SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4F_D_ADND604_1

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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.23A 1d4fD-1g7rA:
2.9		 1d4fD-1g7rA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 LEU A 335
HIS A 327
GLU A 329
ASP A 346
GLY A 355
 None
 1.29A 1d4fD-1gjuA:
0.4		 1d4fD-1gjuA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A   8
THR A 199
LEU A 130
LEU A  80
GLY A  77
 None
 1.29A 1d4fD-1i1qA:
undetectable		 1d4fD-1i1qA:
21.52
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 HIS A  99
ASP A 185
LEU A 150
LEU A 153
GLY A 102
 None
 1.10A 1d4fD-1jaeA:
undetectable		 1d4fD-1jaeA:
21.90
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 HIS A 101
ASP A 197
LEU A 162
LEU A 165
GLY A 104
 None
 1.07A 1d4fD-1jxkA:
0.7		 1d4fD-1jxkA:
20.47
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.
1lki LEUKEMIA INHIBITORY
FACTOR

(Mus musculus) 		PF01291
(LIF_OSM) 		5 LEU A  83
GLU A  76
LEU A 130
LEU A 133
PHE A 180
 None
 1.48A 1d4fD-1lkiA:
undetectable		 1d4fD-1lkiA:
18.18
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.
1p0n ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Bacillus
subtilis) 		PF01070
(FMN_dh) 		5 LEU A 242
THR A  23
ASP A 207
LEU A 260
GLY A 258
 None
None
None
None
FMN  A 669 (-3.0A)
 1.20A 1d4fD-1p0nA:
0.0		 1d4fD-1p0nA:
22.03
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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		5 THR A 107
LEU A  46
LEU A  90
GLY A  88
PHE A  22
 None
 0.93A 1d4fD-1pzsA:
undetectable		 1d4fD-1pzsA:
18.69
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.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		5 THR B 182
ASP B 179
LEU B  63
LEU B  59
GLY B  58
 None
 1.47A 1d4fD-1r4nB:
4.6		 1d4fD-1r4nB:
21.02
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLU A 728
LEU A 639
LEU A 637
GLY A 636
PHE A 726
 None
 1.48A 1d4fD-1suvA:
2.9		 1d4fD-1suvA:
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.
1u2l PEROXIDASE/CATALASE
HPI

(Escherichia
coli) 		PF00141
(peroxidase) 		5 LEU A 571
THR A 564
LEU A 492
GLY A 489
PHE A 569
 None
 1.46A 1d4fD-1u2lA:
undetectable		 1d4fD-1u2lA:
21.62
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.
1um8 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Helicobacter
pylori) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 241
GLU A 246
LEU A 146
LEU A 334
GLY A 332
 None
 1.44A 1d4fD-1um8A:
undetectable		 1d4fD-1um8A:
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.
1usv HEAT SHOCK PROTEIN
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90) 		5 LEU A 499
LYS A 426
LEU A 479
GLY A 476
PHE A 510
 None
 1.38A 1d4fD-1usvA:
undetectable		 1d4fD-1usvA:
22.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  54
ASP A 134
LYS A 230
ASP A 234
LEU A 392
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
 1.37A 1d4fD-1v8bA:
54.0		 1d4fD-1v8bA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  53
HIS A  54
THR A  56
GLU A  58
ASP A 134
LYS A 230
ASP A 234
LEU A 389
LEU A 392
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.6A)
ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.36A 1d4fD-1v8bA:
54.0		 1d4fD-1v8bA:
52.61
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.
1xeb HYPOTHETICAL PROTEIN
PA0115

(Pseudomonas
aeruginosa) 		PF13673
(Acetyltransf_10) 		5 LEU A 101
LEU A  52
LEU A  64
GLY A  79
PHE A 130
 None
 1.43A 1d4fD-1xebA:
undetectable		 1d4fD-1xebA:
14.85
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		5 LEU A  43
HIS A 104
ASP A  33
GLY A  95
PHE A   9
 None
 1.32A 1d4fD-1y23A:
undetectable		 1d4fD-1y23A:
16.24
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 HIS A 127
THR A 113
LEU A 110
GLY A 134
PHE A 200
 None
None
None
FAD  A 501 (-3.3A)
None
 1.49A 1d4fD-1zr6A:
undetectable		 1d4fD-1zr6A:
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 125
HIS A 127
THR A 113
LEU A 110
GLY A 134
 None
None
None
None
FAD  A 501 (-3.3A)
 1.33A 1d4fD-1zr6A:
undetectable		 1d4fD-1zr6A:
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 LEU A  62
LYS A  40
LEU A 122
GLY A 117
PHE A  37
 None
 1.46A 1d4fD-2b4wA:
undetectable		 1d4fD-2b4wA:
21.60
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.
2cic DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDE HYDROLASE

(Campylobacter
jejuni) 		PF08761
(dUTPase_2) 		5 LEU A  50
LEU A 168
LEU A 163
GLY A 162
PHE A  54
 None
 1.45A 1d4fD-2cicA:
undetectable		 1d4fD-2cicA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 195
LEU A  96
LEU A  94
GLY A  93
PHE A 183
 None
 1.23A 1d4fD-2culA:
3.2		 1d4fD-2culA:
18.66
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.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
THR A  73
ASP A 194
LEU A  32
GLY A  40
 None
 1.39A 1d4fD-2ei8A:
undetectable		 1d4fD-2ei8A:
19.72
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 359
HIS A 148
GLU A 460
GLY A 186
PHE A 461
 None
 1.44A 1d4fD-2gv9A:
undetectable		 1d4fD-2gv9A:
17.29
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.
2h56 DNA-3-METHYLADENINE
GLYCOSIDASE

(Bacillus
halodurans) 		PF00730
(HhH-GPD) 		5 LEU A 195
LEU A 179
LEU A 160
MET A 141
PHE A 145
 None
 1.37A 1d4fD-2h56A:
undetectable		 1d4fD-2h56A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i1s HYPOTHETICAL PROTEIN

(Methanosarcina
mazei) 		PF07929
(PRiA4_ORF3) 		5 HIS A  38
GLU A  54
ASP A  49
LEU A  35
GLY A  69
 None
 1.21A 1d4fD-2i1sA:
undetectable		 1d4fD-2i1sA:
15.90
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran) 		5 LEU A 157
LEU A 164
LEU A 161
MET A 200
PHE A  31
 None
 1.24A 1d4fD-2it1A:
undetectable		 1d4fD-2it1A:
24.61
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A  34
HIS A 310
GLU A 308
GLY A 312
MET A 315
 None
 1.33A 1d4fD-2olsA:
undetectable		 1d4fD-2olsA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2reb REC A

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A 263
GLU A 273
LYS A 310
LEU A 107
GLY A  43
 None
 1.14A 1d4fD-2rebA:
undetectable		 1d4fD-2rebA:
24.30
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.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		5 LEU A   9
GLU A  77
ASP A 132
LEU A  22
GLY A  78
 None
 1.23A 1d4fD-2vzbA:
undetectable		 1d4fD-2vzbA:
16.55
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.
2vzw PROBABLE HISTIDINE
KINASE RESPONSE
REGULATOR

(Mycobacterium
tuberculosis) 		PF13185
(GAF_2) 		5 LEU A  76
GLU A  99
LEU A 154
LEU A 170
GLY A  82
 None
None
None
None
HEM  A1206 (-4.0A)
 1.20A 1d4fD-2vzwA:
undetectable		 1d4fD-2vzwA:
19.53
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.
2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 279
LEU A 325
LEU A 266
GLY A 301
PHE A 288
 None
 1.27A 1d4fD-2yh0A:
undetectable		 1d4fD-2yh0A:
18.84
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ASP A 822
ASP A 590
LEU A 666
GLY A 693
PHE A 862
 None
 1.31A 1d4fD-2yocA:
undetectable		 1d4fD-2yocA:
16.48
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.
3bw2 2-NITROPROPANE
DIOXYGENASE

(Streptomyces
ansochromogenes) 		PF03060
(NMO) 		5 THR A 243
GLU A 245
LEU A 340
LEU A 336
GLY A 334
 None
 1.26A 1d4fD-3bw2A:
undetectable		 1d4fD-3bw2A:
23.81
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		5 THR A 197
ASP A 248
LEU A 130
LEU A 214
GLY A 235
 None
 1.41A 1d4fD-3bydA:
undetectable		 1d4fD-3bydA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.45A 1d4fD-3ce6A:
54.7		 1d4fD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.54A 1d4fD-3ce6A:
54.7		 1d4fD-3ce6A:
54.66
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A 263
GLU A 273
LYS A 310
LEU A 107
GLY A  43
 None
 1.28A 1d4fD-3cmuA:
undetectable		 1d4fD-3cmuA:
12.00
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A1263
GLU A1273
LYS A1310
LEU A1107
GLY A1043
 None
 1.24A 1d4fD-3cmuA:
undetectable		 1d4fD-3cmuA:
12.00
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A2263
GLU A2273
LYS A2310
LEU A2107
GLY A2043
 None
 1.23A 1d4fD-3cmuA:
undetectable		 1d4fD-3cmuA:
12.00
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A3263
GLU A3273
LYS A3310
LEU A3107
GLY A3043
 None
 1.25A 1d4fD-3cmuA:
undetectable		 1d4fD-3cmuA:
12.00
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A4263
GLU A4273
LYS A4310
LEU A4107
GLY A4043
 None
 1.24A 1d4fD-3cmuA:
undetectable		 1d4fD-3cmuA:
12.00
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A5263
GLU A5273
LYS A5310
LEU A5107
GLY A5043
 None
 1.30A 1d4fD-3cmuA:
undetectable		 1d4fD-3cmuA:
12.00
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A 263
GLU A 273
LYS A 310
LEU A 107
GLY A  43
 None
 1.30A 1d4fD-3cmvA:
undetectable		 1d4fD-3cmvA:
16.12
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.
3dob HEAT SHOCK 70 KDA
PROTEIN F44E5.5

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 HIS A 455
LYS A 512
LEU A 457
GLY A 446
MET A 519
 None
 1.18A 1d4fD-3dobA:
undetectable		 1d4fD-3dobA:
15.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  51
HIS A  52
THR A  54
ASP A 130
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 0.68A 1d4fD-3g1uA:
59.6		 1d4fD-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 229
ASP A 233
LEU A 388
 RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
 1.46A 1d4fD-3glqA:
56.9		 1d4fD-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 229
ASP A 233
LEU A 385
LEU A 388
GLY A 393
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.50A 1d4fD-3glqA:
56.9		 1d4fD-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  52
ASP A 130
LYS A 185
ASP A 189
LEU A 343
 ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
 1.36A 1d4fD-3h9uA:
61.5		 1d4fD-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  51
HIS A  52
THR A  54
ASP A 130
LYS A 185
ASP A 189
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.37A 1d4fD-3h9uA:
61.5		 1d4fD-3h9uA:
71.75
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.
3k9c TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF13377
(Peripla_BP_3) 		5 ASP A 280
ASP A 169
LEU A  88
GLY A 133
PHE A 251
 GOL  A 349 (-2.8A)
None
None
None
None
 1.20A 1d4fD-3k9cA:
undetectable		 1d4fD-3k9cA:
21.15
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.
3ld2 PUTATIVE
ACETYLTRANSFERASE

(Streptococcus
mutans) 		PF00583
(Acetyltransf_1) 		5 LEU A 101
LEU A  50
LEU A  62
GLY A  80
PHE A 131
 None
None
None
COA  A 164 ( 4.4A)
None
 1.40A 1d4fD-3ld2A:
undetectable		 1d4fD-3ld2A:
17.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.47A 1d4fD-3n58A:
56.7		 1d4fD-3n58A:
58.89
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.
3o65 PUTATIVE
ATAXIN-3-LIKE
PROTEIN

(Homo sapiens) 		PF02099
(Josephin) 		5 LEU A 179
HIS A 130
LEU A 143
MET A   2
PHE A   4
 None
 1.20A 1d4fD-3o65A:
undetectable		 1d4fD-3o65A:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.34A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.42A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  61
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.62A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 HIS A   5
ASP A 194
ASP A  13
LEU A 106
GLY A  78
 FE  A 264 (-3.3A)
FE  A 264 ( 2.6A)
None
None
None
 1.41A 1d4fD-3qy7A:
undetectable		 1d4fD-3qy7A:
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.
3r38 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Listeria
monocytogenes) 		PF00275
(EPSP_synthase) 		5 LEU A 406
GLU A 235
LEU A 392
LEU A 395
PHE A 239
 None
 1.45A 1d4fD-3r38A:
undetectable		 1d4fD-3r38A:
23.80
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.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		5 LEU A 269
HIS A 250
THR A 267
GLU A 121
LEU A 254
 None
None
None
AMP  A 616 ( 3.9A)
None
 1.33A 1d4fD-3sgiA:
undetectable		 1d4fD-3sgiA:
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		5 LEU A  94
THR A  76
LEU A 123
LEU A 117
GLY A 116
 None
AR6  A 280 (-4.3A)
None
None
None
 1.14A 1d4fD-3sigA:
undetectable		 1d4fD-3sigA:
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.
3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2

(Homo sapiens) 		PF01369
(Sec7) 		5 LEU A 682
GLU A 676
LEU A 665
LEU A 671
GLY A 672
 None
 1.37A 1d4fD-3swvA:
undetectable		 1d4fD-3swvA:
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A 981
GLU A 896
LEU A 920
LEU A 891
PHE A 899
 None
MG  A2007 ( 4.1A)
None
None
None
 1.42A 1d4fD-3ummA:
4.3		 1d4fD-3ummA:
16.81
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 LEU A1127
HIS A1175
LEU A1219
GLY A 935
PHE A1123
 None
 1.44A 1d4fD-4bocA:
undetectable		 1d4fD-4bocA:
16.13
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.
4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1

(Homo sapiens) 		PF00043
(GST_C) 		5 THR B 114
GLU B  67
LEU B 102
GLY B 110
MET B  70
 None
 1.45A 1d4fD-4bvxB:
undetectable		 1d4fD-4bvxB:
17.59
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A  23
ASP A 581
ASP A 196
GLY A  17
PHE A  10
 None
 1.19A 1d4fD-4cw4A:
undetectable		 1d4fD-4cw4A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLU A  69
LEU A 281
LEU A  51
GLY A  47
PHE A 297
 FAD  A 601 (-2.8A)
None
None
FAD  A 601 (-3.6A)
None
 1.41A 1d4fD-4iv9A:
3.6		 1d4fD-4iv9A:
23.71
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 396
THR A 383
LEU A 411
GLY A 392
PHE A 121
 None
 1.36A 1d4fD-4iv9A:
3.6		 1d4fD-4iv9A:
23.71
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.
4jcc IRON-COMPOUND ABC
TRANSPORTER,
IRON-COMPOUND-BINDIN
G PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		5 LEU A 262
GLU A 205
ASP A 272
LEU A 203
GLY A 206
 None
 1.47A 1d4fD-4jccA:
undetectable		 1d4fD-4jccA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  57
HIS A  58
THR A  60
ASP A 135
LYS A 227
ASP A 231
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.38A 1d4fD-4lvcA:
56.5		 1d4fD-4lvcA:
58.09
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.
4q9t NUCLEOPORIN NUP133

(Vanderwaltozyma
polyspora) 		PF08801
(Nucleoporin_N) 		5 THR A  79
ASP A 104
LEU A  84
LEU A  81
GLY A 490
 None
 1.19A 1d4fD-4q9tA:
undetectable		 1d4fD-4q9tA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
 None
ZN  A1002 (-3.1A)
None
None
None
 1.37A 1d4fD-4qiwB:
undetectable		 1d4fD-4qiwB:
17.37
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.
4s05 DNA-BINDING
TRANSCRIPTIONAL
REGULATOR BASR

(Klebsiella
pneumoniae) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 LEU A  54
GLU A  35
LEU A  16
LEU A  13
GLY A  29
 None
 1.38A 1d4fD-4s05A:
2.9		 1d4fD-4s05A:
19.22
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.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 LEU A 276
LEU A 319
LEU A 316
GLY A 291
PHE A 263
 None
 1.44A 1d4fD-4u09A:
undetectable		 1d4fD-4u09A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uml GANGLIOSIDE-INDUCED
DIFFERENTIATION-ASSO
CIATED PROTEIN 2

(Homo sapiens) 		PF01661
(Macro) 		5 HIS A 127
GLU A 111
LEU A 101
LEU A  79
GLY A 106
 None
 1.41A 1d4fD-4umlA:
undetectable		 1d4fD-4umlA:
20.32
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.
4xko HEAT SHOCK COGNATE
90 KDA PROTEIN

(Dictyostelium
discoideum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 LEU A 133
THR A  25
ASP A 117
LEU A  18
LEU A  21
 None
 1.45A 1d4fD-4xkoA:
undetectable		 1d4fD-4xkoA:
21.07
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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		5 LEU A1188
THR A1254
GLU A1249
LEU A1231
GLY A1238
 None
 1.47A 1d4fD-4ziuA:
undetectable		 1d4fD-4ziuA:
21.27
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLU A 279
LEU A 294
LEU A 290
MET A 276
PHE A 274
 None
None
None
NAP  A 401 (-4.9A)
None
 1.45A 1d4fD-5dp2A:
5.2		 1d4fD-5dp2A:
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 THR A1032
ASP A1092
LEU A 974
LEU A1000
GLY A1001
 None
 1.35A 1d4fD-5fqdA:
undetectable		 1d4fD-5fqdA:
19.70
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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.39A 1d4fD-5h0rG:
undetectable		 1d4fD-5h0rG:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		5 LEU A  60
GLU A 124
LEU A  20
GLY A  23
PHE A 128
 None
 1.40A 1d4fD-5ht0A:
undetectable		 1d4fD-5ht0A:
20.45
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.
5kwa PROTEASOME-ASSOCIATE
D ATPASE

(Mycobacterium
tuberculosis) 		PF00004
(AAA)
PF16450
(Prot_ATP_ID_OB) 		5 LEU A 396
LEU A 426
LEU A 431
GLY A 288
PHE A 353
 None
 1.39A 1d4fD-5kwaA:
undetectable		 1d4fD-5kwaA:
22.95
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.
5liq NICKING ENDONUCLEASE
N.BSPD6I

(Bacillus sp.
(in: Bacteria)) 		PF09491
(RE_AlwI) 		5 LEU A 539
LEU A 545
LEU A 546
GLY A 424
PHE A 417
 None
 1.45A 1d4fD-5liqA:
2.0		 1d4fD-5liqA:
21.84
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
 None
 1.48A 1d4fD-5okoA:
undetectable		 1d4fD-5okoA:
19.80
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.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 212
ASP A 210
LEU A 131
LEU A 190
GLY A 189
 None
AE3  A 305 (-3.6A)
None
None
None
 1.49A 1d4fD-5tjzA:
7.1		 1d4fD-5tjzA:
11.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 123
THR A 124
ASP A 113
LEU A 156
LEU A 150
 None
 1.19A 1d4fD-5tovA:
28.0		 1d4fD-5tovA:
40.95
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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		5 LEU A 496
GLU A 489
LEU A 809
LEU A 787
GLY A 784
 None
 1.42A 1d4fD-5u70A:
2.1		 1d4fD-5u70A:
15.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  52
HIS A  53
THR A  55
GLU A  57
ASP A 137
LYS A 241
ASP A 245
LEU A 401
LEU A 404
GLY A 409
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.40A 1d4fD-5utuA:
51.5		 1d4fD-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  58
HIS A  59
THR A  61
GLU A  63
ASP A 136
LYS A 227
ASP A 231
LEU A 386
LEU A 389
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.36A 1d4fD-5v96A:
55.8		 1d4fD-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.74A 1d4fD-5w4bA:
53.7		 1d4fD-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
GLU A  59
ASP A 131
LYS A 186
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
9W4  A 502 (-3.8A)
None
None
9W4  A 502 (-3.6A)
None
 0.53A 1d4fD-5w4bA:
53.7		 1d4fD-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
ASP A 190
GLY A 352
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
None
 0.94A 1d4fD-5w4bA:
53.7		 1d4fD-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
 0.98A 1d4fD-5w4bA:
53.7		 1d4fD-5w4bA:
96.50
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 5 LEU C  85
GLU C 125
ASP C  79
LEU C 165
LEU C 162
 None
 1.28A 1d4fD-5wqlC:
undetectable		 1d4fD-5wqlC:
19.72
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.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 5 LEU A 193
LEU A 235
LEU A 214
MET A 182
PHE A 156
 None
 1.20A 1d4fD-5yq5A:
undetectable		 1d4fD-5yq5A:
10.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  57
HIS A  58
THR A  60
ASP A 136
LYS A 191
ASP A 195
LEU A 349
LEU A 352
GLY A 357
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.50A 1d4fD-6aphA:
61.5		 1d4fD-6aphA:
66.52
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 5 LEU A1746
LEU A1186
LEU A1185
GLY A1173
PHE A1749
 None
 1.42A 1d4fD-6b3rA:
undetectable		 1d4fD-6b3rA:
10.45
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.
6f3m -

(-) 		no annotation 10 HIS B  61
THR B  63
ASP B 139
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.45A 1d4fD-6f3mB:
55.2		 1d4fD-6f3mB:
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.
6gbn -

(-) 		no annotation 5 HIS A  56
ASP A 134
LYS A 189
ASP A 193
LEU A 347
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
 1.35A 1d4fD-6gbnA:
61.6		 1d4fD-6gbnA:
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.
6gbn -

(-) 		no annotation 11 LEU A  55
HIS A  56
THR A  58
ASP A 134
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.41A 1d4fD-6gbnA:
61.6		 1d4fD-6gbnA:
undetectable