SIMILAR PATTERNS OF AMINO ACIDS FOR 5V4V_A_NCAA402

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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)

(Malus domestica) 		PF00155
(Aminotran_1_2) 		4 HIS A 331
PHE A 243
PRO A 200
TYR A 269
 None
 1.33A 5v4vA-1b8gA:
2.9		 5v4vA-1b8gA:
21.29
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.
1h4u NIDOGEN-1

(Mus musculus) 		PF07474
(G2F) 		4 THR A 482
TRP A 466
ASN A 477
PHE A 468
 None
 1.32A 5v4vA-1h4uA:
undetectable		 5v4vA-1h4uA:
20.35
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
TRP A 112
HIS A 187
TYR A 192
TYR A 358
 2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
 0.53A 5v4vA-1icpA:
49.8		 5v4vA-1icpA:
38.99
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.
1jne IMAGINAL DISC GROWTH
FACTOR-2

(Drosophila
melanogaster) 		PF00704
(Glyco_hydro_18) 		4 TYR A 279
PHE A 222
PRO A 197
TYR A  40
 None
 1.07A 5v4vA-1jneA:
9.1		 5v4vA-1jneA:
19.68
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 THR A 230
ASN A  50
PHE A  31
PRO A  32
 None
 1.15A 5v4vA-1nylA:
undetectable		 5v4vA-1nylA:
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.
1q0p COMPLEMENT FACTOR B

(Homo sapiens) 		PF00092
(VWA) 		4 THR A 328
ASN A 413
PRO A 373
TYR A 289
 MN  A 500 (-2.8A)
None
None
None
 1.18A 5v4vA-1q0pA:
undetectable		 5v4vA-1q0pA:
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.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 HIS A 194
TYR A 169
PHE A  78
PRO A  77
 FE  A 300 ( 3.2A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-4.9A)
TAM  A 305 ( 4.4A)
 1.22A 5v4vA-1s9aA:
undetectable		 5v4vA-1s9aA:
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 HIS A 221
TYR A 197
PHE A 111
PRO A 110
 FE  A 861 ( 3.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.6A)
BEZ  A 881 (-4.3A)
 1.28A 5v4vA-1tmxA:
undetectable		 5v4vA-1tmxA:
21.59
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.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae) 		PF01008
(IF-2B) 		4 TRP B 375
ASN B 376
PHE B 337
PRO B 234
 None
 1.15A 5v4vA-1w2wB:
undetectable		 5v4vA-1w2wB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wek HYPOTHETICAL PROTEIN
TT1465

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		4 THR A 144
TRP A 173
TYR A 172
PHE A  48
 PO4  A 501 (-3.9A)
None
None
None
 1.27A 5v4vA-1wekA:
undetectable		 5v4vA-1wekA:
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		4 THR A 648
TYR A 706
PHE A 606
TYR A 646
 None
 1.27A 5v4vA-1xf1A:
undetectable		 5v4vA-1xf1A:
18.88
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.
1zt2 DNA PRIMASE LARGE
SUBUNIT

(Sulfolobus
solfataricus) 		PF04104
(DNA_primase_lrg) 		4 THR B  70
TYR B  60
PRO B   9
TYR B  86
 None
 1.22A 5v4vA-1zt2B:
undetectable		 5v4vA-1zt2B:
19.75
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 THR A 154
PHE A 192
PRO A 190
TYR A 372
 None
 1.10A 5v4vA-2abjA:
undetectable		 5v4vA-2abjA:
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.
2bm3 SCAFFOLDING DOCKERIN
BINDING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		4 THR A 130
ASN A  16
PHE A  13
PRO A 165
 None
 1.14A 5v4vA-2bm3A:
undetectable		 5v4vA-2bm3A:
17.50
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 THR A 282
ASN A 288
PRO A 414
TYR A 479
 None
 1.29A 5v4vA-2c3oA:
undetectable		 5v4vA-2c3oA:
16.19
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) 		5 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
 0.28A 5v4vA-2gouA:
49.5		 5v4vA-2gouA:
39.40
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.
2hu9 MERCURIC TRANSPORT
PROTEIN PERIPLASMIC
COMPONENT

(Archaeoglobus
fulgidus) 		no annotation 4 THR A  61
TYR A  47
PHE A  37
TYR A  76
 None
 1.15A 5v4vA-2hu9A:
undetectable		 5v4vA-2hu9A:
14.18
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.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 THR A  80
HIS A  83
TYR A 332
TYR A 377
 None
 1.30A 5v4vA-2i14A:
3.5		 5v4vA-2i14A:
23.08
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 THR A1546
HIS A1542
PHE A1646
PRO A1419
 None
 1.13A 5v4vA-2pffA:
2.4		 5v4vA-2pffA:
12.28
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
TRP A 108
HIS A 186
TYR A 191
TYR A 371
 FMN  A7401 (-3.8A)
FMN  A7401 ( 4.6A)
FMN  A7401 (-3.3A)
None
FMN  A7401 (-4.0A)
 0.54A 5v4vA-2q3oA:
49.1		 5v4vA-2q3oA:
36.93
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
HIS A 183
ASN A 186
TYR A 188
TYR A 354
 FMN  A 373 (-3.8A)
FMN  A 373 (-3.8A)
FMN  A 373 ( 4.9A)
None
FMN  A 373 (-3.8A)
 0.74A 5v4vA-2q3rA:
47.5		 5v4vA-2q3rA:
39.39
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.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B

(Saccharomyces
cerevisiae) 		PF16846
(Cep3) 		4 HIS A 262
ASN A 266
PHE A 267
TYR A 158
 None
 1.23A 5v4vA-2quqA:
undetectable		 5v4vA-2quqA:
20.56
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 527
PHE A 584
PRO A 534
TYR A 371
 None
NPV  A   3 (-3.3A)
None
NPV  A   3 (-4.4A)
 1.28A 5v4vA-2qykA:
undetectable		 5v4vA-2qykA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		6 THR A  32
TRP A 106
HIS A 186
ASN A 189
PHE A 246
TYR A 356
 FMN  A 401 ( 3.8A)
TXD  A 600 (-3.8A)
FMN  A 401 ( 3.6A)
TXD  A 600 ( 3.9A)
None
TXD  A 600 ( 3.4A)
 1.07A 5v4vA-2r14A:
47.5		 5v4vA-2r14A:
40.25
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.
2uyo HYPOTHETICAL PROTEIN
ML2640

(Mycobacterium
leprae) 		PF04072
(LCM) 		4 HIS A  79
TYR A  83
PRO A 220
TYR A 191
 None
 1.12A 5v4vA-2uyoA:
undetectable		 5v4vA-2uyoA:
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.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		4 THR A 279
HIS A 297
PRO A 292
TYR A 110
 None
 1.19A 5v4vA-2v84A:
undetectable		 5v4vA-2v84A:
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 THR A 285
ASN A 154
PHE A 183
PRO A 164
 None
 1.13A 5v4vA-2wu8A:
undetectable		 5v4vA-2wu8A:
21.68
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		4 THR A 103
HIS A 243
ASN A 134
PRO A 210
 None
FE  A 556 (-3.4A)
PO4  A1444 ( 2.6A)
None
 1.23A 5v4vA-2xmoA:
2.1		 5v4vA-2xmoA:
22.11
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		4 THR A 314
TYR A 100
PHE A 105
TYR A 326
 None
 1.27A 5v4vA-2yg6A:
undetectable		 5v4vA-2yg6A:
22.33
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 HIS A 195
ASN A 198
TYR A 200
TYR A 147
 FMN  A 500 (-3.6A)
FMN  A 500 (-4.2A)
None
None
 0.72A 5v4vA-3atyA:
50.2		 5v4vA-3atyA:
33.88
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) 		5 THR A  28
HIS A 195
ASN A 198
TYR A 200
TYR A 364
 FMN  A 500 (-3.7A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.2A)
None
FMN  A 500 (-4.1A)
 0.31A 5v4vA-3atyA:
50.2		 5v4vA-3atyA:
33.88
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.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		4 THR A 133
ASN A 245
PRO A 270
TYR A 135
 None
ACT  A 302 (-3.1A)
None
None
 1.24A 5v4vA-3e8jA:
undetectable		 5v4vA-3e8jA:
20.78
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.
3e9p PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF12134
(PRP8_domainIV) 		4 THR A2009
TYR A1840
PHE A1844
PRO A1884
 None
 1.24A 5v4vA-3e9pA:
undetectable		 5v4vA-3e9pA:
21.23
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		4 THR A 839
ASN A 704
PHE A 708
TYR A 841
 None
 1.30A 5v4vA-3egiA:
undetectable		 5v4vA-3egiA:
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 481
PHE A 538
PRO A 488
TYR A 325
 None
D71  A 901 (-3.9A)
None
None
 1.32A 5v4vA-3g4gA:
undetectable		 5v4vA-3g4gA:
20.82
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) 		6 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
FMN  A 362 (-4.2A)
 0.39A 5v4vA-3gkaA:
48.7		 5v4vA-3gkaA:
37.15
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 HIS A  48
ASN A  60
TYR A  55
TYR A 145
 None
None
None
EDO  A 463 (-4.6A)
 1.25A 5v4vA-3gzaA:
8.2		 5v4vA-3gzaA:
22.22
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
TRP A 108
HIS A 185
TYR A 190
TYR A 370
 FMN  A 401 (-3.8A)
FMN  A 401 ( 4.7A)
FMN  A 401 (-3.4A)
None
FMN  A 401 (-4.1A)
 0.29A 5v4vA-3hgoA:
50.4		 5v4vA-3hgoA:
38.32
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 THR B 165
TYR B 179
PRO B 122
TYR B 126
 None
 1.08A 5v4vA-3jb9B:
undetectable		 5v4vA-3jb9B:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mv3 COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae) 		PF04733
(Coatomer_E) 		4 THR B 199
ASN B 235
TYR B 239
PHE B  15
 None
 1.27A 5v4vA-3mv3B:
undetectable		 5v4vA-3mv3B:
17.96
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.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 HIS A 218
TYR A 194
PHE A 108
PRO A 107
 FE  A 292 ( 3.2A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.3A)
FLC  A 293 (-3.5A)
 1.28A 5v4vA-3n9tA:
undetectable		 5v4vA-3n9tA:
21.23
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.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		4 THR A 214
TYR A 242
PHE A 244
PRO A 222
 None
 1.04A 5v4vA-3nvqA:
undetectable		 5v4vA-3nvqA:
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.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		4 THR A  92
ASN A 101
PHE A  60
PRO A  59
 None
 0.96A 5v4vA-3ohtA:
undetectable		 5v4vA-3ohtA:
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 THR A 148
TRP A 154
HIS A 153
TYR A 190
 None
 1.18A 5v4vA-3qfkA:
2.9		 5v4vA-3qfkA:
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		4 THR A 315
TYR A 102
PHE A 107
TYR A 327
 None
 1.28A 5v4vA-3rhaA:
undetectable		 5v4vA-3rhaA:
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 225
TYR A 158
PRO A 327
TYR A 125
 GCO  A 601 (-3.9A)
GCO  A 601 (-4.4A)
GCO  A 601 (-4.0A)
None
 1.15A 5v4vA-3t6cA:
6.9		 5v4vA-3t6cA:
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 HIS A  95
TYR A  96
PHE A  25
TYR A 128
 None
None
None
ORN  A 300 (-4.3A)
 1.30A 5v4vA-3vvdA:
undetectable		 5v4vA-3vvdA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vyg THIOCYANATE
HYDROLASE SUBUNIT
ALPHA
THIOCYANATE
HYDROLASE SUBUNIT
BETA

(Thiobacillus
thioparus;
Thiobacillus
thioparus) 		PF02211
(NHase_beta)
PF02211
(NHase_beta) 		4 THR B  86
HIS A  14
PHE A  28
PRO A  75
 None
 1.20A 5v4vA-3vygB:
undetectable		 5v4vA-3vygB:
16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		4 THR A  25
TRP A 100
HIS A 172
ASN A 175
 None
None
None
HG  A 403 (-4.7A)
 0.97A 5v4vA-3wjsA:
38.3		 5v4vA-3wjsA:
37.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		4 THR A  25
TRP A 100
HIS A 172
TYR A 177
 None
 0.37A 5v4vA-3wjsA:
38.3		 5v4vA-3wjsA:
37.14
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) 		6 THR A  25
TRP A 100
HIS A 172
ASN A 175
TYR A 177
TYR A 343
 NCA  A1359 ( 3.2A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
 0.35A 5v4vA-4a3uA:
48.9		 5v4vA-4a3uA:
36.50
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) 		6 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.36A 5v4vA-4ab4A:
48.5		 5v4vA-4ab4A:
37.75
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR B2339
HIS B2330
ASN B2325
PRO B2345
 None
 1.31A 5v4vA-4bedB:
undetectable		 5v4vA-4bedB:
13.52
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 THR A 545
ASN A 254
TYR A 252
PRO A 486
 None
EDO  A2007 ( 2.7A)
None
None
 1.04A 5v4vA-4cu8A:
10.7		 5v4vA-4cu8A:
19.25
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.
4exp MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR

(Mus musculus) 		PF00047
(ig) 		4 THR X  96
TRP X 159
HIS X  98
PRO X  53
 None
 1.02A 5v4vA-4expX:
undetectable		 5v4vA-4expX:
21.67
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.
4fww MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF01403
(Sema) 		4 THR A 263
HIS A 277
PHE A 400
TYR A 249
 None
None
SO4  A 605 (-4.7A)
None
 1.24A 5v4vA-4fwwA:
undetectable		 5v4vA-4fwwA:
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		4 THR A  15
HIS A 233
TYR A 273
TYR A 125
 None
 1.33A 5v4vA-4gouA:
undetectable		 5v4vA-4gouA:
20.59
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.
4hw8 BACTERIAL
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, PUTATIVE

(Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		4 THR A  67
ASN A  44
PRO A  43
TYR A  66
 None
 1.27A 5v4vA-4hw8A:
undetectable		 5v4vA-4hw8A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iml CROSSED HEAVY CHAIN
(VH-CKAPPA)
CROSSED LIGHT CHAIN
(VL-CH1)

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 HIS H  35
TYR L  97
PRO H 102
TYR L  48
 None
 1.16A 5v4vA-4imlH:
undetectable		 5v4vA-4imlH:
18.45
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) 		6 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.49A 5v4vA-4jipA:
49.3		 5v4vA-4jipA:
39.37
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
TYR A 193
PHE A 247
TYR A 374
 FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
23W  A 508 ( 4.0A)
23W  A 508 ( 4.4A)
FMN  A 501 (-4.0A)
 0.36A 5v4vA-4m5pA:
58.8		 5v4vA-4m5pA:
41.26
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.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		4 THR A 224
ASN A  49
TYR A  53
PHE A  74
 None
 1.06A 5v4vA-4ny4A:
undetectable		 5v4vA-4ny4A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		4 THR A 394
TYR A 241
PHE A 454
PRO A 453
 None
 1.10A 5v4vA-4oetA:
undetectable		 5v4vA-4oetA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		4 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.21A 5v4vA-4qnwA:
51.2		 5v4vA-4qnwA:
41.20
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.
4qt8 MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		no annotation 4 THR B 263
HIS B 277
PHE B 400
TYR B 249
 None
 1.23A 5v4vA-4qt8B:
undetectable		 5v4vA-4qt8B:
20.15
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		4 HIS A 321
ASN A 351
TYR A 349
PHE A 369
 None
 1.26A 5v4vA-4repA:
undetectable		 5v4vA-4repA:
19.81
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.
4rg8 EXONUCLEASE I

(Methylocaldum
szegediense) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		4 THR A  82
ASN A 411
TYR A 407
PHE A 412
 None
 1.04A 5v4vA-4rg8A:
undetectable		 5v4vA-4rg8A:
21.77
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) 		7 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
PHE A 349
TYR A  75
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
EDO  A 403 ( 3.9A)
EPE  A 402 ( 3.7A)
 0.38A 5v4vA-4rnwA:
9.4		 5v4vA-4rnwA:
60.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		8 THR A 285
TRP A 364
HIS A  40
ASN A  43
TYR A  45
PHE A  99
PRO A 144
TYR A 224
 FMN  A 501 (-3.7A)
FMN  A 501 ( 4.9A)
FMN  A 501 (-3.5A)
FMN  A 501 (-4.2A)
None
None
None
FMN  A 501 ( 4.8A)
 0.50A 5v4vA-4rnxA:
30.0		 5v4vA-4rnxA:
47.53
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) 		8 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
None
None
FMN  A 501 ( 4.0A)
 0.34A 5v4vA-4tmcA:
71.3		 5v4vA-4tmcA:
67.25
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		4 THR A 370
TYR A 456
PHE A 442
PRO A 441
 None
None
HEM  A 540 (-4.1A)
None
 1.21A 5v4vA-4uhiA:
undetectable		 5v4vA-4uhiA:
20.84
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 561
PHE A 618
PRO A 568
TYR A 405
 None
 1.28A 5v4vA-4wziA:
undetectable		 5v4vA-4wziA:
19.73
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 THR A1350
TYR A1511
PHE A1305
PRO A1304
 None
 1.16A 5v4vA-4xqkA:
undetectable		 5v4vA-4xqkA:
13.00
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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		4 THR A 457
ASN A 287
PHE A 268
PRO A 269
 None
 1.12A 5v4vA-4ye9A:
undetectable		 5v4vA-4ye9A:
19.24
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) 		7 THR A  37
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 4EG  A 402 ( 3.4A)
FMN  A 401 (-3.6A)
4EG  A 402 ( 3.0A)
4EG  A 402 (-3.7A)
4EG  A 402 ( 4.6A)
4EG  A 402 ( 4.5A)
FMN  A 401 (-4.9A)
 0.52A 5v4vA-4yncA:
73.8		 5v4vA-4yncA:
79.90
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 HIS A 216
TYR A 214
PRO A 385
TYR A 355
 None
 1.32A 5v4vA-5b4wA:
undetectable		 5v4vA-5b4wA:
21.08
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 THR A 232
ASN A  52
PHE A  33
PRO A  34
 None
 1.12A 5v4vA-5bnzA:
undetectable		 5v4vA-5bnzA:
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.
5c08 1E6 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR E  38
TYR E  90
PHE E  65
PRO E  61
 None
 1.21A 5v4vA-5c08E:
undetectable		 5v4vA-5c08E:
22.39
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.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 THR A 108
TRP A 207
HIS A 160
PHE A  22
 None
 1.25A 5v4vA-5d9tA:
undetectable		 5v4vA-5d9tA:
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.
5dmu NHEJ POLYMERASE

(Methanocella
paludicola) 		no annotation 4 HIS A 145
TYR A 248
PHE A 137
PRO A  71
 None
 1.15A 5v4vA-5dmuA:
undetectable		 5v4vA-5dmuA:
24.09
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
TRP A 103
HIS A 180
TYR A 185
TYR A 367
 FMN  A7401 (-3.9A)
FMN  A7401 ( 4.9A)
FMN  A7401 (-3.4A)
None
FMN  A7401 (-4.0A)
 0.34A 5v4vA-5dxxA:
50.9		 5v4vA-5dxxA:
38.66
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) 		5 THR A  27
TRP A 102
HIS A 176
ASN A 179
TYR A 181
 None
 0.27A 5v4vA-5epdA:
47.2		 5v4vA-5epdA:
37.11
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 HIS A  37
TYR A 122
PHE A 141
PRO A  58
 None
 1.18A 5v4vA-5f7uA:
8.4		 5v4vA-5f7uA:
16.18
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		4 THR A1358
TYR A1503
PHE A1313
PRO A1312
 None
 1.15A 5v4vA-5ffjA:
undetectable		 5v4vA-5ffjA:
15.00
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		4 THR A 369
TYR A 477
PHE A 463
PRO A 462
 None
None
HEM  A 580 ( 4.5A)
None
 1.23A 5v4vA-5fsaA:
undetectable		 5v4vA-5fsaA:
23.02
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) 		6 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
PHE A 241
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
TNF  A 401 (-3.3A)
 0.34A 5v4vA-5k1uA:
44.7		 5v4vA-5k1uA:
36.30
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.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 THR B 286
ASN B 765
PHE B 374
PRO B 373
 None
 1.33A 5v4vA-5kyuB:
undetectable		 5v4vA-5kyuB:
19.67
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 HIS B 470
ASN B 448
PHE B 410
TYR B 494
 None
None
GAL  B 801 (-4.3A)
None
 1.25A 5v4vA-5ldrB:
9.8		 5v4vA-5ldrB:
21.10
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) 		4 THR A  26
HIS A 181
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.8A)
None
FMN  A 401 ( 4.0A)
 0.25A 5v4vA-5lgxA:
49.2		 5v4vA-5lgxA:
39.11
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.
5mdx PHOTOSYSTEM II
PROTEIN D1
PHOTOSYSTEM II
REACTION CENTER
PROTEIN I

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF00124
(Photo_RC)
PF02532
(PsbI) 		4 HIS A 118
PHE A  93
PRO A  95
TYR I   9
 CLA  A 405 (-3.5A)
CLA  A 405 (-3.9A)
CLA  A 405 (-3.9A)
None
 1.33A 5v4vA-5mdxA:
undetectable		 5v4vA-5mdxA:
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.
5of3 DNA PRIMASE LARGE
SUBUNIT PRIL

(Sulfolobus
solfataricus) 		no annotation 4 THR B  70
TYR B  60
PRO B   9
TYR B  86
 None
 1.00A 5v4vA-5of3B:
undetectable		 5v4vA-5of3B:
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 8 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
PHE A 250
PRO A 295
TYR A 375
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.8A)
None
HBA  A 402 ( 4.4A)
 0.16A 5v4vA-5v4pA:
75.5		 5v4vA-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.
5wu3 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF03828
(PAP_assoc) 		4 THR A 435
ASN A 392
PHE A 395
PRO A 544
 EDO  A1004 (-3.7A)
UTP  A1001 (-2.6A)
None
None
 1.18A 5v4vA-5wu3A:
undetectable		 5v4vA-5wu3A:
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.
5wu6 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF00076
(RRM_1)
PF03828
(PAP_assoc) 		4 THR A 435
ASN A 392
PHE A 395
PRO A 544
 None
 1.25A 5v4vA-5wu6A:
undetectable		 5v4vA-5wu6A:
22.91
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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		4 HIS A 184
ASN A 213
PRO A 103
TYR A 147
 None
 1.06A 5v4vA-5xeqA:
2.1		 5v4vA-5xeqA:
20.50
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.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 4 THR A 276
HIS A 105
ASN A 132
PHE A 133
 None
 1.06A 5v4vA-5z03A:
undetectable		 5v4vA-5z03A:
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5

(Homo sapiens) 		no annotation 4 THR D 353
ASN D 398
PHE D 380
PRO D 400
 None
 1.34A 5v4vA-6cetD:
undetectable		 5v4vA-6cetD:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 THR A 721
HIS A 267
ASN A 312
PHE A 473
 CA  A 802 (-3.6A)
None
None
None
 1.20A 5v4vA-6eonA:
9.7		 5v4vA-6eonA:
18.83
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.
6esd FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA

(Chromobacterium
violaceum) 		no annotation 4 HIS B 373
TYR B 391
PHE B 253
PRO B 254
 None
 1.22A 5v4vA-6esdB:
undetectable		 5v4vA-6esdB:
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
 1.18A 5v4vA-6eyuA:
undetectable		 5v4vA-6eyuA:
undetectable