SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4F_D_ADND604_2

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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
FORMATE
DEHYDROGENASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF13247
(Fer4_11) 		4 THR B  12
GLU A 197
HIS A 199
HIS A 218
 SF4  B1011 (-4.3A)
None
MGD  A1002 ( 4.5A)
None
 1.37A 1d4fD-1h0hB:
undetectable		 1d4fD-1h0hB:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 145
THR A 169
HIS A 135
HIS A 266
 None
PAL  A 385 ( 4.2A)
PAL  A 385 (-3.9A)
None
 1.41A 1d4fD-1ml4A:
3.2		 1d4fD-1ml4A:
23.97
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		4 THR A 106
GLU A 145
THR A 148
HIS A 350
 None
PLP  A 400 ( 4.7A)
None
None
 1.02A 1d4fD-1n8pA:
undetectable		 1d4fD-1n8pA:
23.30
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 THR A 687
GLU A 702
THR A 701
HIS A 705
 None
 1.02A 1d4fD-1qafA:
undetectable		 1d4fD-1qafA:
23.01
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.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		4 GLU A 202
THR A 166
HIS A 180
HIS A  76
 CO  A1001 ( 2.5A)
None
None
M2C  A3001 ( 4.5A)
 1.50A 1d4fD-1qxyA:
undetectable		 1d4fD-1qxyA:
20.46
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		4 THR A 120
GLU A 125
THR A 100
HIS A  67
 None
 1.41A 1d4fD-1tf1A:
undetectable		 1d4fD-1tf1A:
19.58
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.
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
 1.28A 1d4fD-1wytB:
3.2		 1d4fD-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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLU A 336
THR A 337
HIS A 557
HIS A  84
 None
PEG  A9001 (-3.6A)
PEG  A9001 (-4.5A)
None
 1.45A 1d4fD-1yq2A:
2.2		 1d4fD-1yq2A:
17.90
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.
2cj3 PLASTOCYANIN

(Nostoc sp. PCC
7120) 		PF00127
(Copper-bind) 		4 THR A   2
GLU A  30
THR A  72
HIS A  61
 None
 1.36A 1d4fD-2cj3A:
undetectable		 1d4fD-2cj3A:
13.87
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 THR A 303
THR A 281
HIS A 283
HIS A 188
 None
 1.41A 1d4fD-2d7sA:
undetectable		 1d4fD-2d7sA:
21.03
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.
2gef PROTEASE VP4

(Blotched
snakehead virus) 		PF01768
(Birna_VP4) 		4 GLU A 749
THR A 751
HIS A 762
HIS A 734
 None
 1.41A 1d4fD-2gefA:
undetectable		 1d4fD-2gefA:
18.52
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 THR A 288
GLU A  35
THR A  38
HIS A  94
 None
None
None
MN  A5001 (-3.6A)
 1.42A 1d4fD-2glfA:
undetectable		 1d4fD-2glfA:
23.05
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.
2nsg HYPOTHETICAL PROTEIN
CGL3021

(Corynebacterium
glutamicum) 		PF11716
(MDMPI_N) 		4 THR A 137
THR A  73
HIS A  65
HIS A 122
 None
 1.36A 1d4fD-2nsgA:
undetectable		 1d4fD-2nsgA:
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.
2p0y HYPOTHETICAL PROTEIN
LP_0780

(Lactobacillus
plantarum) 		PF01933
(UPF0052) 		4 GLU A 235
THR A 236
HIS A 244
HIS A 251
 None
 1.49A 1d4fD-2p0yA:
4.9		 1d4fD-2p0yA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 THR A 107
GLU A  79
THR A  80
HIS A  58
 None
None
None
FE  A 252 (-3.2A)
 1.49A 1d4fD-2qedA:
undetectable		 1d4fD-2qedA:
20.55
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 GLU A 256
THR A 258
HIS A 261
HIS A  57
 None
None
None
ZN  A1004 (-3.4A)
 1.36A 1d4fD-2z00A:
undetectable		 1d4fD-2z00A:
22.55
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.
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
 1.30A 1d4fD-2zu6B:
undetectable		 1d4fD-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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A 160
GLU A 163
HIS A 203
HIS A 155
 None
 1.38A 1d4fD-3axxA:
undetectable		 1d4fD-3axxA:
22.24
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  74
GLU A 218
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.78A 1d4fD-3ce6A:
54.7		 1d4fD-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  57
GLU A 155
THR A 156
HIS A 300
HIS A 352
 ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 3.6A)
 0.67A 1d4fD-3g1uA:
59.6		 1d4fD-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  67
GLU A 199
THR A 200
HIS A 344
HIS A 394
 RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 3.6A)
 0.64A 1d4fD-3glqA:
56.9		 1d4fD-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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 GLU A 253
THR A 255
HIS A 258
HIS A  60
 None
None
None
ZN  A 500 (-3.7A)
 1.40A 1d4fD-3griA:
undetectable		 1d4fD-3griA:
22.55
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  57
GLU A 155
THR A 156
HIS A 300
HIS A 352
 ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
None
ADN  A 439 ( 3.3A)
 0.66A 1d4fD-3h9uA:
61.5		 1d4fD-3h9uA:
71.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 THR A 453
GLU A 202
THR A 160
HIS A 140
 None
None
None
ZN  A 495 ( 3.1A)
 1.46A 1d4fD-3iuuA:
3.6		 1d4fD-3iuuA:
22.67
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  60
GLU A 192
THR A 193
HIS A 337
HIS A 387
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.58A 1d4fD-3n58A:
56.7		 1d4fD-3n58A:
58.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 THR A 438
GLU A 383
THR A 384
HIS A 338
 None
 1.36A 1d4fD-3na0A:
undetectable		 1d4fD-3na0A:
20.19
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  67
GLU A 205
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.58A 1d4fD-3oneA:
53.7		 1d4fD-3oneA:
57.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubu AGGLUCETIN SUBUNIT
ALPHA-1
AGGLUCETIN SUBUNIT
BETA-2

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		4 GLU A  82
THR A  84
HIS B  40
HIS B  45
 None
None
None
GOL  B 128 (-4.0A)
 1.38A 1d4fD-3ubuA:
undetectable		 1d4fD-3ubuA:
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A 160
GLU A 163
HIS A 203
HIS A 155
 None
 1.34A 1d4fD-3w6mA:
undetectable		 1d4fD-3w6mA:
20.13
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 GLU A 270
THR A 272
HIS A 275
HIS A  68
 None
 1.31A 1d4fD-4b90A:
undetectable		 1d4fD-4b90A:
22.26
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 GLU A 270
THR A 272
HIS A 275
HIS A  68
 None
 1.32A 1d4fD-4b92A:
undetectable		 1d4fD-4b92A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 1d4fD-4dx8H:
undetectable		 1d4fD-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.
4hr3 PUTATIVE ACYL-COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 THR A 102
THR A 178
HIS A 234
HIS A 271
 None
FAD  A 501 (-3.9A)
FAD  A 501 (-4.2A)
None
 1.45A 1d4fD-4hr3A:
undetectable		 1d4fD-4hr3A:
22.80
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 151
THR A 175
HIS A 141
HIS A 287
 None
None
UNX  A 402 ( 4.2A)
None
 1.37A 1d4fD-4iv5A:
4.5		 1d4fD-4iv5A:
21.89
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.
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
 1.30A 1d4fD-4lglA:
4.1		 1d4fD-4lglA:
19.36
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  63
GLU A 197
THR A 198
HIS A 342
HIS A 392
 ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.5A)
 0.60A 1d4fD-4lvcA:
56.5		 1d4fD-4lvcA:
58.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 THR A 271
GLU A 204
HIS A 292
HIS A 298
 None
RUB  A 501 (-3.2A)
None
RUB  A 501 ( 4.9A)
 1.47A 1d4fD-4mkvA:
undetectable		 1d4fD-4mkvA:
20.52
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.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		4 THR A 174
GLU A 103
THR A 114
HIS A 205
 None
 1.46A 1d4fD-4nx8A:
undetectable		 1d4fD-4nx8A:
19.78
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.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 THR A 194
THR A 224
HIS A 249
HIS A 200
 None
 1.34A 1d4fD-4q3lA:
5.0		 1d4fD-4q3lA:
23.39
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		4 THR A 247
GLU A 291
THR A 293
HIS A 272
 None
 1.43A 1d4fD-4rmlA:
undetectable		 1d4fD-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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 4 THR E 230
THR E 142
HIS E 114
HIS E 180
 None
 1.35A 1d4fD-4whbE:
undetectable		 1d4fD-4whbE:
21.98
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 THR A 249
GLU A 244
THR A 245
HIS A  83
 None
 1.50A 1d4fD-4wz9A:
undetectable		 1d4fD-4wz9A:
20.08
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.
4xd9 RIBOSOME BIOGENESIS
PROTEIN, PUTATIVE
(AFU_ORTHOLOGUE
AFUA_8G04790)

(Aspergillus
nidulans) 		PF04427
(Brix) 		4 THR A 197
GLU A 195
HIS A 205
HIS A 161
 None
 1.19A 1d4fD-4xd9A:
undetectable		 1d4fD-4xd9A:
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.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 THR A 211
THR A 259
HIS A 295
HIS A 204
 NAD  A 401 (-4.5A)
None
NAD  A 401 (-3.7A)
None
 1.46A 1d4fD-4xkjA:
4.4		 1d4fD-4xkjA:
23.06
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.
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
 1.46A 1d4fD-4xy3A:
undetectable		 1d4fD-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.
5by8 RPF2

(Aspergillus
nidulans) 		PF04427
(Brix) 		4 THR A 197
GLU A 195
HIS A 205
HIS A 161
 None
 1.29A 1d4fD-5by8A:
undetectable		 1d4fD-5by8A:
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.
5cmn LATROPHILIN-3

(Homo sapiens) 		PF02191
(OLF) 		4 THR E 179
GLU E 223
THR E 225
HIS E 204
 None
 1.48A 1d4fD-5cmnE:
undetectable		 1d4fD-5cmnE:
17.67
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		4 THR A 135
GLU A 124
THR A 125
HIS A 210
 None
None
None
FE  A 300 ( 3.3A)
 1.39A 1d4fD-5epaA:
undetectable		 1d4fD-5epaA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8d COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLU A 187
THR A 191
HIS A 193
HIS A 256
 None
 1.27A 1d4fD-5k8dA:
undetectable		 1d4fD-5k8dA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 THR A  89
GLU A 339
THR A 340
HIS A 415
 None
 1.28A 1d4fD-5ngkA:
undetectable		 1d4fD-5ngkA:
21.23
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) 		4 THR A  58
GLU A 211
THR A 212
HIS A 410
 SAH  A 502 (-4.2A)
SAH  A 502 (-3.8A)
NAD  A 501 ( 4.1A)
SAH  A 502 ( 3.5A)
 0.78A 1d4fD-5utuA:
51.5		 1d4fD-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A  64
GLU A 197
THR A 198
HIS A 395
 ADN  A 502 (-4.4A)
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
ADN  A 502 ( 3.4A)
 0.65A 1d4fD-5v96A:
55.8		 1d4fD-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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 GLU A  43
THR A  44
HIS A  45
HIS A  38
 None
 1.42A 1d4fD-5wt4A:
2.3		 1d4fD-5wt4A:
11.99
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.
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)
 1.22A 1d4fD-6amsA:
undetectable		 1d4fD-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) 		5 THR A  63
GLU A 161
THR A 162
HIS A 306
HIS A 358
 ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 3.5A)
 0.83A 1d4fD-6aphA:
61.5		 1d4fD-6aphA:
66.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 THR B  66
GLU B 164
THR B 165
HIS B 323
HIS B 382
 ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 (-3.4A)
 0.60A 1d4fD-6f3mB:
55.2		 1d4fD-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 THR A  61
GLU A 159
THR A 160
HIS A 304
HIS A 356
 ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
ADN  A 501 (-3.4A)
 0.61A 1d4fD-6gbnA:
61.6		 1d4fD-6gbnA:
undetectable