 1wg8A-3m5uA:
21.83
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		5 GLY A 249
GLY A 235
ASP A 135
SER A  32
ARG A  37
 None
 1.17A 1wg8A-3mmlA:
undetectable		 1wg8A-3mmlA:
22.87
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 PRO A  98
GLY A  52
ASP A 131
PHE A 396
SER A  53
 None
 1.22A 1wg8A-3n58A:
4.1		 1wg8A-3n58A:
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 PRO A 290
GLY A 126
GLY A 127
ASP A 284
PHE A  42
 None
 0.90A 1wg8A-3nioA:
undetectable		 1wg8A-3nioA:
21.18
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.
3nt8 ANCYLOSTOMA SECRETED
PROTEIN 1

(Necator
americanus) 		PF00188
(CAP) 		5 THR A 360
GLY A 391
GLY A 390
GLY A 305
HIS A 396
 None
 1.20A 1wg8A-3nt8A:
undetectable		 1wg8A-3nt8A:
20.81
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.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 THR A 115
GLY A  90
GLY A  12
ASP A 170
PHE A 150
 None
 1.18A 1wg8A-3ntxA:
undetectable		 1wg8A-3ntxA:
23.18
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  17
GLY A  16
GLY A 304
PHE A   9
SER A  13
 None
FAD  A 500 (-3.5A)
FAD  A 500 (-3.3A)
None
FAD  A 500 ( 4.4A)
 1.20A 1wg8A-3o0hA:
3.6		 1wg8A-3o0hA:
22.63
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 THR A  83
GLY A 156
GLY A 155
GLY A 153
ASP A 200
 None
 1.23A 1wg8A-3oajA:
undetectable		 1wg8A-3oajA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ol2 SEMAPHORIN-4D
PLEXIN-B1

(Homo sapiens;
Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI)
PF01403
(Sema)
PF01437
(PSI) 		5 GLY B 178
GLY B 179
GLY B 180
ASP B  78
PHE A 393
 None
 1.15A 1wg8A-3ol2B:
undetectable		 1wg8A-3ol2B:
22.78
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 THR A 134
GLY A 123
GLY A 124
GLY A 127
PHE A 159
 None
None
NAD  A 299 ( 4.1A)
None
None
 1.02A 1wg8A-3q3cA:
5.9		 1wg8A-3q3cA:
25.87
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A   9
GLY A  91
GLY A  89
GLN A 475
ASP A  11
 None
 1.14A 1wg8A-3qdkA:
undetectable		 1wg8A-3qdkA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 PRO A 418
GLY A 202
GLY A 527
ASP A 210
ARG A 463
 None
None
None
None
GOL  A 560 (-2.8A)
 1.21A 1wg8A-3rcnA:
undetectable		 1wg8A-3rcnA:
21.51
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 GLY A 453
GLY A 454
GLY A 459
PHE A 114
HIS A 437
 None
 1.21A 1wg8A-3rh9A:
3.8		 1wg8A-3rh9A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 PRO A 371
GLY A 190
GLY A 191
ASP A 365
MET A 364
 None
 1.19A 1wg8A-3sl1A:
undetectable		 1wg8A-3sl1A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t57 UDP-N-ACETYLGLUCOSAM
INE
O-ACYLTRANSFERASE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 PRO A 106
GLY A 135
ASP A 129
SER A 158
HIS A 180
 None
 1.19A 1wg8A-3t57A:
undetectable		 1wg8A-3t57A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfj GCVT-LIKE
AMINOMETHYLTRANSFERA
SE PROTEIN

(Candidatus
Pelagibacter
ubique) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 202
GLY A 201
GLY A 157
PHE A 168
SER A 195
 None
None
None
None
THG  A 370 ( 4.4A)
 1.16A 1wg8A-3tfjA:
undetectable		 1wg8A-3tfjA:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		5 THR A  31
GLY A  33
GLY A  35
PHE A  79
MET A 128
 SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.3A)
 1.10A 1wg8A-3tkaA:
37.7		 1wg8A-3tkaA:
41.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		7 THR A  31
GLY A  33
GLY A  36
ASP A  57
PHE A  79
SER A 105
MET A 128
 SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.1A)
None
SAM  A 400 (-3.2A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.3A)
 0.60A 1wg8A-3tkaA:
37.7		 1wg8A-3tkaA:
41.13
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 GLY A 106
GLY A 105
GLY A 110
PHE A 163
SER A 100
 None
 1.07A 1wg8A-3u5uA:
undetectable		 1wg8A-3u5uA:
18.91
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 GLY A 106
GLY A 105
GLY A 111
PHE A 163
SER A 100
 None
 1.21A 1wg8A-3u5uA:
undetectable		 1wg8A-3u5uA:
18.91
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 470
GLY A 468
ASP A 203
PHE A 227
SER A 473
 None
 0.97A 1wg8A-3vrbA:
3.3		 1wg8A-3vrbA:
18.51
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		5 GLY A 310
GLY A 313
PHE A 244
SER A 256
HIS A 259
 None
None
None
None
BMA  A 502 (-4.2A)
 1.20A 1wg8A-3wkhA:
undetectable		 1wg8A-3wkhA:
24.58
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A  84
GLY A  85
GLY A  87
ASP A  81
HIS A  82
 None
None
None
ZN  A1000 (-2.8A)
ZN  A1000 (-3.4A)
 1.22A 1wg8A-4ad9A:
undetectable		 1wg8A-4ad9A:
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		5 GLY A 465
GLY A 464
ASP A 337
PHE A 449
SER A 467
 None
None
EDO  A1602 ( 3.3A)
None
EDO  A1602 (-4.0A)
 1.24A 1wg8A-4amfA:
undetectable		 1wg8A-4amfA:
20.03
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 GLY A  17
GLY A  18
GLY A  14
ASP A 313
HIS A 297
 FAD  A1398 (-3.3A)
None
FAD  A1398 ( 4.6A)
None
None
 1.16A 1wg8A-4bk1A:
2.6		 1wg8A-4bk1A:
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 PRO A 168
THR A 127
GLY A  41
GLY A 117
GLY A 119
 None
EDO  A 306 (-4.7A)
EDO  A 306 (-3.5A)
None
None
 1.23A 1wg8A-4ehcA:
undetectable		 1wg8A-4ehcA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 GLY A  71
GLY A  64
GLY A  66
PHE A 376
SER A  60
 None
 1.14A 1wg8A-4iglA:
undetectable		 1wg8A-4iglA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 128
GLY A 130
GLY A 131
GLY A 156
ASP A 138
 None
 1.14A 1wg8A-4ihcA:
undetectable		 1wg8A-4ihcA:
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 GLY A 199
GLY A 198
GLN A 221
ASP A 222
PHE A 218
 None
None
TRS  A 500 (-3.7A)
TRS  A 500 (-4.9A)
None
 1.20A 1wg8A-4l7zA:
undetectable		 1wg8A-4l7zA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 PRO A 101
GLY A  55
ASP A 134
PHE A 401
SER A  56
 None
None
None
ADN  A 501 (-4.8A)
None
 1.21A 1wg8A-4lvcA:
4.3		 1wg8A-4lvcA:
21.54
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 PRO A 276
GLY A 111
GLY A 112
ASP A 270
MET A 269
 None
 0.94A 1wg8A-4mynA:
5.8		 1wg8A-4mynA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Desulfovibrio
fructosivorans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A  76
GLY A  77
GLY A 132
PHE A 154
HIS A  13
 SF4  A1267 ( 4.9A)
None
None
None
None
 1.03A 1wg8A-4ucwA:
undetectable		 1wg8A-4ucwA:
22.47
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 GLY A 155
GLY A 156
GLY A 225
HIS A 171
ARG A 403
 None
 1.13A 1wg8A-4w1wA:
undetectable		 1wg8A-4w1wA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xv0 BETA-XYLANASE

(Trichoderma
reesei) 		PF00331
(Glyco_hydro_10) 		5 THR A 291
GLY A 260
GLY A 259
GLY A 257
GLN A 298
 None
 1.18A 1wg8A-4xv0A:
undetectable		 1wg8A-4xv0A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 314
GLY A 313
GLY A 312
SER A 186
ARG A 185
 None
None
4VN  A 402 ( 3.9A)
None
None
 1.10A 1wg8A-5bqsA:
undetectable		 1wg8A-5bqsA:
21.49
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 391
GLY A 393
GLY A 394
GLY A 370
PHE A 189
 KCX  A 191 ( 2.9A)
None
None
None
KCX  A 191 ( 4.0A)
 0.70A 1wg8A-5c2cA:
undetectable		 1wg8A-5c2cA:
20.89
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 PRO A 323
GLY A 355
GLY A 354
PHE A 147
SER A 312
 None
 1.23A 1wg8A-5dm3A:
undetectable		 1wg8A-5dm3A:
22.68
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.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 PRO A 177
THR A 261
GLY A 219
GLY A 221
GLN A 259
 None
 0.95A 1wg8A-5g56A:
undetectable		 1wg8A-5g56A:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5grs STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A 808
ASP A 810
PHE A 854
SER A 822
MET A 811
 None
 1.21A 1wg8A-5grsA:
undetectable		 1wg8A-5grsA:
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 392
GLY A 394
GLY A 395
GLY A 371
PHE A 190
 KCX  A 192 ( 3.1A)
CAP  A 500 (-3.4A)
CAP  A 500 (-3.7A)
CAP  A 500 (-3.4A)
KCX  A 192 ( 4.0A)
 0.85A 1wg8A-5hqlA:
undetectable		 1wg8A-5hqlA:
22.29
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		5 THR A 451
GLY A 444
GLY A 447
GLY A 240
ARG A 417
 GOL  A1010 (-3.4A)
None
None
None
None
 1.19A 1wg8A-5j78A:
4.0		 1wg8A-5j78A:
21.18
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.
5k59 UNCHARACTERIZED
LEUKOCIDIN-LIKE
PROTEIN 1

(Staphylococcus
aureus) 		no annotation 5 THR B 222
GLY B 226
GLY B  62
GLY B  64
GLN B 149
 None
 1.06A 1wg8A-5k59B:
undetectable		 1wg8A-5k59B:
20.70
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.
5la0 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 PRO A 177
THR A 261
GLY A 219
GLY A 221
GLN A 259
 None
 1.05A 1wg8A-5la0A:
undetectable		 1wg8A-5la0A:
20.37
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 THR A  50
GLY A  25
GLY A  67
GLN A  31
PHE A  42
 None
SO4  A 301 (-3.3A)
NA  A 307 ( 4.0A)
None
None
 1.18A 1wg8A-5lhvA:
undetectable		 1wg8A-5lhvA:
25.00
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.
5sga PROTEINASE A (SGPA)

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 GLY E 196
GLY E 140
GLN E 229
ASP E 102
SER E 214
 None
 1.22A 1wg8A-5sgaE:
undetectable		 1wg8A-5sgaE:
19.03
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.
5sva DNA REPAIR HELICASE
RAD3

(Saccharomyces
cerevisiae) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 GLY Y  36
GLY Y  35
PHE Y 234
SER Y 454
ARG Y  67
 None
 1.16A 1wg8A-5svaY:
2.0		 1wg8A-5svaY:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 PRO A 626
GLY A 629
GLY A 551
GLY A 547
ASP A 633
 None
 1.12A 1wg8A-5svcA:
undetectable		 1wg8A-5svcA:
16.04
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.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 186
GLY A 190
GLY A 108
PHE A 473
SER A 212
 None
None
7BZ  A 601 ( 3.6A)
None
None
 1.13A 1wg8A-5thmA:
undetectable		 1wg8A-5thmA:
19.59
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 PRO A 102
GLY A  56
ASP A 135
PHE A 404
SER A  57
 None
None
None
ADN  A 502 (-4.9A)
None
 1.21A 1wg8A-5v96A:
2.9		 1wg8A-5v96A:
20.91
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.
5vgr ATLASTIN-3

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		5 THR A 261
GLY A 228
GLY A 227
GLY A 224
ASP A 233
 None
 1.19A 1wg8A-5vgrA:
undetectable		 1wg8A-5vgrA:
21.84