SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4F_C_ADNC603_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.
1eep INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00478
(IMPDH) 		5 THR A  54
ASP A 172
ASP A 262
GLY A 285
MET A 283
 None
None
None
SO4  A 600 (-3.4A)
None
 1.36A 1d4fC-1eepA:
undetectable		 1d4fC-1eepA:
23.72
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 501 (-3.0A)
ZN  A 501 (-2.4A)
None
None
CU  A 502 (-3.2A)
 1.33A 1d4fC-1eqwA:
undetectable		 1d4fC-1eqwA:
17.52
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 149 ( 3.0A)
ZN  A 149 ( 2.4A)
None
None
CU  A 150 ( 3.3A)
 1.38A 1d4fC-1esoA:
undetectable		 1d4fC-1esoA:
17.18
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.
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
 1.27A 1d4fC-1g7rA:
3.3		 1d4fC-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.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 THR A  74
ASP A 274
ASP A 364
GLY A 387
MET A 385
 None
None
CPR  A 631 (-2.6A)
CPR  A 631 (-3.7A)
CPR  A 631 (-3.4A)
 1.31A 1d4fC-1jcnA:
undetectable		 1d4fC-1jcnA:
22.22
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 THR A 235
GLU A 175
ASP A 112
LEU A 258
HIS A 152
 None
None
None
None
ZN  A 401 (-3.3A)
 1.38A 1d4fC-1p9eA:
undetectable		 1d4fC-1p9eA:
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 LEU A 122
THR A 159
ASP A 120
LEU A 146
HIS A 153
 None
 1.48A 1d4fC-1si1A:
undetectable		 1d4fC-1si1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.46A 1d4fC-1usvA:
undetectable		 1d4fC-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 ASP A 134
LYS A 230
ASP A 234
LEU A 392
HIS A 398
 ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.5A)
 1.33A 1d4fC-1v8bA:
54.1		 1d4fC-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
GLY A 397
HIS A 398
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 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.31A 1d4fC-1v8bA:
54.1		 1d4fC-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.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 THR A  49
ASP A 244
ASP A 334
GLY A 357
MET A 355
 None
 1.30A 1d4fC-1vrdA:
undetectable		 1d4fC-1vrdA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 HIS A 460
THR A 511
ASP A 577
GLY A 528
PHE A 472
 None
 1.33A 1d4fC-1xpgA:
undetectable		 1d4fC-1xpgA:
19.84
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.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 HIS A 113
GLU A  73
ASP A 116
GLY A  94
HIS A  72
 ZN  A 201 (-3.1A)
None
ZN  A 201 (-2.1A)
None
CU  A 200 (-3.2A)
 1.29A 1d4fC-1z9nA:
undetectable		 1d4fC-1z9nA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9p SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		5 HIS A 113
GLU A  73
ASP A 116
GLY A  94
HIS A  72
 ZN  A 201 (-3.1A)
None
ZN  A 201 (-2.2A)
None
CU  A 200 (-3.2A)
 1.27A 1d4fC-1z9pA:
undetectable		 1d4fC-1z9pA:
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 LEU A  77
GLU A  17
GLY A  50
HIS A 167
PHE A 180
 None
 1.14A 1d4fC-2a9vA:
3.8		 1d4fC-2a9vA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 HIS A 103
ASP A 106
LEU A 154
GLY A  84
HIS A  62
 ZN  A 400 ( 3.2A)
ZN  A 400 (-2.2A)
None
None
CU  A 402 ( 3.4A)
 1.37A 1d4fC-2apsA:
undetectable		 1d4fC-2apsA:
17.73
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.
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
 1.39A 1d4fC-2gv9A:
undetectable		 1d4fC-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.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF09630
(DUF2024) 		5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
 None
 1.31A 1d4fC-2hfqA:
undetectable		 1d4fC-2hfqA:
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.
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
 1.23A 1d4fC-2i1sA:
undetectable		 1d4fC-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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 LEU A 400
GLY A 335
HIS A 252
MET A 339
PHE A 345
 None
 1.43A 1d4fC-2tohA:
undetectable		 1d4fC-2tohA:
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.
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
 1.26A 1d4fC-2vzbA:
undetectable		 1d4fC-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.
2wwo SUPEROXIDE DISMUTASE
[CU-ZN]

(Yersinia
pseudotuberculosis) 		PF00080
(Sod_Cu) 		5 HIS A  97
ASP A 100
LEU A 148
GLY A  78
HIS A  56
 ZN  A1162 (-3.2A)
ZN  A1162 (-2.3A)
None
None
ZN  A1165 (-3.4A)
 1.41A 1d4fC-2wwoA:
undetectable		 1d4fC-2wwoA:
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.
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 1d4fC-2yocA:
undetectable		 1d4fC-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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.38A 1d4fC-3b1rA:
5.1		 1d4fC-3b1rA:
22.30
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 ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.45A 1d4fC-3ce6A:
54.8		 1d4fC-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
GLY A 415
HIS A 416
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 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 1d4fC-3ce6A:
54.8		 1d4fC-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.
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
 1.11A 1d4fC-3dobA:
undetectable		 1d4fC-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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 HIS A 532
THR A 275
LYS A 337
ASP A 537
GLY A 535
 None
 1.43A 1d4fC-3eb7A:
undetectable		 1d4fC-3eb7A:
21.70
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.
3f7l COPPER,ZINC
SUPEROXIDE DISMUTASE

(Alvinella
pompejana) 		PF00080
(Sod_Cu) 		5 HIS A  78
GLU A  47
ASP A  81
GLY A  60
HIS A  46
 ZN  A 203 (-3.1A)
SO4  A 209 (-3.4A)
ZN  A 203 (-2.2A)
None
CU1  A 201 ( 3.1A)
 1.28A 1d4fC-3f7lA:
undetectable		 1d4fC-3f7lA:
14.92
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
GLY A 351
HIS A 352
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 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.68A 1d4fC-3g1uA:
59.7		 1d4fC-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)
 1.41A 1d4fC-3glqA:
57.0		 1d4fC-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) 		5 HIS A  62
THR A  67
ASP A 139
ASP A 233
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 (-3.6A)
 1.34A 1d4fC-3glqA:
57.0		 1d4fC-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
GLY A 393
HIS A 394
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 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.48A 1d4fC-3glqA:
57.0		 1d4fC-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.
3h1l CYTOCHROME B

(Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 LEU C  42
LEU C 198
GLY C  35
HIS C  98
PHE C  91
 None
3H1  C2002 ( 4.0A)
HEM  C 502 (-3.2A)
HEM  C 502 (-3.2A)
None
 1.41A 1d4fC-3h1lC:
undetectable		 1d4fC-3h1lC:
20.70
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 LEU A 198
HIS A 196
ASP A   9
GLY A 194
HIS A 224
 None
 1.23A 1d4fC-3h3eA:
undetectable		 1d4fC-3h3eA:
20.45
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)
 1.42A 1d4fC-3h9uA:
61.4		 1d4fC-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
GLY A 351
HIS A 352
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 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.40A 1d4fC-3h9uA:
61.4		 1d4fC-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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 HIS A 249
THR A 252
LEU A 303
HIS A 217
PHE A 270
 HPX  A 406 (-3.4A)
HPX  A 406 ( 3.8A)
None
FE  A 400 ( 3.4A)
None
 1.46A 1d4fC-3lm4A:
undetectable		 1d4fC-3lm4A:
21.00
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.
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
 1.33A 1d4fC-3msuA:
undetectable		 1d4fC-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)
 1.41A 1d4fC-3n58A:
56.9		 1d4fC-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
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
GLY A 386
HIS A 387
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 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.48A 1d4fC-3n58A:
56.9		 1d4fC-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
 1.08A 1d4fC-3n77A:
undetectable		 1d4fC-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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 LEU A 168
LEU A 155
GLY A  71
HIS A 142
PHE A 132
 None
 1.41A 1d4fC-3oc6A:
undetectable		 1d4fC-3oc6A:
22.25
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 398
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.41A 1d4fC-3oneA:
53.6		 1d4fC-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
GLY A 403
HIS A 404
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 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.43A 1d4fC-3oneA:
53.6		 1d4fC-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) 		5 LEU A  61
ASP A 139
LYS A 235
ASP A 239
LEU A 398
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.15A 1d4fC-3oneA:
53.6		 1d4fC-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
GLY A 403
HIS A 404
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 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.65A 1d4fC-3oneA:
53.6		 1d4fC-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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
 None
 0.96A 1d4fC-3pf7A:
undetectable		 1d4fC-3pf7A:
22.63
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 THR A 171
ASP A  55
ASP A   5
GLY A 173
HIS A 198
 None
GOL  A 496 (-3.1A)
GOL  A 496 (-2.9A)
None
None
 1.40A 1d4fC-3rreA:
4.2		 1d4fC-3rreA:
23.64
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.
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
 1.37A 1d4fC-3sgiA:
undetectable		 1d4fC-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.
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
 1.45A 1d4fC-4bocA:
undetectable		 1d4fC-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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		5 LEU A  79
HIS A  75
THR A  76
GLY A  73
PHE A  48
 None
PO4  A1007 (-4.1A)
None
None
None
 1.18A 1d4fC-4bucA:
4.6		 1d4fC-4bucA:
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.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD) 		5 LEU B 305
ASP B  31
GLY B 287
HIS B 288
PHE B  36
 None
 1.36A 1d4fC-4c1nB:
undetectable		 1d4fC-4c1nB:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 1d4fC-4cw4A:
undetectable		 1d4fC-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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 LEU A  90
HIS A  69
ASP A 229
LEU A  67
GLY A  71
 None
 1.32A 1d4fC-4e6yA:
undetectable		 1d4fC-4e6yA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		5 LEU A  89
HIS A  68
ASP A 228
LEU A  66
GLY A  70
 None
 1.36A 1d4fC-4g6bA:
undetectable		 1d4fC-4g6bA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 HIS A 118
ASP A  85
LEU A 184
GLY A 392
PHE A 283
 PO4  A 604 (-3.8A)
ZN  A 602 (-2.8A)
None
None
None
 1.24A 1d4fC-4h1sA:
undetectable		 1d4fC-4h1sA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 281
LEU A 528
GLY A 105
HIS A 108
PHE A 113
 None
 1.39A 1d4fC-4iv9A:
3.6		 1d4fC-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
 1.45A 1d4fC-4iv9A:
3.6		 1d4fC-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.
4k82 LV-RANASPUMIN
(LV-RSN-1)

(Leptodactylus
vastus) 		no annotation 5 LEU A  58
THR A  61
GLU A  32
LEU A 130
GLY A 132
 None
 1.37A 1d4fC-4k82A:
undetectable		 1d4fC-4k82A:
21.40
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)
 1.33A 1d4fC-4lvcA:
56.5		 1d4fC-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
THR A  60
ASP A 135
LYS A 227
ASP A 231
LEU A 383
GLY A 391
HIS A 392
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 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.28A 1d4fC-4lvcA:
56.5		 1d4fC-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.
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
 1.38A 1d4fC-4qiwB:
undetectable		 1d4fC-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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 LEU A 209
HIS A 172
ASP A 121
GLY A 194
HIS A 122
 None
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
None
FE  A1243 (-3.5A)
 1.38A 1d4fC-4v0hA:
undetectable		 1d4fC-4v0hA:
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 525
HIS A 528
LEU A 597
GLY A 531
PHE A 625
 None
 1.40A 1d4fC-5clwA:
undetectable		 1d4fC-5clwA:
20.09
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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.31A 1d4fC-5h0rG:
undetectable		 1d4fC-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 1d4fC-5ht0A:
undetectable		 1d4fC-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.
5nmi CYTOCHROME B

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 LEU C  41
LEU C 197
GLY C  34
HIS C  97
PHE C  90
 None
MJM  C 503 ( 4.6A)
HEM  C 502 (-3.2A)
HEM  C 502 (-3.1A)
HEM  C 501 (-4.6A)
 1.47A 1d4fC-5nmiC:
undetectable		 1d4fC-5nmiC:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 LEU A  95
HIS A  92
ASP A 146
GLY A  51
HIS A 186
 None
PO4  A 404 (-3.7A)
PO4  A 404 ( 4.6A)
None
FE  A 403 ( 3.4A)
 1.36A 1d4fC-5uq6A:
undetectable		 1d4fC-5uq6A:
21.95
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
GLY A 409
HIS A 410
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 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.33A 1d4fC-5utuA:
38.1		 1d4fC-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
GLY A 394
HIS A 395
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 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.32A 1d4fC-5v96A:
29.1		 1d4fC-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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 718
THR A 708
GLU A 709
GLY A 711
HIS A 710
 None
 1.35A 1d4fC-5vniA:
undetectable		 1d4fC-5vniA:
19.13
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 GLU A  59
LYS A 186
HIS A 353
MET A 358
PHE A 362
 9W4  A 502 (-3.8A)
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.66A 1d4fC-5w4bA:
53.5		 1d4fC-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
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
 0.68A 1d4fC-5w4bA:
53.5		 1d4fC-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
 0.46A 1d4fC-5w4bA:
53.5		 1d4fC-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
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.96A 1d4fC-5w4bA:
53.5		 1d4fC-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
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.95A 1d4fC-5w4bA:
53.5		 1d4fC-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 347
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.37A 1d4fC-5w4bA:
53.5		 1d4fC-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.
5x06 DNAA REGULATORY
INACTIVATOR HDA

(Escherichia
coli) 		no annotation 5 LEU E  31
LEU E 165
GLY E  55
HIS E  58
PHE E  19
 None
ADP  E1001 (-4.2A)
ADP  E1001 (-3.7A)
ADP  E1001 (-4.3A)
None
 1.36A 1d4fC-5x06E:
undetectable		 1d4fC-5x06E:
11.23
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 5 THR A 380
GLU A 382
LEU A 447
GLY A 441
MET A  62
 None
 1.33A 1d4fC-5x8oA:
undetectable		 1d4fC-5x8oA:
10.75
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
 None
 1.31A 1d4fC-5xgsA:
undetectable		 1d4fC-5xgsA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yq7 PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii) 		no annotation 5 LEU M 607
HIS M 487
LEU M 491
HIS M 515
PHE M 519
 BCL  M 702 (-4.5A)
None
None
None
BCL  M 702 ( 4.4A)
 1.35A 1d4fC-5yq7M:
undetectable		 1d4fC-5yq7M:
12.63
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 LEU A 235
HIS A 238
ASP A 174
LEU A 268
HIS A 197
 None
 1.47A 1d4fC-5z73A:
undetectable		 1d4fC-5z73A:
12.34
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
GLY A 357
HIS A 358
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 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.51A 1d4fC-6aphA:
61.4		 1d4fC-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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 LEU A 247
ASP A 405
GLY A 311
HIS A 310
PHE A 305
 None
 1.44A 1d4fC-6ceyA:
undetectable		 1d4fC-6ceyA:
13.22
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.
6d34 TERC

(Streptomyces) 		no annotation 5 LEU A 120
ASP A 173
GLY A 100
HIS A  90
PHE A 180
 None
IPA  A 202 ( 3.6A)
None
IPA  A 201 (-3.5A)
IPA  A 201 ( 3.5A)
 1.48A 1d4fC-6d34A:
undetectable		 1d4fC-6d34A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d34 TERC

(Streptomyces) 		no annotation 5 LEU A 120
ASP A 173
LEU A 113
HIS A  90
PHE A 180
 None
IPA  A 202 ( 3.6A)
None
IPA  A 201 (-3.5A)
IPA  A 201 ( 3.5A)
 1.31A 1d4fC-6d34A:
undetectable		 1d4fC-6d34A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.39A 1d4fC-6f3mB:
55.2		 1d4fC-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 10 HIS B  61
THR B  63
ASP B 139
LYS B 194
ASP B 198
LEU B 373
GLY B 381
HIS B 382
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 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.38A 1d4fC-6f3mB:
55.2		 1d4fC-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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A1083
ASP A 922
ASP A1351
GLY A1093
HIS A1354
 None
 1.20A 1d4fC-6f42A:
undetectable		 1d4fC-6f42A:
12.91
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.
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)
 1.41A 1d4fC-6gbnA:
61.5		 1d4fC-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
GLY A 355
HIS A 356
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 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.33A 1d4fC-6gbnA:
61.5		 1d4fC-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.
6gy5 -

(-) 		no annotation 5 LEU A 379
HIS A 373
THR A 404
ASP A 374
GLY A 423
 NA  A 722 ( 4.4A)
None
None
NA  A 721 ( 4.8A)
None
 1.42A 1d4fC-6gy5A:
undetectable		 1d4fC-6gy5A:
undetectable