SIMILAR PATTERNS OF AMINO ACIDS FOR 1XMU_A_ROFA101

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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		5 LEU A  83
TRP A 239
ILE A  78
SER A 150
PHE A 152
 None
 1.34A 1xmuA-1ehkA:
undetectable		 1xmuA-1ehkA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 ASP A  51
LEU A 188
PRO A 179
ILE A 194
PHE A  70
 None
 1.49A 1xmuA-1kgpA:
undetectable		 1xmuA-1kgpA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 TYR B 118
LEU B 111
ILE B  84
SER B  70
PHE B  71
 None
 1.38A 1xmuA-1mioB:
undetectable		 1xmuA-1mioB:
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.
1pii N-(5'PHOSPHORIBOSYL)
ANTHRANILATE
ISOMERASE

(Escherichia
coli) 		PF00218
(IGPS)
PF00697
(PRAI) 		5 TYR A  92
LEU A 191
ILE A   8
PHE A 116
SER A 139
 None
 1.47A 1xmuA-1piiA:
undetectable		 1xmuA-1piiA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rep PROTEIN (REPLICATION
INITIATION PROTEIN)

(Escherichia
coli) 		PF01051
(Rep_3) 		5 TYR C 192
LEU C 169
ILE C 188
PHE C 208
PHE C 240
 None
 1.35A 1xmuA-1repC:
undetectable		 1xmuA-1repC:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 737
ASP A 937
PRO A 941
SER A 990
PHE A 991
 IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-3.6A)
 1.24A 1xmuA-1sojA:
41.8		 1xmuA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
ILE A 955
PHE A 959
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.6A)
 0.57A 1xmuA-1sojA:
41.8		 1xmuA-1sojA:
30.21
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.
1viw ALPHA-AMYLASE-INHIBI
TOR

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 ASP B  83
LEU B  82
ILE B 137
SER B 199
PHE B  66
 None
None
None
NAG  B 509 (-2.4A)
None
 1.42A 1xmuA-1viwB:
undetectable		 1xmuA-1viwB:
19.95
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.
1zi7 KES1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		5 LEU A  83
TRP A  88
ILE A  90
PHE A 246
PHE A 289
 None
 1.11A 1xmuA-1zi7A:
undetectable		 1xmuA-1zi7A:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 211
HIS A 212
ASP A 362
PRO A 366
TRP A 376
PHE A 384
PHE A 416
 IBM  A 503 (-4.6A)
None
ZN  A 501 (-2.5A)
None
None
IBM  A 503 (-4.5A)
IBM  A 503 (-3.4A)
 0.34A 1xmuA-1zklA:
45.2		 1xmuA-1zklA:
34.00
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A 239
ASP A 324
LEU A  60
ILE A 183
SER A 147
 CO  A1000 (-3.4A)
None
None
None
None
 1.28A 1xmuA-2amxA:
undetectable		 1xmuA-2amxA:
26.39
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.
2cb4 MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		no annotation 5 ASP A 237
TYR A 213
ILE A 225
PHE A 248
SER A 245
 None
 1.29A 1xmuA-2cb4A:
undetectable		 1xmuA-2cb4A:
18.55
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 206
PRO A 202
ILE A 238
PHE A 242
MET A 244
 None
 1.32A 1xmuA-2qgyA:
undetectable		 1xmuA-2qgyA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		11 TYR A 371
HIS A 372
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
ILE A 548
MET A 569
SER A 580
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 (-3.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
 0.49A 1xmuA-2qykA:
52.9		 1xmuA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		11 TYR A 371
HIS A 372
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
ILE A 548
PHE A 552
SER A 580
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
 0.38A 1xmuA-2qykA:
52.9		 1xmuA-2qykA:
87.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		9 TYR A 281
HIS A 282
ASP A 440
LEU A 441
PRO A 444
TYR A 451
TRP A 454
ILE A 458
PHE A 494
 None
None
ZN  A   1 (-2.5A)
None
None
None
None
None
None
 0.59A 1xmuA-2qymA:
44.0		 1xmuA-2qymA:
75.78
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		6 TYR A 680
HIS A 681
ASP A 835
TRP A 849
PHE A 857
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
ZN  A   1 (-2.6A)
None
IBM  A   3 (-4.9A)
IBM  A   3 (-3.6A)
 0.37A 1xmuA-2r8qA:
39.8		 1xmuA-2r8qA:
29.76
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.
2yn1 LGPCA THIOREDOXIN

(synthetic
construct) 		PF00085
(Thioredoxin) 		5 ASP A  25
LEU A  77
TYR A  48
ILE A  40
SER A  96
 None
 1.38A 1xmuA-2yn1A:
undetectable		 1xmuA-2yn1A:
15.47
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 786
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
None
VDN  A   1 (-3.6A)
 0.77A 1xmuA-3b2rA:
31.0		 1xmuA-3b2rA:
28.16
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 786
PHE A 820
 None
MG  A 877 (-4.4A)
ZN  A 876 (-2.5A)
WAN  A 901 ( 4.7A)
WAN  A 901 (-4.8A)
WAN  A 901 (-3.7A)
 0.68A 1xmuA-3bjcA:
33.7		 1xmuA-3bjcA:
17.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 555
HIS A 556
ASP A 726
PRO A 730
TRP A 740
ILE A 744
SER A 777
PHE A 781
 None
None
ZN  A   1 (-2.6A)
None
None
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.5A)
 0.37A 1xmuA-3ecnA:
44.6		 1xmuA-3ecnA:
34.16
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.
3fs3 NUCLEOSOME ASSEMBLY
PROTEIN 1, PUTATIVE

(Plasmodium
falciparum) 		PF00956
(NAP) 		5 ASP A 121
LEU A 125
ILE A 188
SER A 161
PHE A 152
 None
 1.34A 1xmuA-3fs3A:
undetectable		 1xmuA-3fs3A:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		9 TYR A 325
HIS A 326
ASP A 484
LEU A 485
ILE A 502
PHE A 506
MET A 523
SER A 534
PHE A 538
 None
D71  A 901 (-4.5A)
ZN  A 801 (-2.6A)
None
D71  A 901 (-4.1A)
D71  A 901 (-4.8A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.4A)
D71  A 901 (-3.9A)
 0.97A 1xmuA-3g4gA:
51.2		 1xmuA-3g4gA:
66.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		11 TYR A 325
HIS A 326
ASP A 484
LEU A 485
PRO A 488
TYR A 495
TRP A 498
ILE A 502
PHE A 506
MET A 523
PHE A 538
 None
D71  A 901 (-4.5A)
ZN  A 801 (-2.6A)
None
None
None
None
D71  A 901 (-4.1A)
D71  A 901 (-4.8A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.9A)
 0.71A 1xmuA-3g4gA:
51.2		 1xmuA-3g4gA:
66.45
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.
3gs9 PROTEIN GP18

(Listeria
monocytogenes) 		PF06605
(Prophage_tail) 		5 ASP A 154
LEU A 157
ILE A 117
PHE A 118
PHE A 173
 None
 1.18A 1xmuA-3gs9A:
undetectable		 1xmuA-3gs9A:
20.86
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.
3gyw NUCLEOSOME ASSEMBLY
PROTEIN 1, PUTATIVE

(Plasmodium
falciparum) 		PF00956
(NAP) 		5 ASP A 121
LEU A 125
ILE A 188
SER A 161
PHE A 152
 None
 1.28A 1xmuA-3gywA:
undetectable		 1xmuA-3gywA:
19.50
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 HIS A 483
LEU A 490
PRO A 459
ILE A 452
SER A 462
 None
 1.48A 1xmuA-3hjrA:
undetectable		 1xmuA-3hjrA:
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.
3hym ANAPHASE-PROMOTING
COMPLEX SUBUNIT
CDC26
CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG

(Homo sapiens;
Homo sapiens) 		PF10471
(ANAPC_CDC26)
PF13424
(TPR_12) 		5 LEU A   2
PRO B 335
TRP B 337
SER B 301
PHE B 303
 None
 1.44A 1xmuA-3hymA:
undetectable		 1xmuA-3hymA:
6.63
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		6 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
PHE A 862
 None
None
ZN  A   1 (-2.7A)
None
None
None
 0.95A 1xmuA-3ibjA:
32.6		 1xmuA-3ibjA:
19.40
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 5 TYR C 334
LEU C 384
TYR C 392
ILE C 333
SER C 356
 None
 1.35A 1xmuA-3j9uC:
undetectable		 1xmuA-3j9uC:
21.26
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.
3mgb TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 TYR A 283
ASP A  94
TYR A  87
PHE A 274
SER A 141
 None
 1.27A 1xmuA-3mgbA:
undetectable		 1xmuA-3mgbA:
25.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		12 TYR A 233
HIS A 234
ASP A 392
LEU A 393
PRO A 396
TYR A 403
TRP A 406
ILE A 410
PHE A 414
MET A 431
SER A 442
PHE A 446
 None
None
ZN  A   1 (-2.6A)
None
ZG2  A 506 ( 4.5A)
None
None
ZG2  A 506 (-4.4A)
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.4A)
None
ZG2  A 506 (-3.6A)
 0.55A 1xmuA-3o57A:
54.3		 1xmuA-3o57A:
93.83
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.
3r2g INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Legionella
pneumophila) 		PF00478
(IMPDH) 		5 ASP A  34
LEU A  39
ILE A 144
SER A  94
PHE A  92
 None
 1.33A 1xmuA-3r2gA:
undetectable		 1xmuA-3r2gA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.61A 1xmuA-3sl5A:
51.4		 1xmuA-3sl5A:
84.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqd 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Coxiella
burnetii) 		PF02348
(CTP_transf_3) 		5 ASP A 115
LEU A 112
TYR A 189
ILE A 223
PHE A 156
 None
 1.37A 1xmuA-3tqdA:
undetectable		 1xmuA-3tqdA:
20.99
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 524
HIS A 525
ASP A 674
LEU A 675
ILE A 692
PHE A 696
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
ZN  A 772 (-2.4A)
C1L  A   1 (-4.3A)
C1L  A   1 (-4.3A)
C1L  A   1 ( 4.7A)
C1L  A   1 (-3.5A)
 0.83A 1xmuA-3ui7A:
38.1		 1xmuA-3ui7A:
27.10
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 524
HIS A 525
LEU A 635
ILE A 692
PHE A 696
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 (-4.3A)
C1L  A   1 ( 4.7A)
C1L  A   1 (-3.5A)
 1.49A 1xmuA-3ui7A:
38.1		 1xmuA-3ui7A:
27.10
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		7 TYR A 367
HIS A 368
ASP A 521
TRP A 535
ILE A 538
PHE A 542
PHE A 573
 WYQ  A 701 (-4.5A)
None
ZN  A 702 (-1.9A)
None
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-4.7A)
WYQ  A 701 (-3.4A)
 0.77A 1xmuA-3v94A:
39.9		 1xmuA-3v94A:
27.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		5 TYR A 367
TRP A 535
PHE A 542
SER A 569
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 (-4.7A)
None
WYQ  A 701 (-3.4A)
 0.94A 1xmuA-3v94A:
39.9		 1xmuA-3v94A:
27.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASP A 459
LEU A 460
ILE A 251
SER A 240
PHE A 471
 None
 1.32A 1xmuA-3vf1A:
undetectable		 1xmuA-3vf1A:
20.06
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.
4dh2 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 HIS A  44
ASP A 145
LEU A 146
ILE A 149
SER A 139
 None
 1.39A 1xmuA-4dh2A:
undetectable		 1xmuA-4dh2A:
17.96
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ASP A 284
LEU A 321
ILE A 155
PHE A 124
SER A 133
 None
 1.29A 1xmuA-4dy0A:
undetectable		 1xmuA-4dy0A:
24.44
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
PHE A 830
PHE A 862
 None
None
ZN  A1001 (-2.5A)
None
None
None
None
 0.64A 1xmuA-4htzA:
38.7		 1xmuA-4htzA:
27.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		6 TYR A 668
HIS A 669
ASP A 822
TRP A 836
PHE A 844
PHE A 877
 None
None
ZN  A1001 (-2.5A)
None
None
None
 0.49A 1xmuA-4i15A:
39.0		 1xmuA-4i15A:
31.92
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.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Synechococcus
sp. PCC 7002) 		PF00171
(Aldedh) 		5 ASP A 372
LEU A 373
ILE A 269
SER A 390
PHE A 402
 EDO  A 510 (-2.9A)
None
None
None
None
 1.29A 1xmuA-4itaA:
undetectable		 1xmuA-4itaA:
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A  24
LEU A  37
TYR A  11
ILE A 414
SER A  62
 None
 1.17A 1xmuA-4um8A:
undetectable		 1xmuA-4um8A:
19.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		11 TYR A 405
HIS A 406
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
PHE A 586
SER A 614
PHE A 618
 None
MG  A 804 ( 4.9A)
ZN  A 801 (-2.5A)
None
None
None
None
None
None
None
None
 0.53A 1xmuA-4wziA:
52.5		 1xmuA-4wziA:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		10 TYR A 405
HIS A 406
ASP A 564
PRO A 568
TYR A 575
TRP A 578
ILE A 582
PHE A 586
MET A 603
SER A 614
 None
MG  A 804 ( 4.9A)
ZN  A 801 (-2.5A)
None
None
None
None
None
None
None
 1.00A 1xmuA-4wziA:
52.5		 1xmuA-4wziA:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 222
HIS A 223
ASP A 370
PRO A 374
TRP A 384
PHE A 392
SER A 420
PHE A 424
 None
4QJ  A 603 ( 4.9A)
ZN  A 601 (-2.5A)
None
None
GOL  A 607 (-3.9A)
4QJ  A 603 (-4.7A)
4QJ  A 603 (-3.5A)
 0.59A 1xmuA-5b25A:
43.7		 1xmuA-5b25A:
35.63
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.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		5 HIS A  20
LEU A 264
TYR A 234
ILE A 241
SER A 255
 None
 1.43A 1xmuA-5dzsA:
undetectable		 1xmuA-5dzsA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 6 TYR A 668
HIS A 669
ASP A 823
TRP A 837
PHE A 845
PHE A 878
 LLN  A1003 ( 4.8A)
None
ZN  A1001 (-2.6A)
None
LLN  A1003 (-4.6A)
LLN  A1003 (-3.8A)
 0.28A 1xmuA-5h2rA:
39.6		 1xmuA-5h2rA:
32.23
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.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 5 TYR A1095
LEU A1065
PHE A1127
SER A1029
PHE A1031
 None
 1.50A 1xmuA-5id6A:
undetectable		 1xmuA-5id6A:
14.77
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.
5in7 NEURONAL MIGRATION
PROTEIN DOUBLECORTIN

(Homo sapiens) 		PF03607
(DCX) 		5 ASP A 167
LEU A 164
ILE A 149
SER A 205
PHE A 138
 None
 1.33A 1xmuA-5in7A:
undetectable		 1xmuA-5in7A:
16.10
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A  24
LEU A  37
TYR A  11
ILE A 414
SER A  62
 None
 0.97A 1xmuA-5neuA:
undetectable		 1xmuA-5neuA:
20.27
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 11 TYR A 405
HIS A 406
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
PHE A 586
SER A 614
PHE A 618
 None
None
ZN  A 699 ( 2.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
9VE  A 801 (-4.6A)
None
9VE  A 801 (-4.1A)
9VE  A 801 (-3.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
 0.26A 1xmuA-5ohjA:
53.3		 1xmuA-5ohjA:
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 8 TYR A 405
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
MET A 603
PHE A 618
 None
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
9VE  A 801 (-4.6A)
None
9VE  A 801 (-4.1A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.9A)
 0.67A 1xmuA-5ohjA:
53.3		 1xmuA-5ohjA:
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.
5t77 PUTATIVE LIPID II
FLIPPASE MURJ

(Thermosipho
africanus) 		PF03023
(MVIN) 		5 ASP A  25
TYR A 249
ILE A 313
SER A 324
PHE A 322
 None
 1.48A 1xmuA-5t77A:
undetectable		 1xmuA-5t77A:
20.12
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A 341
TYR A 294
ILE A 348
SER A 206
PHE A 155
 None
 1.21A 1xmuA-5u09A:
undetectable		 1xmuA-5u09A:
20.90
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 6 HIS A  83
ASP A 236
LEU A 237
PRO A 240
PHE A 258
PHE A 291
 None
ZN  A 401 (-2.4A)
None
None
None
None
 0.61A 1xmuA-5vydA:
39.9		 1xmuA-5vydA:
29.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 6 HIS A  83
ASP A 236
LEU A 237
TRP A 250
PHE A 258
PHE A 291
 None
ZN  A 401 (-2.4A)
None
None
None
None
 0.76A 1xmuA-5vydA:
39.9		 1xmuA-5vydA:
29.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 HIS A 154
ASP A  44
PRO A  73
SER A 452
PHE A 122
 GOL  A 801 (-4.0A)
GOL  A 801 (-3.0A)
None
None
None
 1.25A 1xmuA-5wabA:
undetectable		 1xmuA-5wabA:
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 11 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
MET A 357
SER A 368
PHE A 372
 AKJ  A 601 ( 4.7A)
None
ZN  A 602 (-2.5A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.9A)
AKJ  A 601 (-4.8A)
None
AKJ  A 601 (-3.8A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-2.5A)
AKJ  A 601 (-4.1A)
 0.67A 1xmuA-5wh6A:
52.5		 1xmuA-5wh6A:
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 10 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
PHE A 372
 AKJ  A 601 ( 4.7A)
None
ZN  A 602 (-2.5A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.9A)
AKJ  A 601 (-4.8A)
None
AKJ  A 601 (-3.8A)
AKJ  A 601 (-4.5A)
AKJ  A 601 (-4.1A)
 0.39A 1xmuA-5wh6A:
52.5		 1xmuA-5wh6A:
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.
1b4j ANTIBODY

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN L   1
THR L  97
MET L   4
GLN L  90
 None
 1.46A 1xmuA-1b4jL:
undetectable		 1xmuA-1b4jL:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 MET A 397
ASN A 270
THR A 265
GLN A 247
 None
 1.49A 1xmuA-2d4wA:
undetectable		 1xmuA-2d4wA:
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 ASN A  79
THR A  54
MET A   1
GLN A  77
 None
 1.40A 1xmuA-2jg5A:
undetectable		 1xmuA-2jg5A:
21.77
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.
2qvx 4-CHLOROBENZOATE COA
LIGASE

(Alcaligenes sp.
AL3007) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASN X   5
THR X   3
MET X   1
GLN X 175
 None
 1.50A 1xmuA-2qvxX:
0.2		 1xmuA-2qvxX:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 485
ASN A 533
THR A 545
MET A 549
GLN A 581
 None
NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
 0.21A 1xmuA-2qykA:
52.9		 1xmuA-2qykA:
87.16
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 MET A 312
ASN A  99
THR A 101
MET A  86
 None
 1.39A 1xmuA-2y8nA:
0.0		 1xmuA-2y8nA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 439
ASN A 487
THR A 499
MET A 503
GLN A 535
 D71  A 901 ( 4.0A)
D71  A 901 (-4.5A)
D71  A 901 (-3.6A)
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
 0.55A 1xmuA-3g4gA:
51.2		 1xmuA-3g4gA:
66.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 347
ASN A 395
THR A 407
MET A 411
GLN A 443
 ZG2  A 506 (-3.9A)
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.3A)
None
ZG2  A 506 (-3.3A)
 0.23A 1xmuA-3o57A:
54.3		 1xmuA-3o57A:
93.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 273
ASN A 321
THR A 333
MET A 337
GLN A 369
 MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
MET  A 337 ( 0.0A)
GLN  A 369 (-0.6A)
 0.26A 1xmuA-3sl5A:
51.4		 1xmuA-3sl5A:
84.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sns LIPOPROTEIN 34

(Escherichia
coli) 		PF06804
(Lipoprotein_18) 		4 MET A 264
ASN A 331
THR A 327
GLN A 330
 None
 1.40A 1xmuA-3snsA:
undetectable		 1xmuA-3snsA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		4 ASN A  27
THR A 302
MET A 304
GLN A  26
 None
None
None
MG  A1349 (-3.0A)
 1.42A 1xmuA-3zthA:
undetectable		 1xmuA-3zthA:
23.08
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.
4hk9 ENDO-1,4-BETA-XYLANA
SE 2

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		4 ASN A  57
THR A  55
MET A 169
GLN A 172
 None
 1.49A 1xmuA-4hk9A:
undetectable		 1xmuA-4hk9A:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 519
ASN A 567
THR A 579
MET A 583
GLN A 615
 None
 0.42A 1xmuA-4wziA:
52.5		 1xmuA-4wziA:
61.39
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 MET A 519
ASN A 567
THR A 579
MET A 583
GLN A 615
 9VE  A 801 (-3.8A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.2A)
 0.28A 1xmuA-5ohjA:
53.3		 1xmuA-5ohjA:
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 MET A 273
ASN A 321
THR A 333
MET A 337
GLN A 369
 AKJ  A 601 ( 3.9A)
AKJ  A 601 (-4.3A)
AKJ  A 601 (-4.1A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-3.0A)
 0.23A 1xmuA-5wh6A:
52.5		 1xmuA-5wh6A:
undetectable