SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZJZ_B_BEZB601_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.
1aa2 BETA-SPECTRIN

(Homo sapiens) 		PF00307
(CH) 		5 ALA A  39
VAL A  22
PHE A  51
ALA A  66
GLY A  34
 None
 1.30A 4zjzB-1aa2A:
undetectable		 4zjzB-1aa2A:
11.66
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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 190
VAL A 142
GLY A 236
ALA A 347
GLY A 188
 None
 1.19A 4zjzB-1b3nA:
undetectable		 4zjzB-1b3nA:
21.01
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.
1b4t PROTEIN (CU/ZN
SUPEROXIDE
DISMUTASE)

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu) 		5 ALA A 121
PRO A 144
GLY A 122
ALA A 140
GLY A  44
 None
 1.37A 4zjzB-1b4tA:
undetectable		 4zjzB-1b4tA:
16.03
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 271
VAL A 127
GLY A 133
ALA A 451
GLY A 455
 FAD  A 600 (-4.7A)
None
FAD  A 600 (-3.4A)
FAD  A 600 ( 3.8A)
None
 1.26A 4zjzB-1bhyA:
2.3		 4zjzB-1bhyA:
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ALA A 560
VAL A 309
GLY A 557
ALA A 139
GLY A 137
 None
 1.43A 4zjzB-1d4eA:
1.1		 4zjzB-1d4eA:
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 255
VAL A 112
GLY A 115
ALA A 253
GLY A  31
 None
 1.24A 4zjzB-1dm3A:
undetectable		 4zjzB-1dm3A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqw OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00215
(OMPdecase) 		5 ALA A 239
PHE A 238
GLY A 236
ALA A 212
GLY A 214
 None
 1.28A 4zjzB-1dqwA:
undetectable		 4zjzB-1dqwA:
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A  60
VAL A  81
GLY A  34
ALA A  33
GLY A  58
 None
 1.32A 4zjzB-1e8cA:
undetectable		 4zjzB-1e8cA:
22.32
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 146
VAL A  14
GLY A  20
ALA A 325
GLY A 329
 FAD  A 462 (-4.7A)
None
FAD  A 462 (-3.7A)
FAD  A 462 ( 3.7A)
None
 1.28A 4zjzB-1ebdA:
2.2		 4zjzB-1ebdA:
22.42
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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		5 ALA A 162
VAL A 169
GLY A 166
ALA A 136
GLY A 138
 None
 1.39A 4zjzB-1eyyA:
3.0		 4zjzB-1eyyA:
24.83
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 ALA A 103
VAL A   7
GLY A  13
ALA A 308
GLY A 312
 None
None
FAD  A 699 (-3.4A)
FAD  A 699 ( 3.8A)
None
 1.32A 4zjzB-1fcdA:
undetectable		 4zjzB-1fcdA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 ALA A 103
VAL A 101
GLY A  13
ALA A 308
GLY A 312
 None
None
FAD  A 699 (-3.4A)
FAD  A 699 ( 3.8A)
None
 1.13A 4zjzB-1fcdA:
undetectable		 4zjzB-1fcdA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fjj HYPOTHETICAL 17.1
KDA PROTEIN IN
MODC-BIOA INTERGENIC
REGION

(Escherichia
coli) 		PF01161
(PBP) 		5 ALA A 134
VAL A 130
GLY A 136
ALA A 137
GLY A 140
 None
 1.34A 4zjzB-1fjjA:
undetectable		 4zjzB-1fjjA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz2 OVOCLEIDIN-17

(Gallus gallus) 		PF00059
(Lectin_C) 		5 ALA A  71
VAL A  75
PHE A  19
GLY A  70
ALA A  60
 None
None
None
None
SEP  A  61 ( 3.7A)
 1.37A 4zjzB-1gz2A:
undetectable		 4zjzB-1gz2A:
14.12
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 ALA A 484
PRO A 474
GLY A 487
ALA A 488
GLY A 489
 None
 1.24A 4zjzB-1h3gA:
undetectable		 4zjzB-1h3gA:
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.
1iug PUTATIVE ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		5 ALA A 286
VAL A 320
GLY A 135
ALA A 136
GLY A 109
 None
 1.09A 4zjzB-1iugA:
2.9		 4zjzB-1iugA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 167
VAL A 157
GLY A 164
ALA A 345
GLY A 187
 None
 1.28A 4zjzB-1j3nA:
undetectable		 4zjzB-1j3nA:
25.14
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 155
VAL A  25
GLY A  31
ALA A 342
GLY A 346
 FAD  A 499 (-4.5A)
None
FAD  A 499 (-3.7A)
FAD  A 499 ( 3.7A)
None
 1.26A 4zjzB-1k4qA:
undetectable		 4zjzB-1k4qA:
21.99
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.
1kol FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 261
PRO A 299
GLY A 198
ALA A 200
GLY A 174
 NAD  A1403 (-4.9A)
NAD  A1403 (-4.8A)
None
None
None
 1.40A 4zjzB-1kolA:
5.4		 4zjzB-1kolA:
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ALA A 184
VAL A  42
GLY A 185
ALA A 188
GLY A  47
 None
 1.28A 4zjzB-1kplA:
undetectable		 4zjzB-1kplA:
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 149
VAL A   8
GLY A  14
ALA A 329
GLY A 333
 FAD  A 480 (-4.8A)
None
FAD  A 480 (-3.8A)
FAD  A 480 ( 4.0A)
None
 1.26A 4zjzB-1lpfA:
2.5		 4zjzB-1lpfA:
23.38
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.
1mxs KDPG ALDOLASE

(Pseudomonas
putida) 		PF01081
(Aldolase) 		5 VAL A 117
GLY A 136
ALA A 138
GLY A 140
MET A  13
 None
 1.43A 4zjzB-1mxsA:
undetectable		 4zjzB-1mxsA:
19.42
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PRO A 335
VAL A 302
GLY A  18
ALA A  71
GLY A  16
 None
 1.04A 4zjzB-1mzjA:
undetectable		 4zjzB-1mzjA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ALA A  71
VAL A  75
GLY A  70
ALA A 488
GLY A 485
 None
 1.23A 4zjzB-1o99A:
2.8		 4zjzB-1o99A:
22.77
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.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 ALA A  84
VAL A  47
GLY A  82
ALA A  81
GLY A  78
 None
 1.48A 4zjzB-1oh9A:
2.1		 4zjzB-1oh9A:
20.23
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.
1onf GLUTATHIONE
REDUCTASE

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 147
VAL A   6
GLY A  12
ALA A 356
GLY A 360
 None
None
FAD  A 500 (-3.7A)
FAD  A 500 ( 4.1A)
None
 1.23A 4zjzB-1onfA:
2.1		 4zjzB-1onfA:
21.10
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 VAL A  87
PHE A 307
GLY A 306
ALA A 305
GLY A 288
 None
None
None
None
AE1  A 401 ( 4.1A)
 1.32A 4zjzB-1pojA:
undetectable		 4zjzB-1pojA:
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.
1ppr PERIDININ-CHLOROPHYL
L PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		5 ALA M   6
VAL M 145
GLY M   4
ALA M  90
GLY M  93
 None
 1.21A 4zjzB-1pprM:
undetectable		 4zjzB-1pprM:
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.
1ppr PERIDININ-CHLOROPHYL
L PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		5 ALA M 169
VAL M 307
GLY M 167
ALA M 252
GLY M 255
 None
 1.17A 4zjzB-1pprM:
undetectable		 4zjzB-1pprM:
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.
1q18 GLUCOKINASE

(Escherichia
coli) 		PF02685
(Glucokinase) 		5 ALA A 261
VAL A 104
PHE A 101
GLY A 134
ALA A 135
 None
 1.36A 4zjzB-1q18A:
undetectable		 4zjzB-1q18A:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qy9 HYPOTHETICAL PROTEIN
YDDE

(Escherichia
coli) 		PF02567
(PhzC-PhzF) 		5 ALA A 234
PRO A 276
VAL A 279
ALA A 157
GLY A 124
 None
 1.39A 4zjzB-1qy9A:
undetectable		 4zjzB-1qy9A:
22.51
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 ALA A 221
VAL A 236
PHE A 225
GLY A 194
GLY A 191
 None
None
None
ACT  A 421 (-3.4A)
SAM  A 635 ( 3.2A)
 1.10A 4zjzB-1qzzA:
4.0		 4zjzB-1qzzA:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 PRO A 145
VAL A 149
ALA A  62
GLY A  11
MET A 140
 None
 1.34A 4zjzB-1rk2A:
2.8		 4zjzB-1rk2A:
21.61
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 ALA A 160
VAL A 175
PHE A 173
GLY A 133
ALA A 134
 None
None
None
None
SAM  A 301 ( 4.0A)
 1.36A 4zjzB-1sg9A:
3.2		 4zjzB-1sg9A:
21.32
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.
1tqj RIBULOSE-PHOSPHATE
3-EPIMERASE

(Synechocystis
sp.) 		PF00834
(Ribul_P_3_epim) 		5 ALA A  31
PRO A   9
VAL A   7
GLY A  30
ALA A  29
 None
 1.15A 4zjzB-1tqjA:
undetectable		 4zjzB-1tqjA:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 159
VAL A   9
GLY A  15
ALA A 338
GLY A 342
 FAD  A 493 (-4.7A)
None
FAD  A 493 (-3.7A)
FAD  A 493 ( 3.7A)
None
 1.39A 4zjzB-1typA:
undetectable		 4zjzB-1typA:
22.38
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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 161
VAL A  58
GLY A 136
ALA A 280
GLY A 159
 None
 1.35A 4zjzB-1ub7A:
undetectable		 4zjzB-1ub7A:
22.01
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.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 ALA A 171
VAL A 169
PHE A  38
ALA A 175
GLY A 176
 None
 1.15A 4zjzB-1ukrA:
undetectable		 4zjzB-1ukrA:
15.48
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  53
VAL A  85
GLY A 115
ALA A 360
GLY A 359
 None
 1.41A 4zjzB-1ulqA:
undetectable		 4zjzB-1ulqA:
22.32
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 256
VAL A  93
GLY A 253
ALA A  34
GLY A  32
 None
 1.48A 4zjzB-1v6aA:
2.8		 4zjzB-1v6aA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 256
VAL A 136
GLY A 253
ALA A  34
GLY A  32
 None
 1.25A 4zjzB-1v6aA:
2.8		 4zjzB-1v6aA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		5 ALA A 220
VAL A 222
PHE A  52
ALA A 210
GLY A 209
 None
 1.45A 4zjzB-1v72A:
3.1		 4zjzB-1v72A:
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ALA A 445
VAL A 411
GLY A 447
ALA A 406
GLY A 408
 None
 1.45A 4zjzB-1vbgA:
undetectable		 4zjzB-1vbgA:
21.74
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 260
VAL A 115
GLY A 118
ALA A 258
GLY A  34
 None
 1.36A 4zjzB-1wl4A:
undetectable		 4zjzB-1wl4A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		5 ALA A  64
VAL A 131
GLY A  61
ALA A  51
GLY A 185
 None
 1.32A 4zjzB-1wmwA:
undetectable		 4zjzB-1wmwA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 ALA A  84
PHE A  18
GLY A  59
ALA A  58
GLY A  61
 SAH  A1001 ( 4.8A)
SAH  A1001 (-4.3A)
SAH  A1001 (-3.3A)
None
SAH  A1001 (-4.1A)
 1.31A 4zjzB-1wy7A:
2.5		 4zjzB-1wy7A:
19.89
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.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 VAL A  93
PHE A  65
GLY A 103
ALA A 102
GLY A  99
 None
 1.21A 4zjzB-1x1oA:
2.1		 4zjzB-1x1oA:
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 ALA A  67
VAL A  69
GLY A  41
ALA A  20
GLY A  19
 None
None
None
None
AMP  A1002 (-3.5A)
 1.44A 4zjzB-1y1pA:
2.1		 4zjzB-1y1pA:
22.74
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.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 ALA A 436
VAL A 385
GLY A 382
ALA A 360
GLY A 358
 None
 1.29A 4zjzB-1ysrA:
undetectable		 4zjzB-1ysrA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zov MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
NS-129) 		PF01266
(DAO) 		5 ALA A  11
VAL A 167
GLY A  15
ALA A  18
GLY A  19
 None
 1.41A 4zjzB-1zovA:
undetectable		 4zjzB-1zovA:
23.73
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		5 ALA A  75
VAL A 299
GLY A  73
ALA A 278
GLY A 246
 None
 1.19A 4zjzB-1zx5A:
undetectable		 4zjzB-1zx5A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 147
VAL A  11
GLY A  17
ALA A 331
GLY A 335
 FAD  A4750 (-4.8A)
None
FAD  A4750 (-3.6A)
FAD  A4750 ( 3.9A)
None
 1.17A 4zjzB-1zy8A:
undetectable		 4zjzB-1zy8A:
24.04
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 141
VAL A   8
GLY A  14
ALA A 320
GLY A 324
 FAD  A 480 (-4.6A)
None
FAD  A 480 (-4.0A)
FAD  A 480 ( 3.9A)
None
 1.28A 4zjzB-2a8xA:
undetectable		 4zjzB-2a8xA:
22.45
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 PRO C 379
PHE C 355
GLY C 365
ALA C 364
GLY C 362
 None
 1.30A 4zjzB-2advC:
undetectable		 4zjzB-2advC:
21.75
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 431
VAL A 390
GLY A  59
ALA A  56
GLY A 426
 None
 0.93A 4zjzB-2ag1A:
5.5		 4zjzB-2ag1A:
25.49
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 ALA A 186
PRO A 188
VAL A 116
ALA A 184
GLY A 183
 None
 1.47A 4zjzB-2bb0A:
undetectable		 4zjzB-2bb0A:
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.
2bh8 1B11

(Escherichia
coli) 		PF00313
(CSD) 		5 ALA A  28
PRO A  61
PHE A  48
GLY A  31
GLY A  33
 None
 1.38A 4zjzB-2bh8A:
undetectable		 4zjzB-2bh8A:
12.47
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ALA A1039
VAL A1035
PHE A1050
GLY A1040
ALA A1043
 None
 1.41A 4zjzB-2bruA:
undetectable		 4zjzB-2bruA:
22.62
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ALA A  15
PRO A  97
GLY A  43
ALA A  44
GLY A  12
 ADN  A1301 (-3.6A)
None
ADN  A1301 (-3.3A)
ADN  A1301 ( 4.1A)
None
 1.49A 4zjzB-2c49A:
undetectable		 4zjzB-2c49A:
20.49
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 244
PRO A 425
VAL A 454
PHE A 450
GLY A 432
 None
 0.90A 4zjzB-2cgjA:
undetectable		 4zjzB-2cgjA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dbr GLYOXYLATE REDUCTASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PRO A  12
VAL A  14
GLY A 295
ALA A 296
GLY A 299
 None
 1.09A 4zjzB-2dbrA:
6.1		 4zjzB-2dbrA:
20.04
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 ALA A 119
PRO A 345
VAL A 143
GLY A 120
ALA A 173
 None
 1.42A 4zjzB-2dkjA:
4.9		 4zjzB-2dkjA:
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.
2e3d UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 ALA A 118
PRO A  14
VAL A  60
GLY A 114
GLY A  17
 None
 1.37A 4zjzB-2e3dA:
undetectable		 4zjzB-2e3dA:
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 PRO A 470
PHE A 158
GLY A 328
ALA A 329
MET A 387
 None
MPD  A1005 (-4.5A)
None
None
None
 1.03A 4zjzB-2e7zA:
undetectable		 4zjzB-2e7zA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 634
VAL A 688
GLY A 633
ALA A 632
GLY A 613
 None
 1.47A 4zjzB-2ecfA:
undetectable		 4zjzB-2ecfA:
21.57
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 146
VAL A  14
GLY A  20
ALA A 325
GLY A 329
 FAD  A8482 (-4.7A)
None
FAD  A8482 (-3.5A)
FAD  A8482 (-3.6A)
None
 1.24A 4zjzB-2eq9A:
undetectable		 4zjzB-2eq9A:
23.99
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 ALA A 540
PRO A 482
VAL A 490
ALA A 536
GLY A 534
 None
 1.14A 4zjzB-2eyqA:
2.1		 4zjzB-2eyqA:
19.84
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.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 167
VAL A  28
GLY A  34
ALA A 345
GLY A 349
 FAD  A1001 (-4.5A)
None
FAD  A1001 (-3.5A)
FAD  A1001 ( 4.1A)
None
 1.24A 4zjzB-2hqmA:
undetectable		 4zjzB-2hqmA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT

(Aromatoleum
aromaticum) 		PF09459
(EB_dh) 		5 ALA C 103
VAL C  99
GLY C 109
ALA C 110
GLY C 112
 None
 1.15A 4zjzB-2ivfC:
undetectable		 4zjzB-2ivfC:
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 VAL A  77
PHE A 203
GLY A 204
ALA A 159
GLY A 160
 None
 1.43A 4zjzB-2o3iA:
undetectable		 4zjzB-2o3iA:
25.45
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		5 ALA A  89
VAL A  67
PHE A  65
GLY A  88
ALA A  86
 None
 1.42A 4zjzB-2pcqA:
undetectable		 4zjzB-2pcqA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A1209
VAL A1061
PHE A1196
GLY A1208
ALA A1076
 None
None
None
None
T4K  A1500 ( 3.1A)
 1.48A 4zjzB-2po3A:
4.8		 4zjzB-2po3A:
24.42
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 143
VAL A   7
GLY A  13
ALA A 326
GLY A 330
 None
None
FAD  A 480 (-3.6A)
FAD  A 480 ( 3.9A)
None
 1.21A 4zjzB-2qaeA:
undetectable		 4zjzB-2qaeA:
23.04
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 ALA A 349
VAL A 234
GLY A 350
ALA A 353
GLY A 237
 None
 1.44A 4zjzB-2r66A:
undetectable		 4zjzB-2r66A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 ALA A 184
VAL A  42
GLY A 185
ALA A 188
GLY A  47
 None
 1.29A 4zjzB-2r9hA:
undetectable		 4zjzB-2r9hA:
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 137
VAL A 135
GLY A  15
ALA A 313
GLY A 317
 FAD  A 500 (-4.1A)
None
FAD  A 500 (-3.5A)
FAD  A 500 ( 3.7A)
None
 1.23A 4zjzB-2r9zA:
undetectable		 4zjzB-2r9zA:
25.55
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.
2uvk YJHT

(Escherichia
coli) 		PF01344
(Kelch_1) 		5 ALA A 195
PHE A 257
GLY A 246
ALA A 244
GLY A 208
 None
 1.41A 4zjzB-2uvkA:
undetectable		 4zjzB-2uvkA:
20.49
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 256
VAL A 112
GLY A 118
ALA A 445
GLY A 449
 FAD  A1594 (-4.4A)
None
FAD  A1594 (-3.8A)
FAD  A1594 ( 4.1A)
None
 1.22A 4zjzB-2v6oA:
undetectable		 4zjzB-2v6oA:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 231
PRO A 261
PHE A 278
GLY A 280
MET A 288
 None
 0.55A 4zjzB-2v7bA:
25.0		 4zjzB-2v7bA:
60.56
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.
2vpj KELCH-LIKE PROTEIN
12

(Homo sapiens) 		PF01344
(Kelch_1) 		5 ALA A 372
VAL A 383
GLY A 370
GLY A 335
MET A 365
 None
None
ACT  A1569 ( 3.8A)
None
None
 1.27A 4zjzB-2vpjA:
undetectable		 4zjzB-2vpjA:
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.
2w0p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A2266
VAL A2241
GLY A2267
ALA A2268
GLY A2269
 None
 1.31A 4zjzB-2w0pA:
undetectable		 4zjzB-2w0pA:
12.03
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ALA A 158
VAL A 274
PHE A 142
ALA A 136
MET A 133
 None
 1.39A 4zjzB-2wanA:
2.4		 4zjzB-2wanA:
21.00
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.
2waw MOBA RELATE PROTEIN

(Mycobacterium
sp. DSM 3803) 		PF12804
(NTP_transf_3) 		5 ALA A  56
PRO A  22
GLY A  54
ALA A  13
GLY A  14
 CL  A1201 (-3.6A)
None
CL  A1201 (-3.6A)
None
CL  A1201 (-3.8A)
 1.35A 4zjzB-2wawA:
undetectable		 4zjzB-2wawA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 159
VAL A   9
GLY A  15
ALA A 338
GLY A 342
 FAD  A1491 (-4.7A)
None
FAD  A1491 (-3.6A)
FAD  A1491 ( 3.8A)
None
 1.35A 4zjzB-2wbaA:
undetectable		 4zjzB-2wbaA:
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ALA A 469
VAL A 435
GLY A 471
ALA A 430
GLY A 432
 None
 1.46A 4zjzB-2x0sA:
undetectable		 4zjzB-2x0sA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 ALA A 221
PRO A 180
VAL A 183
GLY A 222
ALA A  28
 None
 1.27A 4zjzB-2x4gA:
5.2		 4zjzB-2x4gA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 ALA A 221
VAL A 183
GLY A 222
ALA A  28
GLY A  25
 None
 1.19A 4zjzB-2x4gA:
5.2		 4zjzB-2x4gA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 159
VAL A   9
GLY A  15
ALA A 338
GLY A 342
 FAD  A1487 (-4.4A)
None
FAD  A1487 (-4.0A)
FAD  A1487 ( 3.8A)
None
 1.31A 4zjzB-2x50A:
undetectable		 4zjzB-2x50A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 527
PRO A 614
GLY A 509
ALA A 497
GLY A 525
 None
 1.25A 4zjzB-2y8nA:
undetectable		 4zjzB-2y8nA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ALA A1004
PRO A1005
GLY A 974
ALA A 973
GLY A 751
 None
 1.41A 4zjzB-2yocA:
undetectable		 4zjzB-2yocA:
19.89
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 136
VAL A   6
GLY A  12
ALA A 313
GLY A 317
 FAD  A1601 (-4.7A)
None
FAD  A1601 (-3.6A)
FAD  A1601 (-3.6A)
None
 1.26A 4zjzB-2yquA:
undetectable		 4zjzB-2yquA:
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.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 ALA A 121
PRO A 123
VAL A 126
GLY A 120
GLY A 139
 None
 1.11A 4zjzB-2yutA:
3.4		 4zjzB-2yutA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A  28
VAL A  18
GLY A 452
ALA A 451
GLY A 434
 None
None
None
None
FAD  A 600 (-3.1A)
 1.45A 4zjzB-2z5xA:
undetectable		 4zjzB-2z5xA:
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 ALA A  79
PRO A 114
VAL A  83
ALA A 106
GLY A 103
 None
 1.38A 4zjzB-2ze4A:
undetectable		 4zjzB-2ze4A:
23.40
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 ALA A  97
VAL A 163
GLY A 229
ALA A 228
GLY A 227
 None
 1.44A 4zjzB-2zktA:
undetectable		 4zjzB-2zktA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 ALA E 402
VAL E  28
GLY E 399
ALA E 389
GLY E 392
 None
 1.30A 4zjzB-3aoeE:
5.3		 4zjzB-3aoeE:
24.73
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.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		5 PRO A 125
VAL A 493
GLY A 254
ALA A 255
GLY A 174
 PO4  A 623 (-4.4A)
None
PO4  A 623 (-3.3A)
PO4  A 623 (-3.3A)
PO4  A 623 ( 3.6A)
 1.21A 4zjzB-3be8A:
4.0		 4zjzB-3be8A:
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 154
VAL A  11
GLY A  17
ALA A 338
GLY A 342
 FAD  A 500 (-4.2A)
None
FAD  A 500 (-3.4A)
FAD  A 500 ( 4.0A)
None
 1.23A 4zjzB-3dgzA:
undetectable		 4zjzB-3dgzA:
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 154
VAL A 152
GLY A  17
ALA A 338
GLY A 342
 FAD  A 500 (-4.2A)
None
FAD  A 500 (-3.4A)
FAD  A 500 ( 4.0A)
None
 1.29A 4zjzB-3dgzA:
undetectable		 4zjzB-3dgzA:
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.
3dhw D-METHIONINE
TRANSPORT SYSTEM
PERMEASE PROTEIN
METI

(Escherichia
coli) 		PF00528
(BPD_transp_1) 		5 ALA A  91
PRO A  95
GLY A  88
ALA A 169
GLY A 168
 None
 1.41A 4zjzB-3dhwA:
undetectable		 4zjzB-3dhwA:
19.43