SIMILAR PATTERNS OF AMINO ACIDS FOR 4DF2_A_4CHA506

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.
1htp H-PROTEIN

(Pisum sativum) 		PF01597
(GCV_H) 		4 THR A  28
TYR A 120
HIS A  34
TYR A  95
 None
None
OSS  A 132 (-4.3A)
None
 1.45A 4df2A-1htpA:
undetectable		 4df2A-1htpA:
15.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  37
HIS A 187
HIS A 190
TYR A 192
TYR A 358
 2PE  A 503 ( 3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
 0.32A 4df2A-1icpA:
47.8		 4df2A-1icpA:
36.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 TYR A  78
HIS A 187
HIS A 190
TYR A 192
TYR A 358
 2PE  A 503 (-3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
 0.84A 4df2A-1icpA:
47.8		 4df2A-1icpA:
36.74
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.
1isc IRON(III) SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 173
HIS A  26
HIS A  73
TYR A  76
 None
FE  A 193 (-3.3A)
AZI  A 195 (-2.7A)
None
 1.49A 4df2A-1iscA:
undetectable		 4df2A-1iscA:
17.27
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		4 THR A  71
HIS A 199
HIS A 202
TYR A  63
 SAM  A 301 (-4.1A)
None
None
None
 1.35A 4df2A-1nt2A:
undetectable		 4df2A-1nt2A:
20.39
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.
1oy3 TRANSCRIPTION FACTOR
INHIBITOR
I-KAPPA-B-BETA

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 THR D 239
HIS D 208
HIS D 212
TYR D 272
 None
 1.45A 4df2A-1oy3D:
undetectable		 4df2A-1oy3D:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 THR A 223
TYR A 249
HIS A 160
TYR A 182
 None
None
ZN  A 271 (-3.2A)
None
 1.46A 4df2A-1smlA:
undetectable		 4df2A-1smlA:
23.06
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 TYR A 199
HIS A 206
TYR A 146
TYR A 187
 None
 1.35A 4df2A-1vknA:
undetectable		 4df2A-1vknA:
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		4 HIS A 468
HIS A 657
TYR A 658
TYR A 223
 None
 1.46A 4df2A-1w8jA:
undetectable		 4df2A-1w8jA:
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.
1wb8 SUPEROXIDE DISMUTASE
[FE]

(Sulfolobus
solfataricus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 187
HIS A  33
HIS A  84
TYR A  87
 None
FE  A 212 (-3.3A)
FE  A 212 (-3.3A)
None
 1.45A 4df2A-1wb8A:
undetectable		 4df2A-1wb8A:
18.61
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 THR A 152
TYR A 143
HIS A 233
TYR A 277
 None
None
SO4  A 385 (-4.4A)
SO4  A 385 (-4.7A)
 1.49A 4df2A-1x9eA:
undetectable		 4df2A-1x9eA:
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 THR A 191
TYR A 180
HIS A 283
TYR A 287
 None
 1.40A 4df2A-1xajA:
undetectable		 4df2A-1xajA:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z48 PROBABLE
NADH-DEPENDENT
FLAVIN
OXIDOREDUCTASE YQJM

(Bacillus
subtilis) 		PF00724
(Oxidored_FMN) 		4 HIS A 164
HIS A 167
TYR A 169
TYR A  28
 FMN  A1500 (-3.9A)
FMN  A1500 (-4.3A)
None
None
 0.87A 4df2A-1z48A:
36.8		 4df2A-1z48A:
30.12
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		4 TYR A 514
HIS A 412
TYR A 422
TYR A 130
 None
 1.44A 4df2A-2bxyA:
6.9		 4df2A-2bxyA:
22.08
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 105
TYR A 440
HIS A 394
TYR A 395
 None
 1.33A 4df2A-2c3dA:
undetectable		 4df2A-2c3dA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cw3 IRON SUPEROXIDE
DISMUTASE

(Perkinsus
marinus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 186
HIS A  31
HIS A  81
TYR A  84
 None
FE  A 524 (-3.1A)
FE  A 524 (-3.1A)
None
 1.45A 4df2A-2cw3A:
undetectable		 4df2A-2cw3A:
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		4 THR X  49
TYR X 101
HIS X  53
TYR X  56
 MG  X 801 (-3.9A)
MG  X 801 (-4.9A)
YMP  X 601 (-4.3A)
YMP  X 601 ( 4.5A)
 1.24A 4df2A-2dlcX:
2.0		 4df2A-2dlcX:
25.70
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		4 TYR A 405
HIS A 496
TYR A 495
TYR A 329
 None
CU  A 640 (-3.4A)
CU  A 640 (-4.4A)
None
 1.08A 4df2A-2eidA:
undetectable		 4df2A-2eidA:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 THR A  26
TYR A  68
HIS A 181
TYR A 186
 PE4  A4124 ( 3.7A)
PE4  A4124 (-3.8A)
FMN  A4401 (-3.4A)
None
 0.82A 4df2A-2gouA:
46.9		 4df2A-2gouA:
33.41
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.
2gpc IRON SUPEROXIDE
DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 177
HIS A  27
HIS A  75
TYR A  78
 None
FE2  A 195 (-3.3A)
FE2  A 195 (-3.2A)
None
 1.48A 4df2A-2gpcA:
undetectable		 4df2A-2gpcA:
19.90
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		4 HIS A 178
HIS A 181
TYR A 183
TYR A  27
 FMN  A1401 ( 3.7A)
SO4  A1507 ( 3.8A)
SO4  A1507 (-4.4A)
None
 0.95A 4df2A-2h8xA:
35.4		 4df2A-2h8xA:
27.43
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.
2hau SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		4 THR A 457
TYR A 655
HIS A 585
TYR A 426
 CIT  A9202 (-3.9A)
None
CIT  A9202 (-4.0A)
CIT  A9202 (-4.5A)
 1.31A 4df2A-2hauA:
undetectable		 4df2A-2hauA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 134
HIS A 143
HIS A 227
TYR A 168
 PD2  A1254 (-4.5A)
ZN  A1252 ( 3.3A)
ZN  A1252 ( 3.3A)
None
 1.37A 4df2A-2jigA:
undetectable		 4df2A-2jigA:
21.22
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		4 THR A 236
HIS A 289
HIS A 376
TYR A 291
 None
 1.34A 4df2A-2o04A:
undetectable		 4df2A-2o04A:
20.95
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A 130
TYR A 166
HIS A 348
TYR A 371
 None
 1.35A 4df2A-2o56A:
7.2		 4df2A-2o56A:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
HIS A 186
HIS A 189
TYR A 191
TYR A 371
 FMN  A7401 (-3.8A)
FMN  A7401 (-3.3A)
FMN  A7401 (-4.4A)
None
FMN  A7401 (-4.0A)
 0.50A 4df2A-2q3oA:
46.8		 4df2A-2q3oA:
34.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3r 12-OXOPHYTODIENOATE
REDUCTASE 1

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TYR A  74
HIS A 183
TYR A 188
TYR A 354
 FMN  A 373 (-3.8A)
None
FMN  A 373 (-3.8A)
None
FMN  A 373 (-3.8A)
 1.00A 4df2A-2q3rA:
46.1		 4df2A-2q3rA:
35.34
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.
2vow SURFACE-ASSOCIATED
PROTEIN

(Methylococcus
capsulatus) 		no annotation 4 THR A 199
HIS A 132
HIS A 203
TYR A 240
 None
 1.44A 4df2A-2vowA:
undetectable		 4df2A-2vowA:
21.43
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.
2w7w SUPEROXIDE DISMUTASE
[FE]

(Aliivibrio
salmonicida) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 175
HIS A  27
HIS A  74
TYR A  77
 None
FE  A1195 (-3.2A)
FE  A1195 (-3.3A)
None
 1.46A 4df2A-2w7wA:
undetectable		 4df2A-2w7wA:
19.27
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 THR A 464
HIS A 377
HIS A 344
TYR A 458
 None
 1.35A 4df2A-2zzgA:
undetectable		 4df2A-2zzgA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		4 THR A  28
HIS A 195
TYR A 200
TYR A 364
 FMN  A 500 (-3.7A)
FMN  A 500 (-3.6A)
None
FMN  A 500 (-4.1A)
 0.29A 4df2A-3atyA:
47.2		 4df2A-3atyA:
32.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		4 THR A 420
TYR A 417
HIS A 269
HIS A 295
 None
None
CO  A 999 (-3.5A)
None
 1.49A 4df2A-3dwcA:
undetectable		 4df2A-3dwcA:
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.
3eqe PUTATIVE CYSTEIN
DIOXYGENASE

(Bacillus
subtilis) 		PF05995
(CDO_I) 		4 THR A  73
TYR A  48
HIS A 125
HIS A  77
 None
None
FE  A 202 (-3.5A)
FE  A 202 (-3.6A)
 1.49A 4df2A-3eqeA:
undetectable		 4df2A-3eqeA:
19.16
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.
3eqx FIC DOMAIN
CONTAINING
TRANSCRIPTIONAL
REGULATOR

(Shewanella
oneidensis) 		PF02661
(Fic)
PF13784
(Fic_N) 		4 THR A 248
TYR A 155
HIS A  11
TYR A 192
 PGE  A 373 (-3.3A)
PGE  A 373 ( 3.9A)
None
None
 1.44A 4df2A-3eqxA:
undetectable		 4df2A-3eqxA:
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.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2

(Trypanosoma
brucei) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 178
HIS A  28
HIS A  76
TYR A  79
 None
FE  A 198 (-3.4A)
FE  A 198 (-3.3A)
None
 1.45A 4df2A-3esfA:
undetectable		 4df2A-3esfA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TYR A  74
HIS A 181
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
None
FMN  A 362 (-4.2A)
 0.84A 4df2A-3gkaA:
46.8		 4df2A-3gkaA:
34.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  33
HIS A 185
HIS A 188
TYR A 190
TYR A 370
 FMN  A 401 (-3.8A)
FMN  A 401 (-3.4A)
FMN  A 401 (-4.3A)
None
FMN  A 401 (-4.1A)
 0.36A 4df2A-3hgoA:
48.7		 4df2A-3hgoA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TYR A  74
HIS A 185
HIS A 188
TYR A 190
 FMN  A 401 (-3.8A)
None
FMN  A 401 (-3.4A)
FMN  A 401 (-4.3A)
None
 1.01A 4df2A-3hgoA:
48.7		 4df2A-3hgoA:
33.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		4 THR A 429
TYR A 426
HIS A 280
HIS A 305
 None
 1.47A 4df2A-3hoaA:
undetectable		 4df2A-3hoaA:
21.79
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 TYR A  97
HIS A  93
HIS A 259
TYR A 120
 None
ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
None
 1.49A 4df2A-3hpaA:
6.5		 4df2A-3hpaA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 TYR A  97
HIS A 153
HIS A 259
TYR A 155
 None
None
ZN  A 480 (-3.5A)
None
 1.37A 4df2A-3hpaA:
6.5		 4df2A-3hpaA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 TYR A 120
HIS A  95
HIS A 259
TYR A 155
 None
ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
None
 1.25A 4df2A-3hpaA:
6.5		 4df2A-3hpaA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htn PUTATIVE DNA BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03479
(DUF296) 		4 TYR A 129
HIS A 147
HIS A 133
TYR A 181
 None
NI  A 201 ( 3.3A)
NI  A 201 (-3.4A)
None
 1.45A 4df2A-3htnA:
undetectable		 4df2A-3htnA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0p MALATE DEHYDROGENASE

(Entamoeba
histolytica) 		PF02615
(Ldh_2) 		4 THR A  38
TYR A 130
HIS A 123
HIS A  50
 None
None
NAD  A 401 (-3.8A)
NAD  A 401 (-3.9A)
 1.34A 4df2A-3i0pA:
undetectable		 4df2A-3i0pA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx) 		4 THR 2 130
HIS 2 174
HIS 2 175
TYR 1 105
 None
 1.43A 4df2A-3i9v2:
undetectable		 4df2A-3i9v2:
17.27
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.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 182
HIS A  24
HIS A  80
TYR A  83
 None
FE  A 207 (-3.4A)
FE  A 207 (-3.4A)
None
 1.47A 4df2A-3js4A:
undetectable		 4df2A-3js4A:
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		4 HIS A 163
HIS A 166
TYR A 168
TYR A  27
 FMN  A 401 ( 3.9A)
TXD  A 402 ( 3.8A)
TXD  A 402 (-4.6A)
None
 0.85A 4df2A-3krzA:
36.4		 4df2A-3krzA:
28.67
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 THR A 467
HIS A 542
TYR A 544
TYR A 410
 KCX  A 490 ( 4.8A)
None
KCX  A 490 ( 4.5A)
None
 1.37A 4df2A-3la4A:
3.5		 4df2A-3la4A:
20.24
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.
3ljf IRON SUPEROXIDE
DISMUTASE

(Pseudoalteromonas
haloplanktis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 174
HIS A  26
HIS A  73
TYR A  76
 None
FE  A5000 (-3.3A)
FE  A5000 (-3.2A)
None
 1.49A 4df2A-3ljfA:
undetectable		 4df2A-3ljfA:
18.33
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.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 303
HIS A 313
HIS A 374
TYR A 329
 None
FE2  A 600 ( 3.2A)
FE2  A 600 ( 3.2A)
014  A 417 (-4.7A)
 1.38A 4df2A-3ouhA:
undetectable		 4df2A-3ouhA:
20.65
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.
3oui EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 303
HIS A 313
HIS A 374
TYR A 329
 None
FE2  A   1 ( 3.3A)
FE2  A   1 ( 3.2A)
42Z  A 393 (-4.5A)
 1.40A 4df2A-3ouiA:
undetectable		 4df2A-3ouiA:
20.16
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 TYR B1116
HIS B1025
HIS B1030
TYR B1018
 None
 1.38A 4df2A-3p8cB:
undetectable		 4df2A-3p8cB:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqj SUPEROXIDE DISMUTASE
[FE]

(Coxiella
burnetii) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 174
HIS A  27
HIS A  74
TYR A  77
 None
FE2  A1001 (-3.3A)
FE2  A1001 (-3.3A)
None
 1.49A 4df2A-3tqjA:
undetectable		 4df2A-3tqjA:
18.78
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A 132
HIS A  43
TYR A 327
TYR A 116
 None
NDP  A 601 (-4.0A)
None
None
 1.44A 4df2A-3twoA:
undetectable		 4df2A-3twoA:
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 THR A 559
TYR A 243
HIS A 573
TYR A 239
 None
 1.34A 4df2A-3vrbA:
undetectable		 4df2A-3vrbA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		4 THR A  25
HIS A 172
TYR A 177
TYR A 343
 NCA  A1359 ( 3.2A)
FMN  A1357 ( 3.6A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
 0.29A 4df2A-4a3uA:
47.0		 4df2A-4a3uA:
33.17
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 THR A 333
TYR A 419
HIS A 337
HIS A 215
 None
None
ZN  A 950 (-3.3A)
ZN  A 950 (-3.3A)
 1.37A 4df2A-4a7kA:
undetectable		 4df2A-4a7kA:
19.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TYR A  66
HIS A 173
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.89A 4df2A-4ab4A:
47.1		 4df2A-4ab4A:
34.99
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 THR A 454
HIS A 445
HIS A 492
TYR A 456
 None
None
None
GOL  B1067 ( 3.5A)
 1.48A 4df2A-4cj0A:
undetectable		 4df2A-4cj0A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvh SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 180
HIS A  28
HIS A  79
TYR A  82
 None
FE  A 301 (-3.3A)
FE  A 301 (-3.2A)
None
 1.43A 4df2A-4dvhA:
undetectable		 4df2A-4dvhA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffk SUPEROXIDE DISMUTASE

(Acidilobus
saccharovorans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 195
HIS A  43
HIS A  92
TYR A  95
 None
FE  A 301 (-3.3A)
FE  A 301 (-3.2A)
None
 1.46A 4df2A-4ffkA:
undetectable		 4df2A-4ffkA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g19 GLUTATHIONE
TRANSFERASE GTE1

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 THR A  81
TYR A  94
TYR A  99
TYR A  77
 None
None
ACT  A 304 ( 4.9A)
None
 1.34A 4df2A-4g19A:
undetectable		 4df2A-4g19A:
21.45
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		4 THR A  15
HIS A 233
TYR A 273
TYR A 125
 None
 1.24A 4df2A-4gouA:
undetectable		 4df2A-4gouA:
22.53
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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 211
HIS A  59
HIS A 110
TYR A 113
 None
FE2  A 301 (-3.4A)
FE2  A 301 (-3.3A)
None
 1.47A 4df2A-4h3eA:
undetectable		 4df2A-4h3eA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TYR A  65
HIS A 178
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.77A 4df2A-4jipA:
46.7		 4df2A-4jipA:
34.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmv GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 THR A  81
TYR A  94
TYR A  99
TYR A  77
 None
 1.34A 4df2A-4lmvA:
undetectable		 4df2A-4lmvA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		5 THR A  35
HIS A 188
HIS A 191
TYR A 193
TYR A 374
 FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
MLA  A 507 (-3.7A)
23W  A 508 ( 4.0A)
FMN  A 501 (-4.0A)
 0.28A 4df2A-4m5pA:
75.3		 4df2A-4m5pA:
99.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 THR A 105
HIS A 139
TYR A 163
TYR A 103
 None
MG  A 301 ( 3.7A)
None
None
 1.45A 4df2A-4ml9A:
11.5		 4df2A-4ml9A:
25.41
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		4 THR A 601
HIS A 539
TYR A 625
TYR A 581
 None
 1.31A 4df2A-4obsA:
6.9		 4df2A-4obsA:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 THR A 136
HIS A 290
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.19A 4df2A-4rnwA:
37.1		 4df2A-4rnwA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 TYR A 181
HIS A 290
TYR A 295
TYR A  75
 EPE  A 402 ( 3.8A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.86A 4df2A-4rnwA:
37.1		 4df2A-4rnwA:
34.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 THR A 285
HIS A  40
TYR A  45
TYR A 224
 FMN  A 501 (-3.7A)
FMN  A 501 (-3.5A)
None
FMN  A 501 ( 4.8A)
 0.78A 4df2A-4rnxA:
7.6		 4df2A-4rnxA:
23.15
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.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 TYR A 330
HIS A  40
TYR A  45
TYR A 224
 None
FMN  A 501 (-3.5A)
None
FMN  A 501 ( 4.8A)
 1.06A 4df2A-4rnxA:
7.6		 4df2A-4rnxA:
23.15
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 THR P 124
TYR P 266
HIS P  39
TYR P 227
 None
 1.48A 4df2A-4s2tP:
undetectable		 4df2A-4s2tP:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		4 THR A  37
HIS A 191
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
FMN  A 501 ( 3.7A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.21A 4df2A-4tmcA:
58.3		 4df2A-4tmcA:
42.79
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 TYR A  93
HIS A  68
HIS A 243
TYR A  85
 None
FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
None
 1.30A 4df2A-4v1yA:
7.9		 4df2A-4v1yA:
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.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 4 THR B 291
TYR B 276
HIS B 233
TYR B 331
 None
 1.16A 4df2A-4xeyB:
undetectable		 4df2A-4xeyB:
24.89
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.
4yet SUPEROXIDE DISMUTASE

(Babesia bovis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 175
HIS A  27
HIS A  74
TYR A  77
 None
FE  A 300 (-3.3A)
FE  A 300 (-3.3A)
None
 1.49A 4df2A-4yetA:
undetectable		 4df2A-4yetA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7;
Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 THR C 523
TYR C 508
HIS A  26
TYR C 541
 None
 1.45A 4df2A-4yfaC:
undetectable		 4df2A-4yfaC:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yhb IRON-CHELATOR
UTILIZATION PROTEIN

(Thermobifida
fusca) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		4 HIS A 265
HIS A  53
TYR A 255
TYR A 137
 ZN  A 302 ( 3.4A)
ZN  A 302 ( 3.4A)
FAD  A 301 (-3.5A)
None
 1.35A 4df2A-4yhbA:
undetectable		 4df2A-4yhbA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 THR A  37
HIS A 191
TYR A 196
TYR A 375
 4EG  A 402 ( 3.4A)
FMN  A 401 (-3.6A)
4EG  A 402 (-3.7A)
FMN  A 401 (-4.9A)
 0.77A 4df2A-4yncA:
58.3		 4df2A-4yncA:
42.17
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 HIS A 749
HIS A 744
TYR A 766
TYR A 726
 None
 1.32A 4df2A-5a0zA:
3.3		 4df2A-5a0zA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 THR A 725
TYR A 710
HIS A  26
TYR A 743
 None
 1.42A 4df2A-5c9iA:
undetectable		 4df2A-5c9iA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 THR A  28
HIS A 180
HIS A 183
TYR A 185
TYR A 367
 FMN  A7401 (-3.9A)
FMN  A7401 (-3.4A)
FMN  A7401 (-4.5A)
None
FMN  A7401 (-4.0A)
 0.33A 4df2A-5dxxA:
48.6		 4df2A-5dxxA:
36.64
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.
5e1r 7S VICILIN

(Carya
illinoinensis) 		PF00190
(Cupin_1) 		4 THR A 636
HIS A 698
HIS A 654
TYR A 379
 None
CU  A 801 (-3.1A)
CU  A 801 (-3.2A)
CU  A 801 (-4.3A)
 1.43A 4df2A-5e1rA:
undetectable		 4df2A-5e1rA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 TYR A  75
HIS A 354
HIS A 197
TYR A 157
 None
ZN  A 508 (-3.3A)
ZN  A 508 ( 3.2A)
None
 1.45A 4df2A-5egeA:
undetectable		 4df2A-5egeA:
23.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		4 THR A  27
TYR A  68
HIS A 176
TYR A 181
 None
 0.74A 4df2A-5epdA:
44.5		 4df2A-5epdA:
33.89
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.
5eyg INOSITOL
MONOPHOSPHATASE

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		4 THR A   5
HIS A  65
HIS A  83
TYR A 109
 PGE  A 306 ( 4.8A)
PGE  A 306 (-4.1A)
PGE  A 306 (-3.7A)
PGE  A 306 (-4.5A)
 1.38A 4df2A-5eygA:
undetectable		 4df2A-5eygA:
22.65
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 HIS A 467
HIS A 462
TYR A 484
TYR A 444
 None
 1.33A 4df2A-5favA:
3.0		 4df2A-5favA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 THR A  35
TYR A  76
HIS A 182
TYR A 187
 TNF  A 401 ( 3.4A)
None
TNF  A 401 ( 3.5A)
TNF  A 401 (-3.6A)
 0.79A 4df2A-5k1uA:
43.2		 4df2A-5k1uA:
34.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		6 THR A  26
TYR A  68
HIS A 181
HIS A 184
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
IPA  A 405 (-4.5A)
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
FMN  A 401 ( 4.0A)
 0.70A 4df2A-5lgxA:
47.0		 4df2A-5lgxA:
36.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 4 THR C  89
HIS C 144
HIS C 246
TYR C 241
 SCY  C  88 ( 3.8A)
13X  C 500 (-4.5A)
None
None
 1.35A 4df2A-5mg5C:
undetectable		 4df2A-5mg5C:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtj TYROSINE-PROTEIN
KINASE YES
MONOBODY MB(YES_1)

(Mus musculus;
Homo sapiens) 		PF00017
(SH2)
PF00041
(fn3) 		4 HIS A 210
HIS A 214
TYR A 211
TYR B  73
 None
 1.36A 4df2A-5mtjA:
undetectable		 4df2A-5mtjA:
13.27
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 4 HIS A 172
HIS A 175
TYR A 177
TYR A  27
 FMN  A1001 (-3.8A)
FMN  A1001 (-4.5A)
None
None
 1.00A 4df2A-5nuxA:
35.8		 4df2A-5nuxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		4 TYR A 544
HIS A 586
TYR A 587
TYR A 528
 None
 1.28A 4df2A-5szsA:
undetectable		 4df2A-5szsA:
15.47
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.
5thh TYROSINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		4 THR A  45
TYR A  97
HIS A  49
TYR A  52
 None
 1.19A 4df2A-5thhA:
undetectable		 4df2A-5thhA:
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.
5upb ACETOACETATE
DECARBOXYLASE

(Sphingomonas
wittichii) 		PF06314
(ADC) 		4 THR A  30
TYR A  32
TYR A  99
TYR A 244
 None
 1.40A 4df2A-5upbA:
undetectable		 4df2A-5upbA:
23.44
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 4 THR A  37
HIS A 191
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
FMN  A 401 ( 3.5A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.34A 4df2A-5v4pA:
58.8		 4df2A-5v4pA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 4 TYR A 244
HIS A 372
HIS A 379
TYR A 237
 None
None
MG  A 700 ( 3.2A)
GNP  A 500 (-4.7A)
 0.86A 4df2A-6ceyA:
undetectable		 4df2A-6ceyA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eyu BACTERIORHODOPSIN

(Candidatus
Nanosalina sp.
J07AB43) 		no annotation 4 THR A  91
HIS A  48
TYR A 216
TYR A 163
 None
 1.22A 4df2A-6eyuA:
undetectable		 4df2A-6eyuA:
undetectable