SIMILAR PATTERNS OF AMINO ACIDS FOR 4PD5_A_GEOA501

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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		5 ALA A  46
LEU A 149
ASN A 118
GLU A  62
ILE A  36
 None
 1.18A 4pd5A-1ad3A:
0.0		 4pd5A-1ad3A:
23.29
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		5 GLY A  70
ALA A  72
LEU A  10
SER A 100
ILE A  99
 None
 1.15A 4pd5A-1bg6A:
0.0		 4pd5A-1bg6A:
25.29
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.
1bhg BETA-GLUCURONIDASE

(Homo sapiens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ALA A 493
LEU A 501
ASN A 450
PHE A 481
SER A 447
 None
 1.15A 4pd5A-1bhgA:
0.8		 4pd5A-1bhgA:
22.60
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.
1bjx PROTEIN DISULFIDE
ISOMERASE

(Homo sapiens) 		PF13848
(Thioredoxin_6) 		5 GLY A 185
VAL A 203
LEU A 208
PHE A 144
ILE A 169
 None
 1.18A 4pd5A-1bjxA:
undetectable		 4pd5A-1bjxA:
16.34
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 GLY A 294
GLN A 316
ALA A 244
ASN A 172
ASN A 139
 None
None
None
ORO  A1338 ( 3.2A)
FMN  A1337 (-3.3A)
 1.19A 4pd5A-1f76A:
0.0		 4pd5A-1f76A:
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.
1hru YRDC GENE PRODUCT

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 ALA A  13
VAL A 165
LEU A 123
SER A 137
ILE A  61
 None
 1.22A 4pd5A-1hruA:
0.0		 4pd5A-1hruA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		5 GLY H  44
ALA H  31
VAL H  66
LEU H 106
ASN H  35
 None
 1.13A 4pd5A-1kigH:
undetectable		 4pd5A-1kigH:
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.
1luj CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 277
ALA A 276
ASN A 308
SER A 311
ILE A 314
 None
 1.18A 4pd5A-1lujA:
0.8		 4pd5A-1lujA:
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 GLY A  56
ALA A  55
TYR A 108
ASN A  95
ILE A  84
 None
 0.99A 4pd5A-1ne2A:
0.0		 4pd5A-1ne2A:
18.87
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		5 GLN A  53
ALA A 161
LEU A  57
GLU A 157
PHE A  14
 None
 1.07A 4pd5A-1or4A:
undetectable		 4pd5A-1or4A:
19.15
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		5 GLY A 209
VAL A 238
ASN A 268
GLU A 234
ILE A 229
 PCP  A 604 (-3.4A)
None
None
None
None
 1.25A 4pd5A-1p4aA:
undetectable		 4pd5A-1p4aA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poy SPERMIDINE/PUTRESCIN
E-BINDING PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 GLY 1 137
VAL 1 223
ASN 1 216
ASN 1 213
SER 1 232
 None
 1.14A 4pd5A-1poy1:
undetectable		 4pd5A-1poy1:
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 658
ASN A 584
PHE A 586
SER A 589
ILE A 592
 None
 1.21A 4pd5A-1r8wA:
undetectable		 4pd5A-1r8wA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		5 GLY A  76
ALA A  75
VAL A  40
ASN A  43
PHE A  47
 None
 1.12A 4pd5A-1s2nA:
undetectable		 4pd5A-1s2nA:
21.04
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.
1vs1 3-DEOXY-7-PHOSPHOHEP
TULONATE SYNTHASE

(Aeropyrum
pernix) 		PF00793
(DAHP_synth_1) 		5 GLY A  65
ALA A  66
VAL A  41
LEU A 276
PHE A 263
 None
 1.13A 4pd5A-1vs1A:
undetectable		 4pd5A-1vs1A:
21.69
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 342
ALA A 249
VAL A 240
LEU A 190
ILE A 161
 GLY  A 342 ( 0.0A)
ALA  A 249 ( 0.0A)
VAL  A 240 ( 0.6A)
LEU  A 190 ( 0.6A)
ILE  A 161 ( 0.7A)
 1.11A 4pd5A-1wqaA:
undetectable		 4pd5A-1wqaA:
23.16
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 244
VAL A 273
LEU A 241
PHE A 303
ILE A 300
 None
 1.18A 4pd5A-1zj9A:
undetectable		 4pd5A-1zj9A:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zun SULFATE
ADENYLYLTRANSFERASE
SUBUNIT 2

(Pseudomonas
syringae) 		PF01507
(PAPS_reduct) 		5 GLY A 132
ALA A 134
ASN A 187
SER A  15
ILE A  18
 AGS  A 600 ( 4.5A)
AGS  A 600 ( 4.7A)
None
None
None
 0.97A 4pd5A-1zunA:
undetectable		 4pd5A-1zunA:
20.48
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.
2a90 DELTEX PROTEIN

(Drosophila
melanogaster) 		PF02825
(WWE) 		5 ALA A 160
LEU A 170
PHE A 183
ASN A 185
ILE A 199
 None
 1.12A 4pd5A-2a90A:
undetectable		 4pd5A-2a90A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 GLY A 232
ALA A 231
VAL A 156
LEU A 252
ILE A  13
 None
 1.19A 4pd5A-2b6nA:
undetectable		 4pd5A-2b6nA:
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLY A 206
GLN A 205
ALA A 207
VAL A 214
LEU A 189
 None
 1.05A 4pd5A-2chqA:
undetectable		 4pd5A-2chqA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 GLY A 227
ALA A 228
VAL A 260
LEU A 240
SER A 220
 None
 1.20A 4pd5A-2cy8A:
1.0		 4pd5A-2cy8A:
24.02
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY C  69
GLN C  64
VAL C 128
GLU C 123
SER C  92
 None
 1.11A 4pd5A-2d3tC:
undetectable		 4pd5A-2d3tC:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 250
ALA A 251
VAL A  89
LEU A  75
ILE A 218
 None
 1.15A 4pd5A-2eh6A:
undetectable		 4pd5A-2eh6A:
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.
2hku A PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF16914
(TetR_C_12) 		5 GLY A  91
VAL A  98
LEU A 144
ASN A 198
PHE A 196
 None
None
EDO  A 302 (-4.1A)
None
EDO  A 304 (-4.4A)
 1.11A 4pd5A-2hkuA:
undetectable		 4pd5A-2hkuA:
20.64
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.
2hqo PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Helicobacter
pylori) 		PF00072
(Response_reg) 		5 GLY A  90
GLN A  89
ALA A  91
VAL A  73
GLU A  82
 None
 1.13A 4pd5A-2hqoA:
undetectable		 4pd5A-2hqoA:
14.25
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.
2ido DNA POLYMERASE III
EPSILON SUBUNIT
HOT PROTEIN

(Escherichia
coli;
Escherichia
virus P1) 		PF00929
(RNase_T)
PF06440
(DNA_pol3_theta) 		5 GLY A  34
LEU A  52
GLU A  85
PHE A  48
ILE B   6
 None
 1.20A 4pd5A-2idoA:
undetectable		 4pd5A-2idoA:
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.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		5 GLY A  74
ALA A  76
VAL A  29
ASN A  21
SER A  56
 None
 1.06A 4pd5A-2ie8A:
undetectable		 4pd5A-2ie8A:
23.85
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.
2orz NEUROPILIN-1

(Rattus
norvegicus) 		PF00754
(F5_F8_type_C) 		5 GLY A 366
VAL A 465
LEU A 333
ASN A 545
ILE A 362
 None
 1.14A 4pd5A-2orzA:
undetectable		 4pd5A-2orzA:
21.38
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		5 ALA A 119
VAL A  51
LEU A 239
PHE A 232
ILE A 185
 None
 1.20A 4pd5A-2p1iA:
undetectable		 4pd5A-2p1iA:
22.99
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		5 GLY A 682
VAL A 667
LEU A 332
ASN A 650
ILE A 632
 None
 1.18A 4pd5A-2rdyA:
undetectable		 4pd5A-2rdyA:
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.
2vlg SPORULATION KINASE A

(Bacillus
subtilis) 		PF08447
(PAS_3) 		5 ALA A  91
VAL A  89
ASN A  33
SER A  31
ILE A  30
 None
 0.99A 4pd5A-2vlgA:
undetectable		 4pd5A-2vlgA:
11.56
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 413
VAL A 377
LEU A 371
ASN A 340
ASN A 417
 None
 1.20A 4pd5A-2vqdA:
undetectable		 4pd5A-2vqdA:
21.50
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.
2z65 LYMPHOCYTE ANTIGEN
96
TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF02221
(E1_DerP2_DerF2)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 GLY C 110
TYR C  42
GLU A  42
PHE A  63
ASN A  64
 None
 1.22A 4pd5A-2z65C:
undetectable		 4pd5A-2z65C:
15.01
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 GLY A 103
ALA A 104
VAL A  68
GLU A  95
ILE A  46
 None
 1.21A 4pd5A-3aalA:
undetectable		 4pd5A-3aalA:
22.56
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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 GLY A 208
ALA A 225
VAL A 221
GLU A 195
SER A 171
 None
 1.10A 4pd5A-3b4uA:
undetectable		 4pd5A-3b4uA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bgk PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF01256
(Carb_kinase) 		5 GLY A 225
ALA A  52
VAL A  55
LEU A  29
SER A 265
 None
 1.16A 4pd5A-3bgkA:
undetectable		 4pd5A-3bgkA:
21.96
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.
3cm0 ADENYLATE KINASE

(Thermus
thermophilus) 		PF00406
(ADK) 		5 GLY A  16
GLN A  20
ALA A  15
VAL A 114
ILE A 180
 None
 1.15A 4pd5A-3cm0A:
undetectable		 4pd5A-3cm0A:
19.32
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A 227
ALA A 225
TYR A 215
LEU A 202
ASN A 162
 None
 1.01A 4pd5A-3d1jA:
undetectable		 4pd5A-3d1jA:
23.47
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		5 GLY A 195
GLN A 198
ALA A 191
VAL A 189
LEU A 131
 None
 0.91A 4pd5A-3efvA:
undetectable		 4pd5A-3efvA:
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		5 GLY A 195
GLN A 198
ALA A 191
VAL A 189
LEU A 158
 None
 1.02A 4pd5A-3efvA:
undetectable		 4pd5A-3efvA:
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.
3fb4 ADENYLATE KINASE

(Jeotgalibacillus
marinus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 GLY A  12
GLN A  16
ALA A  11
VAL A 115
ILE A 208
 AP5  A   0 (-3.4A)
None
AP5  A   0 (-4.4A)
None
None
 1.23A 4pd5A-3fb4A:
undetectable		 4pd5A-3fb4A:
20.30
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.
3fdj DEGV FAMILY PROTEIN

([Eubacterium]
eligens) 		PF02645
(DegV) 		5 GLY A 256
ALA A 255
VAL A 228
ASN A 161
ILE A  26
 None
 1.06A 4pd5A-3fdjA:
undetectable		 4pd5A-3fdjA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdj DEGV FAMILY PROTEIN

([Eubacterium]
eligens) 		PF02645
(DegV) 		5 GLY A 256
ALA A 255
VAL A 228
LEU A  45
ILE A  26
 None
 1.19A 4pd5A-3fdjA:
undetectable		 4pd5A-3fdjA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 GLY A 116
GLN A 115
VAL A 108
LEU A 298
SER A 307
 None
 1.12A 4pd5A-3g0tA:
undetectable		 4pd5A-3g0tA:
23.82
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.
3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES

(Caldanaerobacter
subterraneus) 		PF13669
(Glyoxalase_4) 		5 GLY A 124
GLN A 122
ALA A  48
ASN A  81
SER A  83
 None
 1.17A 4pd5A-3gm5A:
undetectable		 4pd5A-3gm5A:
18.57
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 GLY A 222
ALA A 328
VAL A 330
TYR A 261
ASN A 278
 None
 1.17A 4pd5A-3hbzA:
undetectable		 4pd5A-3hbzA:
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 GLY A3004
ALA A3041
TYR A3036
LEU A3011
ASN A3106
 None
 1.17A 4pd5A-3hwcA:
undetectable		 4pd5A-3hwcA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 GLY A  88
GLN A  89
VAL A 106
TYR A 127
ASN A 112
 None
 1.07A 4pd5A-3l6cA:
undetectable		 4pd5A-3l6cA:
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.
3ll8 CALCINEURIN SUBUNIT
B TYPE 1
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 GLY B  77
GLN B  80
VAL B  57
LEU A 365
PHE B  93
 None
 1.24A 4pd5A-3ll8B:
undetectable		 4pd5A-3ll8B:
15.59
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 GLY A  81
GLN A  80
ALA A 105
LEU A  89
SER A 164
 None
 1.21A 4pd5A-3mjoA:
0.2		 4pd5A-3mjoA:
21.85
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.
3oeb S-LAYER ASSOCIATED
MULTIDOMAIN
ENDOGLUCANASE

(Caldanaerobius
polysaccharolyticus) 		PF02018
(CBM_4_9) 		5 GLY A  49
GLN A  50
VAL A  78
ASN A   3
ILE A  52
 None
 1.12A 4pd5A-3oebA:
undetectable		 4pd5A-3oebA:
14.96
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.
3ozi L6TR

(Linum
usitatissimum) 		PF01582
(TIR) 		5 GLY A 186
GLN A 185
ALA A 189
VAL A 192
PHE A  51
 None
 1.13A 4pd5A-3oziA:
undetectable		 4pd5A-3oziA:
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.
3p3q MMOQ

(Methylococcus
capsulatus) 		PF08668
(HDOD) 		5 GLN A 103
ALA A  47
VAL A  52
LEU A  98
GLU A  50
 SO4  A   1 (-3.5A)
None
None
None
None
 1.25A 4pd5A-3p3qA:
1.5		 4pd5A-3p3qA:
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 GLY A 193
GLN A 194
ALA A 197
TYR A 125
ILE A 377
 None
 1.13A 4pd5A-3qfhA:
undetectable		 4pd5A-3qfhA:
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		5 GLY A 201
ALA A 180
VAL A  56
TYR A  60
LEU A 312
 None
 1.14A 4pd5A-3rmgA:
1.7		 4pd5A-3rmgA:
23.89
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLY A 385
GLN A 386
GLU A 430
ASN A 436
ILE A 476
 None
None
None
None
GOL  A 820 (-4.5A)
 1.24A 4pd5A-3sdqA:
undetectable		 4pd5A-3sdqA:
19.54
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 151
ALA A 153
LEU A 183
ASN A 171
ILE A 231
 None
None
None
I85  A 350 (-4.4A)
None
 1.15A 4pd5A-3sheA:
undetectable		 4pd5A-3sheA:
20.19
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 261
ALA A 263
VAL A 283
TYR A 298
ASN A 256
 None
 1.22A 4pd5A-3szeA:
undetectable		 4pd5A-3szeA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 ALA A 185
LEU A 105
ASN A 331
GLU A 332
PHE A 366
 URI  A 419 ( 3.8A)
None
URI  A 419 ( 4.0A)
URI  A 419 (-3.0A)
URI  A 419 (-3.9A)
 1.05A 4pd5A-3tijA:
71.1		 4pd5A-3tijA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLY A 153
ALA A 185
VAL A 188
TYR A 192
ASN A 405
 NA  A 421 ( 3.9A)
URI  A 419 ( 3.8A)
None
None
None
 1.21A 4pd5A-3tijA:
71.1		 4pd5A-3tijA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		12 GLY A 153
GLN A 154
ALA A 185
VAL A 188
TYR A 192
LEU A 259
ASN A 331
GLU A 332
PHE A 366
ASN A 368
SER A 371
ILE A 374
 NA  A 421 ( 3.9A)
URI  A 419 (-3.9A)
URI  A 419 ( 3.8A)
None
None
URI  A 419 ( 4.9A)
URI  A 419 ( 4.0A)
URI  A 419 (-3.0A)
URI  A 419 (-3.9A)
URI  A 419 (-3.7A)
URI  A 419 (-2.6A)
URI  A 419 (-4.0A)
 0.28A 4pd5A-3tijA:
71.1		 4pd5A-3tijA:
99.53
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.
3vw5 CELLOBIOSE
2-EPIMERASE

(Ruminococcus
albus) 		PF07221
(GlcNAc_2-epim) 		5 GLY A 242
LEU A 183
ASN A 315
SER A 275
ILE A 274
 None
 1.09A 4pd5A-3vw5A:
0.7		 4pd5A-3vw5A:
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A  52
ALA A  56
VAL A 309
TYR A 313
LEU A 271
 NAI  A1400 (-3.5A)
None
None
None
NAI  A1400 (-4.7A)
 1.12A 4pd5A-3zu4A:
undetectable		 4pd5A-3zu4A:
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLY A 493
ALA A 488
LEU A 468
PHE A 395
SER A 464
 None
 1.11A 4pd5A-4bc7A:
undetectable		 4pd5A-4bc7A:
22.49
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A 276
VAL A 236
GLU A 232
SER A 282
ILE A 317
 None
 1.16A 4pd5A-4cnsA:
undetectable		 4pd5A-4cnsA:
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 GLY A  51
ALA A  50
VAL A 256
LEU A 239
ILE A  35
 None
 1.21A 4pd5A-4ecfA:
undetectable		 4pd5A-4ecfA:
22.30
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF02934
(GatB_N) 		5 GLY B 218
GLN B 207
ALA B 224
ASN B 246
ILE B 203
 None
 1.17A 4pd5A-4n0iB:
undetectable		 4pd5A-4n0iB:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 161
TYR A 332
LEU A 134
SER A 177
ILE A 148
 None
 1.25A 4pd5A-4oc9A:
undetectable		 4pd5A-4oc9A:
24.48
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  67
ALA A  66
LEU A 122
ASN A 127
ILE A 137
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.9A)
None
None
PO4  A 502 (-3.4A)
 1.18A 4pd5A-4pr3A:
undetectable		 4pd5A-4pr3A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qus ACETYLTRANSFERASE
YPEA

(Escherichia
coli) 		PF00583
(Acetyltransf_1) 		5 GLY A  60
ALA A  69
TYR A 123
ASN A  89
GLU A  92
 None
 1.23A 4pd5A-4qusA:
undetectable		 4pd5A-4qusA:
15.96
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.
4qus ACETYLTRANSFERASE
YPEA

(Escherichia
coli) 		PF00583
(Acetyltransf_1) 		5 GLY A  60
TYR A 123
LEU A  72
ASN A  89
GLU A  92
 None
 1.24A 4pd5A-4qusA:
undetectable		 4pd5A-4qusA:
15.96
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.
4tum ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 2

(Arabidopsis
thaliana) 		PF13637
(Ank_4) 		5 GLY A 293
GLN A 329
ALA A 291
VAL A 300
LEU A 336
 None
 1.11A 4pd5A-4tumA:
undetectable		 4pd5A-4tumA:
15.84
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		5 GLY A1518
ALA A1609
VAL A1642
TYR A1615
ASN A1018
 None
 1.14A 4pd5A-4u48A:
undetectable		 4pd5A-4u48A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5j ADENYLATE KINASE

(Streptococcus
pneumoniae) 		PF00406
(ADK) 		5 GLY A  12
GLN A  16
ALA A  11
VAL A 116
ILE A 204
 AP5  A 302 (-3.3A)
None
AP5  A 302 (-4.5A)
None
None
 1.15A 4pd5A-4w5jA:
undetectable		 4pd5A-4w5jA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 GLY A 292
ALA A 291
VAL A 288
TYR A 158
PHE A 448
 None
 1.14A 4pd5A-4zwlA:
undetectable		 4pd5A-4zwlA:
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.
5aiz ZINC FINGER MIZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 GLY A  74
ALA A  64
VAL A  63
ASN A  24
PHE A  28
 None
 1.13A 4pd5A-5aizA:
2.2		 4pd5A-5aizA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 5 GLY A 154
ALA A 157
LEU A  99
ASN A   8
ILE A  63
 None
 1.25A 4pd5A-5b01A:
1.9		 4pd5A-5b01A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 GLY A 210
ALA A 211
VAL A 214
LEU A 319
ILE A 125
 PO4  A 401 ( 4.0A)
None
None
None
None
 0.98A 4pd5A-5b04A:
undetectable		 4pd5A-5b04A:
21.35
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ALA A 458
LEU A 466
ASN A 413
PHE A 444
SER A 410
 None
 1.25A 4pd5A-5c70A:
undetectable		 4pd5A-5c70A:
19.71
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.
5d9a POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza C
virus) 		PF00602
(Flu_PB1)
PF00604
(Flu_PB2) 		5 GLY C 745
GLN C 744
ALA B 713
PHE B 696
SER B 698
 None
 1.25A 4pd5A-5d9aC:
undetectable		 4pd5A-5d9aC:
21.56
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.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		5 GLY A 223
GLN A 227
ALA A 199
LEU A 245
ILE A 233
 None
 1.14A 4pd5A-5dgoA:
1.0		 4pd5A-5dgoA:
21.72
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.
5ffo INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 GLY B 334
ALA B 312
VAL B 252
LEU B 138
ILE B 347
 None
 1.21A 4pd5A-5ffoB:
undetectable		 4pd5A-5ffoB:
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.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 GLY A  12
GLN A  16
ALA A  11
VAL A 115
ILE A 208
 ADP  A1215 (-3.2A)
None
ADP  A1215 (-4.0A)
None
None
 1.20A 4pd5A-5g3yA:
undetectable		 4pd5A-5g3yA:
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.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		5 GLY A  20
ALA A 147
VAL A 150
LEU A   9
ILE A  56
 None
 1.14A 4pd5A-5gmbA:
undetectable		 4pd5A-5gmbA:
17.72
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		5 GLY A 173
VAL A  89
LEU A 180
ASN A 147
ASN A 144
 None
 1.11A 4pd5A-5iw7A:
undetectable		 4pd5A-5iw7A:
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLN A 572
ALA A 442
LEU A  95
ASN A 451
PHE A 452
 None
 1.09A 4pd5A-5ju6A:
undetectable		 4pd5A-5ju6A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLY A 153
ALA A 185
VAL A 188
TYR A 192
ASN A 405
 NA  A 506 (-3.8A)
URI  A 505 ( 3.7A)
None
None
None
 1.13A 4pd5A-5l26A:
64.0		 4pd5A-5l26A:
67.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		10 GLY A 153
GLN A 154
ALA A 185
VAL A 188
TYR A 192
ASN A 331
GLU A 332
PHE A 366
ASN A 368
SER A 371
 NA  A 506 (-3.8A)
URI  A 505 (-3.9A)
URI  A 505 ( 3.7A)
None
None
URI  A 505 ( 4.7A)
URI  A 505 (-3.2A)
URI  A 505 (-3.8A)
URI  A 505 (-3.2A)
URI  A 505 (-2.4A)
 0.42A 4pd5A-5l26A:
64.0		 4pd5A-5l26A:
67.14
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.
5mrv CARBOXYPEPTIDASE O

(Homo sapiens) 		no annotation 5 GLY A  57
ALA A 197
VAL A 198
LEU A 127
ILE A 132
 None
 1.14A 4pd5A-5mrvA:
undetectable		 4pd5A-5mrvA:
9.81
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.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 726
GLN A 727
LEU A 732
SER A 463
ILE A 704
 None
 1.19A 4pd5A-5o6bA:
undetectable		 4pd5A-5o6bA:
13.10
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.
5vgb ANTI-CRISPR PROTEIN
(ACRIIC1)
CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Neisseria
meningitidis) 		PF13395
(HNH_4)
no annotation 		5 GLY B   8
ALA B  11
VAL B  31
TYR B  33
ASN A  98
 GOL  B 101 (-3.4A)
GOL  B 101 ( 4.8A)
None
None
None
 1.10A 4pd5A-5vgbB:
undetectable		 4pd5A-5vgbB:
11.03
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.
5w66 RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN7

(Saccharomyces
cerevisiae) 		no annotation 5 GLY P 224
ALA P 492
LEU P 304
SER P 163
ILE P 230
 None
 1.15A 4pd5A-5w66P:
undetectable		 4pd5A-5w66P:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wdu BNAB NIH45-46 SCFV
HEAVY CHAIN
ENVELOPE
GLYCOPROTEIN GP160

(Homo sapiens;
Human
immunodeficiency
virus 1) 		no annotation 5 GLY D  55
VAL D  73
TYR D  74
LEU D  30
ASN G 425
 None
None
NAG  G 617 (-4.2A)
None
None
 1.16A 4pd5A-5wduD:
undetectable		 4pd5A-5wduD:
10.85
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 GLN A 424
VAL A 439
PHE A 428
ASN A 433
ILE A 451
 None
 1.17A 4pd5A-5ws4A:
undetectable		 4pd5A-5ws4A:
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.
6ar2 SARCOLEMMAL
MEMBRANE-ASSOCIATED
PROTEIN

(Homo sapiens) 		no annotation 5 ALA A  44
VAL A  22
LEU A  24
PHE A   8
ILE A  97
 None
 1.25A 4pd5A-6ar2A:
undetectable		 4pd5A-6ar2A:
10.43
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.
6bp2 ENVELOPE
GLYCOPROTEIN
MR191 FAB HEAVY
CHAIN

(Homo sapiens;
Marburg
marburgvirus) 		no annotation 5 GLY A 127
GLN A 128
TYR H  61
LEU H 110
SER H  56
 None
 1.15A 4pd5A-6bp2A:
undetectable		 4pd5A-6bp2A:
12.53
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 GLY F  47
ALA F  46
VAL F 134
TYR F  70
ILE F  17
 None
 1.24A 4pd5A-6cfwF:
undetectable		 4pd5A-6cfwF:
13.38
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.
6d0g PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 GLY A 189
VAL A 181
LEU A 157
ASN A 110
PHE A  84
 None
 1.01A 4pd5A-6d0gA:
undetectable		 4pd5A-6d0gA:
11.03
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 GLY A 222
ALA A 221
PHE A 193
SER A 228
ILE A 229
 None
 1.06A 4pd5A-6dayA:
undetectable		 4pd5A-6dayA:
12.07