SIMILAR PATTERNS OF AMINO ACIDS FOR 1XMU_B_ROFB102

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.
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
 1.50A 1xmuB-1piiA:
undetectable		 1xmuB-1piiA:
21.90
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) 		7 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
ILE A 955
PHE A 959
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-4.2A)
None
 0.48A 1xmuB-1sojA:
41.8		 1xmuB-1sojA:
30.21
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) 		6 TYR A 211
HIS A 212
ASP A 362
PRO A 366
TRP A 376
PHE A 384
 IBM  A 503 (-4.6A)
None
ZN  A 501 (-2.5A)
None
None
IBM  A 503 (-4.5A)
 0.24A 1xmuB-1zklA:
45.2		 1xmuB-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.
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
 1.31A 1xmuB-2qgyA:
undetectable		 1xmuB-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) 		12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
PRO A 534
TYR A 541
TRP A 544
ILE A 548
PHE A 552
MET A 569
SER A 580
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
None
None
None
NPV  A   3 (-3.8A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
 0.45A 1xmuB-2qykA:
52.4		 1xmuB-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
MET A 395
ASP A 440
LEU A 441
PRO A 444
TYR A 451
TRP A 454
ILE A 458
 None
None
None
ZN  A   1 (-2.5A)
None
None
None
None
None
 0.54A 1xmuB-2qymA:
43.4		 1xmuB-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
MET A 797
ASP A 835
TRP A 849
PHE A 857
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
ZN  A   1 (-2.6A)
None
IBM  A   3 (-4.9A)
 0.36A 1xmuB-2r8qA:
39.8		 1xmuB-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
 1.32A 1xmuB-2yn1A:
undetectable		 1xmuB-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) 		5 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 786
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
None
 0.73A 1xmuB-3b2rA:
31.0		 1xmuB-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) 		5 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 786
 None
MG  A 877 (-4.4A)
ZN  A 876 (-2.5A)
WAN  A 901 ( 4.7A)
WAN  A 901 (-4.8A)
 0.57A 1xmuB-3bjcA:
33.7		 1xmuB-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
MET A 670
ASP A 726
PRO A 730
TRP A 740
ILE A 744
SER A 777
 None
None
IBM  A   3 (-4.5A)
ZN  A   1 (-2.6A)
None
None
IBM  A   3 (-4.3A)
None
 0.38A 1xmuB-3ecnA:
44.7		 1xmuB-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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 TYR A 316
MET A 347
LEU A 374
TYR A 412
SER A 553
 None
 1.35A 1xmuB-3fn9A:
undetectable		 1xmuB-3fn9A:
20.82
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 ASP A 484
LEU A 485
PRO A 488
TYR A 495
PHE A 196
 ZN  A 801 (-2.6A)
None
None
None
D71  A 901 (-3.9A)
 1.13A 1xmuB-3g4gA:
51.3		 1xmuB-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) 		6 MET A 439
ASP A 484
LEU A 485
ILE A 502
PHE A 506
SER A 534
 D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
D71  A 901 (-4.1A)
D71  A 901 (-4.8A)
D71  A 901 (-3.4A)
 0.93A 1xmuB-3g4gA:
51.3		 1xmuB-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) 		7 MET A 439
ASP A 484
LEU A 485
PRO A 488
TYR A 495
ILE A 502
PHE A 506
 D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
None
None
D71  A 901 (-4.1A)
D71  A 901 (-4.8A)
 0.61A 1xmuB-3g4gA:
51.3		 1xmuB-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) 		7 TYR A 325
HIS A 326
ASP A 484
ILE A 502
PHE A 506
MET A 523
SER A 534
 None
D71  A 901 (-4.5A)
ZN  A 801 (-2.6A)
D71  A 901 (-4.1A)
D71  A 901 (-4.8A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.4A)
 1.05A 1xmuB-3g4gA:
51.3		 1xmuB-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) 		7 TYR A 325
HIS A 326
ASP A 484
LEU A 485
ILE A 502
PHE A 506
SER A 534
 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 (-3.4A)
 0.65A 1xmuB-3g4gA:
51.3		 1xmuB-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) 		9 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
 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)
 0.28A 1xmuB-3g4gA:
51.3		 1xmuB-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) 		9 TYR A 325
HIS A 326
ASP A 484
PRO A 488
TYR A 495
TRP A 498
ILE A 502
PHE A 506
MET A 523
 None
D71  A 901 (-4.5A)
ZN  A 801 (-2.6A)
None
None
None
D71  A 901 (-4.1A)
D71  A 901 (-4.8A)
D71  A 901 ( 4.0A)
 0.69A 1xmuB-3g4gA:
51.3		 1xmuB-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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
 None
None
ZN  A   1 (-2.7A)
None
None
 0.68A 1xmuB-3ibjA:
32.6		 1xmuB-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
 1.43A 1xmuB-3j9uC:
undetectable		 1xmuB-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
 1.28A 1xmuB-3mgbA:
undetectable		 1xmuB-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
MET A 347
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
 None
None
ZG2  A 506 (-3.9A)
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
 0.39A 1xmuB-3o57A:
53.6		 1xmuB-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 MET L 432
TYR L 102
ILE L 353
MET L 243
SER L 250
 None
 1.23A 1xmuB-3rkoL:
undetectable		 1xmuB-3rkoL:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 TYR A  84
HIS A  86
LEU A 107
ILE A  69
SER A 147
 None
 1.48A 1xmuB-3rstA:
undetectable		 1xmuB-3rstA:
20.85
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
MET A 273
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
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
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)
 0.44A 1xmuB-3sl5A:
51.1		 1xmuB-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
 1.39A 1xmuB-3tqdA:
undetectable		 1xmuB-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) 		6 TYR A 524
HIS A 525
ASP A 674
LEU A 675
ILE A 692
PHE A 696
 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)
 0.58A 1xmuB-3ui7A:
38.2		 1xmuB-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) 		5 TYR A 524
HIS A 525
LEU A 635
ILE A 692
PHE A 696
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 (-4.3A)
C1L  A   1 ( 4.7A)
 1.49A 1xmuB-3ui7A:
38.2		 1xmuB-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) 		6 TYR A 367
HIS A 368
ASP A 521
TRP A 535
ILE A 538
PHE A 542
 WYQ  A 701 (-4.5A)
None
ZN  A 702 (-1.9A)
None
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-4.7A)
 0.61A 1xmuB-3v94A:
40.1		 1xmuB-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.
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
 1.35A 1xmuB-4dh2A:
undetectable		 1xmuB-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
 1.25A 1xmuB-4dy0A:
undetectable		 1xmuB-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.
4h0f LAMININ-BINDING
SURFACE PROTEIN

(Streptococcus
agalactiae) 		PF01297
(ZnuA) 		5 HIS A  66
ASP A 140
LEU A 118
PHE A  39
MET A  42
 ZN  A 401 (-3.1A)
None
None
None
None
 1.48A 1xmuB-4h0fA:
undetectable		 1xmuB-4h0fA:
20.95
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
PHE A 830
 None
None
ZN  A1001 (-2.5A)
None
None
None
 0.54A 1xmuB-4htzA:
38.8		 1xmuB-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
MET A 785
ASP A 822
TRP A 836
PHE A 844
 None
None
None
ZN  A1001 (-2.5A)
None
None
 0.35A 1xmuB-4i15A:
38.9		 1xmuB-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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		5 TYR A  84
HIS A  86
LEU A 107
ILE A  69
SER A 147
 None
 1.46A 1xmuB-4kwbA:
undetectable		 1xmuB-4kwbA:
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.
4lcm TRANSESTERASE

(Aspergillus
terreus) 		PF00144
(Beta-lactamase) 		5 MET A 224
LEU A  81
ILE A 369
PHE A 384
MET A  36
 None
 1.34A 1xmuB-4lcmA:
undetectable		 1xmuB-4lcmA:
23.50
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.
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
 1.16A 1xmuB-4um8A:
undetectable		 1xmuB-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) 		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
 1.03A 1xmuB-4wziA:
52.4		 1xmuB-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) 		11 TYR A 405
HIS A 406
MET A 519
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
PHE A 586
SER A 614
 None
MG  A 804 ( 4.9A)
None
ZN  A 801 (-2.5A)
None
None
None
None
None
None
None
 0.67A 1xmuB-4wziA:
52.4		 1xmuB-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
MET A 336
ASP A 370
PRO A 374
TRP A 384
PHE A 392
SER A 420
 None
4QJ  A 603 ( 4.9A)
4QJ  A 603 ( 3.9A)
ZN  A 601 (-2.5A)
None
None
GOL  A 607 (-3.9A)
4QJ  A 603 (-4.7A)
 0.52A 1xmuB-5b25A:
43.9		 1xmuB-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
 1.45A 1xmuB-5dzsA:
undetectable		 1xmuB-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
MET A 785
ASP A 823
TRP A 837
PHE A 845
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.0A)
ZN  A1001 (-2.6A)
None
LLN  A1003 (-4.6A)
 0.40A 1xmuB-5h2rA:
39.6		 1xmuB-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.
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
 0.98A 1xmuB-5neuA:
undetectable		 1xmuB-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
MET A 519
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
PHE A 586
SER A 614
 None
None
9VE  A 801 (-3.8A)
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)
 0.30A 1xmuB-5ohjA:
52.8		 1xmuB-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 10 TYR A 405
MET A 519
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
MET A 603
SER A 614
 None
9VE  A 801 (-3.8A)
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)
 0.65A 1xmuB-5ohjA:
52.8		 1xmuB-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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 6 HIS A  83
MET A 195
ASP A 236
LEU A 237
PRO A 240
PHE A 258
 None
None
ZN  A 401 (-2.4A)
None
None
None
 0.56A 1xmuB-5vydA:
40.4		 1xmuB-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
MET A 195
ASP A 236
LEU A 237
TRP A 250
PHE A 258
 None
None
ZN  A 401 (-2.4A)
None
None
None
 0.50A 1xmuB-5vydA:
40.4		 1xmuB-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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 11 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
MET A 357
SER A 368
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
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)
 0.65A 1xmuB-5wh6A:
52.3		 1xmuB-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
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
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)
 0.37A 1xmuB-5wh6A:
52.3		 1xmuB-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
 1.48A 1xmuB-1b4jL:
undetectable		 1xmuB-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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 ASN A  69
THR A  72
GLN A 142
PHE A 143
 MET  A 401 ( 3.8A)
MET  A 401 (-3.8A)
MET  A 401 (-3.0A)
None
 1.38A 1xmuB-1d6sA:
undetectable		 1xmuB-1d6sA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 THR A  39
MET A  41
GLN A 193
PHE A 645
 None
None
PGD  A 783 (-4.1A)
None
 1.26A 1xmuB-1dmsA:
undetectable		 1xmuB-1dmsA:
18.25
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		4 ASN A 258
THR A 260
GLN A 264
PHE A 268
 None
 1.44A 1xmuB-1q3sA:
undetectable		 1xmuB-1q3sA:
20.37
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.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		4 ASN A 140
MET A  85
GLN A  97
PHE A 137
 None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
 1.32A 1xmuB-2a30A:
0.4		 1xmuB-2a30A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a67 ISOCHORISMATASE
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF00857
(Isochorismatase) 		4 ASN A 140
THR A 137
GLN A 109
PHE A 112
 None
 1.42A 1xmuB-2a67A:
undetectable		 1xmuB-2a67A:
17.02
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 ASN A  79
THR A  54
MET A   1
GLN A  77
 None
 1.42A 1xmuB-2jg5A:
undetectable		 1xmuB-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.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		4 ASN A 154
MET A  99
GLN A 111
PHE A 151
 None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
 1.48A 1xmuB-2ocpA:
0.2		 1xmuB-2ocpA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q37 OHCU DECARBOXYLASE

(Arabidopsis
thaliana) 		PF09349
(OHCU_decarbox) 		4 ASN A  63
MET A 123
GLN A  81
PHE A  85
 None
 1.23A 1xmuB-2q37A:
undetectable		 1xmuB-2q37A:
18.78
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 ASN A 533
THR A 545
MET A 549
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.26A 1xmuB-2qykA:
52.4		 1xmuB-2qykA:
87.16
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 ASN A 487
THR A 499
MET A 503
GLN A 535
PHE A 538
 D71  A 901 (-4.5A)
D71  A 901 (-3.6A)
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.34A 1xmuB-3g4gA:
51.3		 1xmuB-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.
3h0g DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC3

(Schizosaccharomyces
pombe) 		PF03870
(RNA_pol_Rpb8) 		4 ASN H  37
THR H  39
MET H 102
PHE H  11
 None
 1.26A 1xmuB-3h0gH:
undetectable		 1xmuB-3h0gH:
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		4 ASN A 235
THR A 202
GLN A 205
PHE A 170
 None
 1.41A 1xmuB-3ivuA:
undetectable		 1xmuB-3ivuA:
21.60
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 ASN A 395
THR A 407
MET A 411
GLN A 443
PHE A 446
 ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.3A)
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.56A 1xmuB-3o57A:
53.6		 1xmuB-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 ASN A 321
THR A 333
MET A 337
GLN A 369
PHE A 372
 ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
MET  A 337 ( 0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.51A 1xmuB-3sl5A:
51.1		 1xmuB-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.
3ue2 POLY(U)-BINDING-SPLI
CING FACTOR PUF60

(Homo sapiens) 		no annotation 4 ASN A 494
THR A 462
GLN A 549
PHE A 552
 None
 1.48A 1xmuB-3ue2A:
undetectable		 1xmuB-3ue2A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.47A 1xmuB-3zthA:
undetectable		 1xmuB-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
 1.46A 1xmuB-4hk9A:
undetectable		 1xmuB-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 ASN A 567
THR A 579
MET A 583
GLN A 615
PHE A 618
 None
 0.29A 1xmuB-4wziA:
52.4		 1xmuB-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 ASN A 567
THR A 579
MET A 583
GLN A 615
PHE A 618
 9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.15A 1xmuB-5ohjA:
52.8		 1xmuB-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 ASN A 321
THR A 333
MET A 337
GLN A 369
PHE A 372
 AKJ  A 601 (-4.3A)
AKJ  A 601 (-4.1A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.18A 1xmuB-5wh6A:
52.3		 1xmuB-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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASN K 419
THR K 392
GLN K 389
PHE K 416
 None
 1.31A 1xmuB-6d6qK:
undetectable		 1xmuB-6d6qK:
undetectable