SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4F_B_ADNB602

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
 1.24A 1d4fB-1g7rA:
2.0		 1d4fB-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.
1o73 TRYPAREDOXIN

(Trypanosoma
brucei) 		PF13905
(Thioredoxin_8) 		5 LEU A  33
LEU A  26
LEU A   4
GLY A   3
PHE A 104
 None
 1.45A 1d4fB-1o73A:
1.9		 1d4fB-1o73A:
16.36
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 LEU A 516
LEU A  31
GLY A  62
MET A 533
PHE A 534
 None
 1.42A 1d4fB-1t1uA:
undetectable		 1d4fB-1t1uA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uan HYPOTHETICAL PROTEIN
TT1542

(Thermus
thermophilus) 		PF02585
(PIG-L) 		5 HIS A  10
ASP A  13
HIS A 111
GLY A  43
PHE A 177
 None
 1.37A 1d4fB-1uanA:
3.1		 1d4fB-1uanA:
19.82
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.
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
 1.42A 1d4fB-1um8A:
0.0		 1d4fB-1um8A:
23.16
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)
 1.36A 1d4fB-1v8bA:
54.1		 1d4fB-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) 		11 LEU A  53
HIS A  54
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 (-3.6A)
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
 0.35A 1d4fB-1v8bA:
54.1		 1d4fB-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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 199
ASP A 195
ASP A 103
HIS A 268
LEU A 252
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
NAP  A 800 (-2.9A)
FE  A 400 (-3.4A)
NAP  A 800 (-4.6A)
 1.27A 1d4fB-1vljA:
2.6		 1d4fB-1vljA:
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.
1wyl NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Homo sapiens) 		PF00307
(CH) 		5 LEU A  78
LEU A  53
LEU A  52
GLY A  51
PHE A 109
 None
 1.34A 1d4fB-1wylA:
undetectable		 1d4fB-1wylA:
14.63
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.
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
 1.26A 1d4fB-1y23A:
undetectable		 1d4fB-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.
1z6m CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13462
(Thioredoxin_4) 		5 GLU A 138
ASP A  67
HIS A  81
LEU A 131
GLY A  16
 None
 1.19A 1d4fB-1z6mA:
0.6		 1d4fB-1z6mA:
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.
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
 1.45A 1d4fB-2b4wA:
undetectable		 1d4fB-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.
2cqz 177AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13023
(HD_3) 		5 HIS A  67
ASP A  68
LYS A  87
HIS A  33
PHE A  95
 NI  A 601 (-3.5A)
NI  A 601 (-2.8A)
None
NI  A 601 (-3.4A)
None
 1.43A 1d4fB-2cqzA:
undetectable		 1d4fB-2cqzA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 1d4fB-2culA:
3.2		 1d4fB-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.
2fy2 CHOLINE
O-ACETYLTRANSFERASE

(Homo sapiens) 		PF00755
(Carn_acyltransf) 		5 LEU A 506
LEU A  21
GLY A  52
MET A 523
PHE A 524
 None
 1.45A 1d4fB-2fy2A:
undetectable		 1d4fB-2fy2A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.41A 1d4fB-2gv9A:
undetectable		 1d4fB-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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
 None
 1.32A 1d4fB-2hp3A:
undetectable		 1d4fB-2hp3A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 GLU A  75
ASP A  88
HIS A  80
GLY A 110
PHE A 116
 None
GOL  A 509 (-3.4A)
None
None
None
 1.35A 1d4fB-2hxvA:
undetectable		 1d4fB-2hxvA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 1d4fB-2i1sA:
undetectable		 1d4fB-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
 1.33A 1d4fB-2it1A:
undetectable		 1d4fB-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.
2reb REC A

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A 263
GLU A 273
LYS A 310
LEU A 107
GLY A  43
 None
 1.21A 1d4fB-2rebA:
undetectable		 1d4fB-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
 1.24A 1d4fB-2vzbA:
undetectable		 1d4fB-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.
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
 1.36A 1d4fB-2yh0A:
undetectable		 1d4fB-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
 1.37A 1d4fB-2yocA:
undetectable		 1d4fB-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.
2ysz AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 2
AND AMYLOID BETA A4
PROTEIN

(Mus musculus) 		PF00640
(PID)
PF10515
(APP_amyloid) 		5 HIS A 163
LEU A 164
GLY A  91
MET A  34
PHE A  87
 None
 1.40A 1d4fB-2yszA:
undetectable		 1d4fB-2yszA:
18.96
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.
2yt0 AMYLOID BETA A4
PROTEIN AND AMYLOID
BETA A4 PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 2

(Mus musculus) 		PF00640
(PID)
PF10515
(APP_amyloid) 		5 HIS A  17
LEU A  18
GLY A 137
MET A  80
PHE A 133
 None
 1.37A 1d4fB-2yt0A:
undetectable		 1d4fB-2yt0A:
16.20
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)
 1.44A 1d4fB-3ce6A:
55.0		 1d4fB-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
ASP A 156
LYS A 248
ASP A 252
HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.7A)
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)
 0.55A 1d4fB-3ce6A:
55.0		 1d4fB-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
 1.35A 1d4fB-3cmuA:
undetectable		 1d4fB-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
 1.31A 1d4fB-3cmuA:
undetectable		 1d4fB-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
 1.30A 1d4fB-3cmuA:
undetectable		 1d4fB-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
 1.31A 1d4fB-3cmuA:
undetectable		 1d4fB-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
 1.32A 1d4fB-3cmuA:
undetectable		 1d4fB-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
 1.39A 1d4fB-3cmuA:
undetectable		 1d4fB-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
 1.34A 1d4fB-3cmvA:
undetectable		 1d4fB-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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.42A 1d4fB-3d6nA:
undetectable		 1d4fB-3d6nA:
23.65
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.
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 1d4fB-3dobA:
undetectable		 1d4fB-3dobA:
15.40
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.
3dwv GLUTATHIONE
PEROXIDASE-LIKE
PROTEIN

(Trypanosoma
brucei) 		PF00255
(GSHPx) 		5 LEU A  39
GLU A 152
LEU A 171
LEU A 170
PHE A 154
 None
 1.44A 1d4fB-3dwvA:
undetectable		 1d4fB-3dwvA:
20.05
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
ASP A 130
HIS A 300
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-4.1A)
ADN  A 438 ( 4.0A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 0.71A 1d4fB-3g1uA:
59.8		 1d4fB-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)
 1.42A 1d4fB-3glqA:
57.2		 1d4fB-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
ASP A 139
LYS A 229
ASP A 233
HIS A 344
LEU A 385
LEU A 388
GLY A 393
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.48A 1d4fB-3glqA:
57.2		 1d4fB-3glqA:
56.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		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)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP B 987
HIS B1065
LEU A 664
GLY B 821
MET B 981
 None
 1.41A 1d4fB-3h0gB:
undetectable		 1d4fB-3h0gB:
14.93
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 346
 ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 1.44A 1d4fB-3h9uA:
61.6		 1d4fB-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
ASP A 130
LYS A 185
ASP A 189
HIS A 300
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
None
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.42A 1d4fB-3h9uA:
61.6		 1d4fB-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.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 LEU A  98
LEU A 106
LEU A  67
MET A  13
PHE A  71
 None
 1.43A 1d4fB-3htvA:
undetectable		 1d4fB-3htvA:
24.32
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.
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
 1.16A 1d4fB-3k9cA:
6.4		 1d4fB-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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 LEU A  95
HIS A  74
ASP A 230
LEU A  72
GLY A  76
 None
 1.32A 1d4fB-3msuA:
undetectable		 1d4fB-3msuA:
20.97
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) 		5 HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.42A 1d4fB-3n58A:
57.0		 1d4fB-3n58A:
58.89
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
ASP A 132
LYS A 222
ASP A 226
HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.47A 1d4fB-3n58A:
57.0		 1d4fB-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.
3n77 NUCLEOSIDE
TRIPHOSPHATASE NUDI

(Salmonella
enterica) 		PF00293
(NUDIX) 		5 LEU A  58
GLU A 110
LEU A  50
GLY A  38
PHE A 111
 None
 1.11A 1d4fB-3n77A:
undetectable		 1d4fB-3n77A:
15.14
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		5 LEU A 200
GLU A 169
LEU A 195
LEU A 135
GLY A 132
 None
 1.44A 1d4fB-3o07A:
undetectable		 1d4fB-3o07A:
22.65
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
ASP A 139
LYS A 235
ASP A 239
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
None
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 1d4fB-3oneA:
53.9		 1d4fB-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
HIS A  62
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 (-4.6A)
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)
 0.63A 1d4fB-3oneA:
53.9		 1d4fB-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.
3qvn MANGANESE-CONTAINING
SUPEROXIDE DISMUTASE

(Candida
albicans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A  80
ASP A 170
HIS A 174
GLY A  75
PHE A 136
 MN  A 207 (-3.4A)
MN  A 207 (-2.7A)
MN  A 207 (-3.0A)
None
None
 0.96A 1d4fB-3qvnA:
undetectable		 1d4fB-3qvnA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1d4fB-3swvA:
undetectable		 1d4fB-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.
3u1t DMMA HALOALKANE
DEHALOGENASE

(unidentified) 		PF00561
(Abhydrolase_1) 		5 LEU A  84
GLU A 228
ASP A 320
HIS A 315
LEU A 215
 None
None
None
MLI  A 351 (-3.3A)
None
 1.40A 1d4fB-3u1tA:
5.4		 1d4fB-3u1tA:
22.43
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 LEU A 597
ASP A 558
HIS A 507
LEU A 389
GLY A 329
 None
 1.42A 1d4fB-3wfaA:
undetectable		 1d4fB-3wfaA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 404
HIS A 305
GLU A 220
HIS A 397
LEU A 309
 None
ED9  A 501 (-3.9A)
None
ED9  A 501 (-3.9A)
ED9  A 501 (-4.9A)
 1.34A 1d4fB-3wgpA:
undetectable		 1d4fB-3wgpA:
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.
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
 1.20A 1d4fB-4cw4A:
undetectable		 1d4fB-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.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		5 HIS A 120
ASP A 124
ASP A 158
HIS A  58
LEU A  42
 ZN  A 451 ( 3.4A)
ZN  A 453 (-2.6A)
ZN  A 452 (-2.0A)
ZN  A 451 ( 3.2A)
None
 1.40A 1d4fB-4cxoA:
undetectable		 1d4fB-4cxoA:
18.75
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.
4f6e SUPEROXIDE DISMUTASE
[MN], MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A  81
ASP A 168
HIS A 172
GLY A  76
PHE A 135
 MN  A 301 (-3.4A)
MN  A 301 (-2.6A)
MN  A 301 (-3.4A)
MLY  A  72 ( 3.5A)
None
 1.03A 1d4fB-4f6eA:
undetectable		 1d4fB-4f6eA:
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 LEU A 102
ASP A  20
ASP A 212
LEU A 169
GLY A 165
 None
 1.43A 1d4fB-4lq0A:
undetectable		 1d4fB-4lq0A:
22.92
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) 		5 HIS A  58
ASP A 135
LYS A 227
ASP A 231
LEU A 386
 ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 1.37A 1d4fB-4lvcA:
56.8		 1d4fB-4lvcA:
58.09
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
ASP A 135
LYS A 227
ASP A 231
HIS A 342
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 3.7A)
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)
 0.39A 1d4fB-4lvcA:
56.8		 1d4fB-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.
4oic BET V I
ALLERGEN-LIKE

(Oryza sativa) 		PF10604
(Polyketide_cyc2) 		5 LEU A  21
HIS A  29
LEU A  48
GLY A  12
PHE A 144
 None
 1.45A 1d4fB-4oicA:
undetectable		 1d4fB-4oicA:
18.01
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.
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
 1.40A 1d4fB-4qiwB:
undetectable		 1d4fB-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.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 150
ASP A 447
HIS A 100
LEU A 108
GLY A 186
 2CH  A 503 (-4.2A)
2CH  A 503 ( 4.6A)
None
None
None
 1.43A 1d4fB-4qorA:
undetectable		 1d4fB-4qorA:
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.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 LEU A 276
LEU A 319
LEU A 316
GLY A 291
PHE A 263
 None
 1.41A 1d4fB-4u09A:
undetectable		 1d4fB-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.
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
 1.41A 1d4fB-5dp2A:
4.2		 1d4fB-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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.32A 1d4fB-5h0rG:
undetectable		 1d4fB-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
 1.44A 1d4fB-5ht0A:
undetectable		 1d4fB-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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
 None
 1.44A 1d4fB-5jiuA:
undetectable		 1d4fB-5jiuA:
20.76
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.
5kqc PEPTIDASE M23

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 159
ASP A  80
HIS A  76
LEU A 124
GLY A 106
 ZN  A 201 (-3.2A)
ZN  A 201 (-1.5A)
ZN  A 201 (-3.7A)
None
None
 1.45A 1d4fB-5kqcA:
undetectable		 1d4fB-5kqcA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 1d4fB-5liqA:
undetectable		 1d4fB-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.
5m30 TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		5 LEU A 189
HIS A 260
ASP A  31
HIS A 292
GLY A  37
 None
 1.06A 1d4fB-5m30A:
undetectable		 1d4fB-5m30A:
22.44
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.
5m30 TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		5 LEU A 189
HIS A 260
HIS A 292
LEU A  38
GLY A  37
 None
 1.30A 1d4fB-5m30A:
undetectable		 1d4fB-5m30A:
22.44
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.
5mwn TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		5 LEU A 189
HIS A 260
HIS A 292
LEU A  38
GLY A  37
 None
 1.30A 1d4fB-5mwnA:
undetectable		 1d4fB-5mwnA:
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.
5mxp -

(-) 		no annotation 5 LEU A  46
GLU A 186
ASP A 278
HIS A 273
LEU A 174
 None
None
None
ACT  A 401 ( 4.3A)
None
 1.42A 1d4fB-5mxpA:
5.5		 1d4fB-5mxpA:
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.
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
 1.44A 1d4fB-5okoA:
undetectable		 1d4fB-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.
5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14

(Homo sapiens) 		PF05063
(MT-A70) 		5 HIS B 287
GLU B 197
HIS A 482
LEU B 241
GLY B 238
 None
 1.23A 1d4fB-5teyB:
undetectable		 1d4fB-5teyB:
22.67
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) 		5 HIS A  53
ASP A 137
LYS A 241
ASP A 245
LEU A 404
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
 1.39A 1d4fB-5utuA:
36.1		 1d4fB-5utuA:
48.69
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) 		11 LEU A  52
HIS A  53
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 (-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)
 0.35A 1d4fB-5utuA:
36.1		 1d4fB-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) 		5 HIS A  59
ASP A 136
LYS A 227
ASP A 231
LEU A 389
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 1.38A 1d4fB-5v96A:
56.1		 1d4fB-5v96A:
57.26
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) 		11 LEU A  58
HIS A  59
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 (-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)
 0.35A 1d4fB-5v96A:
56.1		 1d4fB-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) 		6 LEU A  54
HIS A  55
ASP A 131
LYS A 186
ASP A 190
PHE A 362
 None
9W4  A 502 (-3.7A)
None
None
NAD  A 501 (-4.1A)
None
 0.79A 1d4fB-5w4bA:
53.5		 1d4fB-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) 		7 LEU A  54
HIS A  55
GLU A  59
ASP A 131
LYS A 186
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-3.8A)
None
None
9W4  A 502 (-3.6A)
None
 0.55A 1d4fB-5w4bA:
53.5		 1d4fB-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
LEU A 344
LEU A 347
GLY A 352
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
 0.93A 1d4fB-5w4bA:
53.5		 1d4fB-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
LEU A 344
LEU A 347
GLY A 352
MET A 358
 None
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
 0.71A 1d4fB-5w4bA:
53.5		 1d4fB-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
 1.29A 1d4fB-5wqlC:
undetectable		 1d4fB-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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 GLU A 572
ASP A 187
LEU A 386
LEU A 245
GLY A 244
 None
 1.35A 1d4fB-5xmjA:
2.1		 1d4fB-5xmjA:
10.87
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.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 5 LEU A 193
LEU A 235
LEU A 214
MET A 182
PHE A 156
 None
 1.24A 1d4fB-5yq5A:
undetectable		 1d4fB-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) 		5 HIS A  58
ASP A 136
LYS A 191
ASP A 195
LEU A 352
 ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
 1.43A 1d4fB-6aphA:
61.5		 1d4fB-6aphA:
66.52
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
ASP A 136
LYS A 191
ASP A 195
HIS A 306
LEU A 349
LEU A 352
GLY A 357
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.52A 1d4fB-6aphA:
61.5		 1d4fB-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
 1.38A 1d4fB-6b3rA:
undetectable		 1d4fB-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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 GLU A 488
HIS A 460
LEU A 444
LEU A 448
PHE A 489
 None
 1.42A 1d4fB-6c01A:
undetectable		 1d4fB-6c01A:
9.39
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 LEU E 885
LEU E 876
LEU E 875
GLY E 871
PHE E 856
 None
 1.45A 1d4fB-6c3pE:
undetectable		 1d4fB-6c3pE:
13.30
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.
6f3m -

(-) 		no annotation 10 HIS B  61
ASP B 139
LYS B 194
ASP B 198
HIS B 323
LEU B 373
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ZN  B 505 (-3.2A)
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)
 0.41A 1d4fB-6f3mB:
55.2		 1d4fB-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.
6f3m -

(-) 		no annotation 5 HIS B  61
ASP B 139
LYS B 194
ASP B 198
LEU B 376
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
 1.40A 1d4fB-6f3mB:
55.2		 1d4fB-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 350
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.42A 1d4fB-6gbnA:
61.7		 1d4fB-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
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.6A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.37A 1d4fB-6gbnA:
61.7		 1d4fB-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.
1ah9 INITIATION FACTOR 1

(Escherichia
coli) 		PF01176
(eIF-1a) 		4 THR A  53
GLU A  55
THR A  57
HIS A  34
 None
 1.39A 1d4fB-1ah9A:
undetectable		 1d4fB-1ah9A:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bci CYTOSOLIC
PHOSPHOLIPASE A2

(Homo sapiens) 		PF00168
(C2) 		4 THR A  52
THR A  53
THR A  21
HIS A  18
 None
 1.23A 1d4fB-1bciA:
undetectable		 1d4fB-1bciA:
15.72
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.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		4 THR A 216
THR A 215
GLU A 108
THR A 109
 None
 1.43A 1d4fB-1bsgA:
0.0		 1d4fB-1bsgA:
22.20
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.
1d2n N-ETHYLMALEIMIDE-SEN
SITIVE FUSION
PROTEIN

(Cricetulus
griseus) 		PF00004
(AAA) 		4 THR A 558
THR A 653
GLU A 614
HIS A 554
 MG  A  99 ( 3.2A)
None
None
ANP  A   1 (-4.7A)
 1.20A 1d4fB-1d2nA:
0.0		 1d4fB-1d2nA:
18.94
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.
1hze RIBOFLAVIN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00677
(Lum_binding) 		4 THR A  71
THR A  67
THR A  50
HIS A  44
 None
RBF  A  98 (-3.1A)
None
None
 1.34A 1d4fB-1hzeA:
undetectable		 1d4fB-1hzeA:
12.38
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 583
THR A 394
GLU A 391
THR A 380
 None
 1.34A 1d4fB-1kcwA:
0.0		 1d4fB-1kcwA:
16.89
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.
1l3l TRANSCRIPTIONAL
ACTIVATOR PROTEIN
TRAR

(Agrobacterium
tumefaciens) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 THR A  51
THR A 167
THR A  60
HIS A  54
 LAE  A1003 ( 4.2A)
None
None
None
 1.44A 1d4fB-1l3lA:
undetectable		 1d4fB-1l3lA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 THR A  30
THR A 389
GLU A 341
HIS A  52
 None
 1.44A 1d4fB-1mb9A:
2.5		 1d4fB-1mb9A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		4 THR C 153
THR C  73
GLU C  80
THR C  79
 None
 1.41A 1d4fB-1pfxC:
undetectable		 1d4fB-1pfxC:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s3k HU3S193 FAB
FRAGMENT, HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR H  78
THR H  24
GLU H   6
THR H 113
 None
 1.43A 1d4fB-1s3kH:
undetectable		 1d4fB-1s3kH:
18.27
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.
1tte UBIQUITIN-CONJUGATIN
G ENZYME E2-24 KDA

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con)
PF09288
(UBA_3) 		4 THR A  73
GLU A  48
THR A  45
HIS A  77
 None
 1.32A 1d4fB-1tteA:
undetectable		 1d4fB-1tteA:
17.67
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) 		4 THR A  56
GLU A 200
THR A 201
HIS A 398
 ADN  A 502 (-3.0A)
ADN  A 502 (-4.0A)
NAD  A 501 ( 2.8A)
ADN  A 502 ( 3.5A)
 0.60A 1d4fB-1v8bA:
54.1		 1d4fB-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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 THR B 403
GLU B 417
THR B 419
HIS B 272
 None
 1.37A 1d4fB-1wytB:
1.6		 1d4fB-1wytB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		4 THR A1206
THR A1207
THR A1325
HIS A1116
 None
 1.39A 1d4fB-1xv5A:
3.9		 1d4fB-1xv5A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 THR A  20
GLU A 232
THR A 213
HIS A  66
 None
None
None
ZN  A 401 (-3.2A)
 1.10A 1d4fB-2cbnA:
undetectable		 1d4fB-2cbnA:
22.75
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 150
THR A 153
THR A 243
HIS A  41
 None
 1.26A 1d4fB-2eihA:
5.0		 1d4fB-2eihA:
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 133
THR A 132
GLU A 358
THR A 357
 None
 1.08A 1d4fB-2f00A:
2.0		 1d4fB-2f00A:
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.
2f1f ACETOLACTATE
SYNTHASE ISOZYME III
SMALL SUBUNIT

(Escherichia
coli) 		PF10369
(ALS_ss_C)
PF13710
(ACT_5) 		4 THR A  47
THR A  34
GLU A  85
THR A 127
 None
 1.03A 1d4fB-2f1fA:
undetectable		 1d4fB-2f1fA:
17.40
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 THR A  99
THR A  96
THR A 177
HIS A  76
 None
None
None
ZN  A 481 (-3.4A)
 1.28A 1d4fB-2i7tA:
undetectable		 1d4fB-2i7tA:
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.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		4 THR A1027
THR A1056
THR A1034
HIS A1030
 None
None
None
LGG  A   1 (-4.2A)
 1.28A 1d4fB-2iphA:
undetectable		 1d4fB-2iphA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 THR A1546
THR A1544
GLU A1553
THR A1556
 None
 1.31A 1d4fB-2pffA:
5.2		 1d4fB-2pffA:
12.66
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		4 THR A 168
THR A 169
GLU A 174
HIS A 178
 None
 1.44A 1d4fB-2q01A:
undetectable		 1d4fB-2q01A:
23.21
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 THR A 145
GLU A 140
THR A 139
HIS A  83
 DFD  A 760 (-3.6A)
None
None
None
 1.32A 1d4fB-2qnyA:
undetectable		 1d4fB-2qnyA:
24.24
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.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 THR A  11
THR A 120
THR A 201
HIS A  15
 None
 1.37A 1d4fB-2rcbA:
undetectable		 1d4fB-2rcbA:
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.
2rpi RIBONUCLEASE H

(Thermus
thermophilus) 		PF00075
(RNase_H) 		4 THR A  26
GLU A  31
THR A  52
HIS A  55
 None
 1.44A 1d4fB-2rpiA:
undetectable		 1d4fB-2rpiA:
13.82
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 THR A1890
THR A1915
GLU A1958
THR A1957
 None
NAP  A3002 (-4.3A)
None
None
 1.42A 1d4fB-2vz9A:
undetectable		 1d4fB-2vz9A:
10.30
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		4 THR A 224
THR A 225
GLU A 122
THR A 119
 None
 1.37A 1d4fB-2wnbA:
undetectable		 1d4fB-2wnbA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 THR A 269
THR A 266
THR A 350
HIS A 247
 None
None
None
ZN  A1639 (-3.3A)
 1.38A 1d4fB-2xr1A:
undetectable		 1d4fB-2xr1A:
20.44
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		4 THR A 187
THR A 188
GLU A 257
THR A 253
 None
None
IMD  A 501 (-3.5A)
None
 1.29A 1d4fB-2z3tA:
undetectable		 1d4fB-2z3tA:
23.03
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		4 THR A 340
THR A 339
GLU A 334
HIS A 369
 None
 1.43A 1d4fB-2z6hA:
undetectable		 1d4fB-2z6hA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zu6 EUKARYOTIC
INITIATION FACTOR
4A-I
PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02847
(MA3) 		4 THR B 169
GLU A 111
THR A 109
HIS B 215
 None
 1.33A 1d4fB-2zu6B:
undetectable		 1d4fB-2zu6B:
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 THR A 284
THR A 281
THR A 365
HIS A 261
 None
None
None
ZN  A 665 (-3.3A)
 1.32A 1d4fB-3af5A:
2.8		 1d4fB-3af5A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bql ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 THR A1269
GLU A1307
THR A1308
HIS A1315
 None
 1.40A 1d4fB-3bqlA:
undetectable		 1d4fB-3bqlA:
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 THR A 378
THR A 376
GLU A 453
HIS A 402
 None
 1.37A 1d4fB-3cdiA:
undetectable		 1d4fB-3cdiA:
19.53
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 THR A  71
THR A  74
GLU A 218
THR A 219
HIS A 416
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.6A)
 0.80A 1d4fB-3ce6A:
55.0		 1d4fB-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.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		4 THR A 122
THR A  90
THR A  77
HIS A 112
 None
None
None
NDP  A   1 (-4.0A)
 1.10A 1d4fB-3d3fA:
undetectable		 1d4fB-3d3fA:
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.
3f1k UNCHARACTERIZED
OXIDOREDUCTASE YCIK

(Escherichia
coli) 		PF00106
(adh_short) 		4 THR A 197
THR A 199
GLU A  27
THR A  31
 NAP  A 300 (-4.1A)
NAP  A 300 (-2.8A)
None
None
 1.35A 1d4fB-3f1kA:
8.9		 1d4fB-3f1kA:
19.86
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) 		5 THR A  54
THR A  57
GLU A 155
THR A 156
HIS A 352
 ADN  A 438 (-2.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 3.6A)
 0.59A 1d4fB-3g1uA:
59.8		 1d4fB-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 THR A  64
THR A  67
GLU A 199
THR A 200
HIS A 394
 RAB  A 602 (-2.7A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
NAD  A 601 ( 3.6A)
 0.69A 1d4fB-3glqA:
57.2		 1d4fB-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 THR A  54
THR A  57
GLU A 155
THR A 156
HIS A 352
 ADN  A 439 (-2.7A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
ADN  A 439 ( 3.3A)
 0.66A 1d4fB-3h9uA:
61.6		 1d4fB-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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		4 THR A 331
THR A 330
GLU A 325
HIS A 360
 None
 1.43A 1d4fB-3ifqA:
undetectable		 1d4fB-3ifqA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 THR B 355
THR B 382
GLU B 219
THR B 216
 None
 1.03A 1d4fB-3m2rB:
undetectable		 1d4fB-3m2rB:
22.44
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.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 THR A 372
THR A 374
THR A 352
HIS A 344
 None
 1.42A 1d4fB-3mebA:
undetectable		 1d4fB-3mebA:
22.87
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) 		5 THR A  57
THR A  60
GLU A 192
THR A 193
HIS A 387
 ADN  A 500 (-2.8A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-3.4A)
 0.59A 1d4fB-3n58A:
57.0		 1d4fB-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.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		4 THR A 139
THR A 105
THR A  92
HIS A 127
 None
None
None
GOL  A 300 (-4.1A)
 1.05A 1d4fB-3o0kA:
undetectable		 1d4fB-3o0kA:
21.23
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 THR A  64
THR A  67
GLU A 205
THR A 206
HIS A 404
 ADE  A 506 (-2.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
ADE  A 506 (-3.4A)
 0.56A 1d4fB-3oneA:
53.9		 1d4fB-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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 THR A  66
THR A  64
THR A 320
HIS A  73
 None
 1.42A 1d4fB-3qj4A:
undetectable		 1d4fB-3qj4A:
21.82
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.
3qre ENOYL-COA HYDRATASE,
ECHA12_1

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 THR A  60
THR A  23
GLU A  13
THR A  15
 None
 1.28A 1d4fB-3qreA:
undetectable		 1d4fB-3qreA:
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.
3ux1 CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 THR A 569
THR A 568
GLU A 565
THR A 729
 None
 1.27A 1d4fB-3ux1A:
undetectable		 1d4fB-3ux1A:
20.73
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		4 THR A 164
GLU A  89
THR A  90
HIS A 184
 None
 1.42A 1d4fB-3v4cA:
4.5		 1d4fB-3v4cA:
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		4 THR B 133
THR B 134
THR B 282
HIS B  16
 None
None
2XP  B 402 (-3.6A)
None
 1.42A 1d4fB-3vsjB:
undetectable		 1d4fB-3vsjB:
20.67
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.
3wks O-PHOSPHO-L-SERYL-TR
NA:CYS-TRNA SYNTHASE

(Methanocaldococcus
jannaschii) 		PF05889
(SepSecS) 		4 THR A 128
GLU A 103
THR A  98
HIS A 233
 LLP  A 234 ( 4.3A)
None
None
LLP  A 234 ( 3.5A)
 1.39A 1d4fB-3wksA:
undetectable		 1d4fB-3wksA:
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		4 THR A  52
THR A  53
GLU A 241
THR A 173
 None
 1.22A 1d4fB-3wstA:
4.4		 1d4fB-3wstA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ads PDX2 PROTEIN

(Plasmodium
falciparum) 		PF01174
(SNO) 		4 THR G  86
THR G 193
THR G 149
HIS G  21
 None
 1.33A 1d4fB-4adsG:
3.0		 1d4fB-4adsG:
17.51
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.
4aod ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 1

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		4 THR A 197
THR A 196
GLU A 194
THR A 192
 None
 1.35A 1d4fB-4aodA:
undetectable		 1d4fB-4aodA:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR B1881
GLU B1840
THR B1729
HIS B1725
 None
None
None
CUO  B9005 (-3.1A)
 1.36A 1d4fB-4bedB:
undetectable		 1d4fB-4bedB:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR B2704
GLU B2663
THR B2565
HIS B2561
 None
None
None
CUO  B9007 (-3.3A)
 1.26A 1d4fB-4bedB:
undetectable		 1d4fB-4bedB:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dx8 KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF16705
(NUDIX_5) 		4 THR H 153
GLU H  55
THR H  56
HIS H  38
 None
 1.08A 1d4fB-4dx8H:
undetectable		 1d4fB-4dx8H:
17.40
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.
4ghk GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		4 THR A 260
GLU A 318
THR A 317
HIS A 231
 None
 1.11A 1d4fB-4ghkA:
3.2		 1d4fB-4ghkA:
22.29
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.
4hpp PROBABLE GLUTAMINE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00120
(Gln-synt_C)
PF16952
(Gln-synt_N_2) 		4 THR A 281
THR A 340
THR A 232
HIS A 236
 None
None
GLU  A 503 (-4.2A)
GLU  A 503 (-4.1A)
 1.23A 1d4fB-4hppA:
undetectable		 1d4fB-4hppA:
20.67
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 THR A  13
THR A  14
GLU A 231
HIS A 227
 None
 1.33A 1d4fB-4hwiA:
undetectable		 1d4fB-4hwiA:
23.87
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 120
THR A 124
GLU A   4
THR A   3
 None
SO4  A 502 (-3.7A)
None
None
 1.41A 1d4fB-4jq9A:
4.1		 1d4fB-4jq9A:
23.51
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.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		4 THR A 592
THR A 588
GLU A 647
THR A 645
 None
 1.30A 1d4fB-4k35A:
undetectable		 1d4fB-4k35A:
19.26
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		4 THR A 186
THR A 179
GLU A 210
HIS A 208
 None
 1.28A 1d4fB-4k9sA:
undetectable		 1d4fB-4k9sA:
24.63
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 THR A 867
GLU A 879
THR A 881
HIS A 732
 CME  A 974 ( 3.9A)
None
None
None
 1.38A 1d4fB-4lglA:
undetectable		 1d4fB-4lglA:
19.36
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.
4lob POLYPRENYL
SYNTHETASE

(Acinetobacter
baumannii) 		PF00348
(polyprenyl_synt) 		4 THR A 294
THR A 317
GLU A  -6
THR A  -7
 None
 1.39A 1d4fB-4lobA:
undetectable		 1d4fB-4lobA:
21.35
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) 		5 THR A  60
THR A  63
GLU A 197
THR A 198
HIS A 392
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.5A)
 0.58A 1d4fB-4lvcA:
56.8		 1d4fB-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.
4nqw ANTI-SIGMA-K FACTOR
RSKA
ECF RNA POLYMERASE
SIGMA FACTOR SIGK

(Mycobacterium
tuberculosis) 		PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4)
no annotation 		4 THR A  54
THR A  55
THR B  62
HIS A  85
 None
 1.10A 1d4fB-4nqwA:
undetectable		 1d4fB-4nqwA:
18.73
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		4 THR A 117
THR A 196
GLU A 106
THR A 110
 None
 1.36A 1d4fB-4qiqA:
undetectable		 1d4fB-4qiqA:
22.70
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.
4r0b GLYCODELIN

(Homo sapiens) 		PF00061
(Lipocalin) 		4 THR A 112
THR A 111
GLU A  91
THR A  93
 None
 1.41A 1d4fB-4r0bA:
undetectable		 1d4fB-4r0bA:
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		4 THR A 247
GLU A 291
THR A 293
HIS A 272
 None
 1.40A 1d4fB-4rmlA:
undetectable		 1d4fB-4rmlA:
20.36
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 THR P 422
THR P 423
GLU P 536
HIS P 496
 None
None
ZN  P 701 (-2.4A)
None
 1.39A 1d4fB-4s2tP:
undetectable		 1d4fB-4s2tP:
21.95
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.
4xy3 ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPB

(Mycobacterium
tuberculosis) 		no annotation 4 THR A  40
GLU A  38
THR A 142
HIS A 216
 None
 1.42A 1d4fB-4xy3A:
undetectable		 1d4fB-4xy3A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		4 THR A  59
GLU A 131
THR A 133
HIS A 145
 None
 1.35A 1d4fB-4zv3A:
undetectable		 1d4fB-4zv3A:
21.87
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.
5amo NOELIN

(Mus musculus) 		PF02191
(OLF) 		4 THR A 422
THR A 415
GLU A 404
HIS A 448
 None
 1.44A 1d4fB-5amoA:
undetectable		 1d4fB-5amoA:
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 THR A 248
THR A 298
THR A 194
HIS A 237
 None
 1.31A 1d4fB-5gz4A:
undetectable		 1d4fB-5gz4A:
18.90
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.
5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR

(Acinetobacter
sp. ADP1) 		PF01614
(IclR) 		4 THR A 200
THR A 196
THR A 187
HIS A 157
 None
 1.34A 1d4fB-5hpiA:
undetectable		 1d4fB-5hpiA:
19.34
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.
5hpz WATER-SOLUBLE
CHLOROPHYLL PROTEIN

(Brassicaceae) 		PF00197
(Kunitz_legume) 		4 THR A 166
THR A 143
GLU A 127
THR A  74
 None
 1.44A 1d4fB-5hpzA:
undetectable		 1d4fB-5hpzA:
16.58
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.
5keu TAURINE DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF02668
(TauD) 		4 THR A 145
THR A 245
GLU A 243
HIS A 238
 None
 1.43A 1d4fB-5keuA:
undetectable		 1d4fB-5keuA:
21.82
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 THR A 487
THR A 470
THR A 723
HIS A 545
 None
None
None
ZN  A 902 (-3.4A)
 1.37A 1d4fB-5mtzA:
undetectable		 1d4fB-5mtzA:
19.29
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.
5opt 40S RIBOSOMAL
PROTEIN S4

(Trypanosoma
cruzi) 		no annotation 4 THR L 181
GLU L 124
THR L 138
HIS L  33
 None
 1.31A 1d4fB-5optL:
undetectable		 1d4fB-5optL:
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.
5usd PEPTIDASE S66

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 THR A 237
THR A 233
THR A 207
HIS A 299
 None
None
None
DSZ  A 401 (-4.0A)
 1.19A 1d4fB-5usdA:
2.8		 1d4fB-5usdA:
20.68
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.
5usd PEPTIDASE S66

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 THR A 301
THR A 300
GLU A 228
HIS A 133
 None
None
None
DSZ  A 401 (-4.2A)
 1.32A 1d4fB-5usdA:
2.8		 1d4fB-5usdA:
20.68
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) 		5 THR A  55
THR A  58
GLU A 211
THR A 212
HIS A 410
 SAH  A 502 (-2.7A)
SAH  A 502 (-4.2A)
SAH  A 502 (-3.8A)
NAD  A 501 ( 4.1A)
SAH  A 502 ( 3.5A)
 0.74A 1d4fB-5utuA:
36.1		 1d4fB-5utuA:
48.69
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39

(Saccharomyces
cerevisiae) 		no annotation 4 THR E 440
THR E 441
GLU E 404
THR E 405
 None
 1.30A 1d4fB-5uz5E:
undetectable		 1d4fB-5uz5E:
21.89
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) 		5 THR A  61
THR A  64
GLU A 197
THR A 198
HIS A 395
 ADN  A 502 (-2.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
ADN  A 502 ( 3.4A)
 0.61A 1d4fB-5v96A:
56.1		 1d4fB-5v96A:
57.26
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 4 THR A 145
THR A 144
THR A 154
HIS A 183
 None
 1.38A 1d4fB-5v9xA:
undetectable		 1d4fB-5v9xA:
12.20
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) 		4 THR A  57
THR A  60
GLU A 156
HIS A 353
 9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.5A)
 0.94A 1d4fB-5w4bA:
53.5		 1d4fB-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) 		4 THR A  57
THR A  60
GLU A 156
THR A 157
 9W4  A 502 (-2.9A)
None
None
None
 0.83A 1d4fB-5w4bA:
53.5		 1d4fB-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.
5y7r IRON/ALPHA-KETOGLUTA
RATE-DEPENDENT
DIOXYGENASE ASQJ

(Aspergillus
nidulans) 		no annotation 4 THR B 209
THR B 206
GLU B  28
HIS B  30
 None
 1.20A 1d4fB-5y7rB:
undetectable		 1d4fB-5y7rB:
10.99
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.
5z38 TRUNCATED-CSRA
WILD TYPE CSRA

(Escherichia
coli) 		no annotation 4 THR E  19
THR E  11
GLU F  46
HIS F  43
 None
 1.42A 1d4fB-5z38E:
undetectable		 1d4fB-5z38E:
12.62
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 232
GLU A  52
THR A 118
HIS A 223
 None
None
None
PO4  A 401 (-4.4A)
 1.16A 1d4fB-6amsA:
undetectable		 1d4fB-6amsA:
22.70
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) 		4 THR A  60
THR A  63
GLU A 161
HIS A 358
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.5A)
 0.85A 1d4fB-6aphA:
61.5		 1d4fB-6aphA:
66.52
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) 		4 THR A  60
THR A  63
THR A 162
HIS A 358
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.5A)
 0.35A 1d4fB-6aphA:
61.5		 1d4fB-6aphA:
66.52
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) 		4 THR A 162
THR A 163
THR A 233
HIS A 358
 NAD  A 500 ( 2.9A)
NAD  A 500 (-3.1A)
None
ADN  A 501 ( 3.5A)
 1.41A 1d4fB-6aphA:
61.5		 1d4fB-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.
6bo6 -

(-) 		no annotation 4 THR A  91
THR A 180
GLU A 310
THR A 341
 None
 1.43A 1d4fB-6bo6A:
undetectable		 1d4fB-6bo6A:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 THR L 100
THR L 101
THR L 262
HIS L 107
 None
 1.28A 1d4fB-6ehsL:
undetectable		 1d4fB-6ehsL:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 THR B  63
THR B  66
GLU B 164
THR B 165
HIS B 382
 ADN  B 502 (-2.8A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-3.4A)
 0.62A 1d4fB-6f3mB:
55.2		 1d4fB-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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 THR A1643
THR A1644
GLU A1002
THR A1004
 None
 1.33A 1d4fB-6fayA:
undetectable		 1d4fB-6fayA:
10.59
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.
6gbn -

(-) 		no annotation 5 THR A  58
THR A  61
GLU A 159
THR A 160
HIS A 356
 ADN  A 501 (-2.8A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-3.4A)
 0.59A 1d4fB-6gbnA:
61.7		 1d4fB-6gbnA:
undetectable