SIMILAR PATTERNS OF AMINO ACIDS FOR 1XOT_B_VDNB102_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 198
LEU A 227
MET A 368
SER A 379
PHE A 381
 CU  A 665 (-3.1A)
None
None
None
None
 1.50A 1xotB-1hcyA:
undetectable		 1xotB-1hcyA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		5 LEU A 106
SER A 173
MET A 171
GLN A 233
PHE A 194
 None
 1.44A 1xotB-1jv1A:
undetectable		 1xotB-1jv1A:
21.15
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) 		6 TYR A 736
HIS A 737
ILE A 955
SER A 974
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.51A 1xotB-1sojA:
41.9		 1xotB-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
ASN A 365
SER A 399
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
IBM  A 503 ( 4.7A)
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.67A 1xotB-1zklA:
45.2		 1xotB-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.
2dla 397AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF04104
(DNA_primase_lrg) 		5 LEU A  70
ASN A  89
MET A   4
SER A   9
PHE A   8
 None
 1.43A 1xotB-2dlaA:
undetectable		 1xotB-2dlaA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A 325
LEU A  91
ASN A  89
ILE A 319
SER A 336
 None
 1.40A 1xotB-2fnuA:
undetectable		 1xotB-2fnuA:
22.86
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.
2ija ARYLAMINE
N-ACETYLTRANSFERASE
1

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		5 TYR A 190
LEU A 135
ILE A 189
SER A 184
SER A 128
 None
 1.45A 1xotB-2ijaA:
undetectable		 1xotB-2ijaA:
19.81
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.
2kkn UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF12850
(Metallophos_2) 		5 LEU A 145
ILE A  84
MET A  86
SER A   8
PHE A   4
 None
 1.36A 1xotB-2kknA:
undetectable		 1xotB-2kknA:
22.14
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
MET A 485
LEU A 531
ASN A 533
ILE A 548
MET A 549
SER A 567
MET A 569
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
None
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.63A 1xotB-2qykA:
52.3		 1xotB-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
MET A 485
LEU A 531
ASN A 533
ILE A 548
MET A 549
SER A 567
MET A 569
SER A 580
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
None
NPV  A   3 (-4.4A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
None
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.3A)
 0.69A 1xotB-2qykA:
52.3		 1xotB-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) 		7 TYR A 281
HIS A 282
MET A 395
LEU A 441
ASN A 443
ILE A 458
PHE A 494
 None
 0.58A 1xotB-2qymA:
43.3		 1xotB-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) 		7 TYR A 680
HIS A 681
MET A 797
ASN A 838
MET A 874
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
IBM  A   3 (-4.5A)
IBM  A   3 ( 3.8A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.72A 1xotB-2r8qA:
39.8		 1xotB-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.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 131
ILE A  91
SER A  98
SER A 118
PHE A 120
 None
 1.37A 1xotB-2z80A:
undetectable		 1xotB-2z80A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 MET A 286
LEU A 292
ILE A 222
SER A 312
SER A 252
 None
 1.46A 1xotB-2zleA:
undetectable		 1xotB-2zleA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 612
HIS A 613
LEU A 765
GLN A 817
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
VDN  A   1 ( 4.7A)
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
 0.59A 1xotB-3b2rA:
31.1		 1xotB-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
LEU A 765
GLN A 817
PHE A 820
 None
MG  A 877 (-4.4A)
WAN  A 901 ( 4.7A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 0.53A 1xotB-3bjcA:
33.8		 1xotB-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) 		6 TYR A 555
HIS A 556
ASN A 729
ILE A 744
SER A 777
PHE A 781
 None
None
None
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.5A)
 0.60A 1xotB-3ecnA:
44.7		 1xotB-3ecnA:
34.16
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) 		7 TYR A 555
HIS A 556
MET A 670
ASN A 729
ILE A 744
GLN A 778
PHE A 781
 None
None
IBM  A   3 (-4.5A)
None
IBM  A   3 (-4.3A)
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.40A 1xotB-3ecnA:
44.7		 1xotB-3ecnA:
34.16
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 HIS A 330
MET A 439
LEU A 485
GLN A 535
PHE A 538
 ZN  A 801 (-3.4A)
D71  A 901 ( 4.0A)
None
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 1.15A 1xotB-3g4gA:
51.2		 1xotB-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 MET A 439
LEU A 485
ASN A 487
ILE A 502
MET A 503
SER A 521
SER A 534
GLN A 535
PHE A 538
 D71  A 901 ( 4.0A)
None
D71  A 901 (-4.5A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
None
D71  A 901 (-3.4A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.81A 1xotB-3g4gA:
51.2		 1xotB-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) 		10 TYR A 325
HIS A 326
LEU A 485
ASN A 487
ILE A 502
MET A 503
SER A 521
SER A 534
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
None
D71  A 901 (-4.5A)
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
None
D71  A 901 (-3.4A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.68A 1xotB-3g4gA:
51.2		 1xotB-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
ILE A 502
MET A 503
SER A 521
MET A 523
SER A 534
GLN A 535
 None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
None
D71  A 901 ( 4.0A)
D71  A 901 (-3.4A)
D71  A 901 (-3.1A)
 1.15A 1xotB-3g4gA:
51.2		 1xotB-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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 LEU A 113
ILE A 245
SER A 228
SER A  92
PHE A  96
 None
 1.37A 1xotB-3g87A:
undetectable		 1xotB-3g87A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 MET A 418
LEU A 406
ASN A 373
ILE A 330
SER A 412
 None
 1.43A 1xotB-3i2tA:
undetectable		 1xotB-3i2tA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		6 TYR A 655
HIS A 656
LEU A 809
ILE A 826
GLN A 859
PHE A 862
 None
 0.85A 1xotB-3ibjA:
32.8		 1xotB-3ibjA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 252
MET A 365
ASN A 405
GLN A 453
PHE A 456
 None
None
IBM  A   1 (-3.5A)
IBM  A   1 (-3.5A)
IBM  A   1 (-3.4A)
 0.80A 1xotB-3n3zA:
41.2		 1xotB-3n3zA:
30.69
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) 		10 TYR A 233
HIS A 234
ASN A 395
ILE A 410
MET A 411
SER A 429
MET A 431
SER A 442
GLN A 443
PHE A 446
 None
None
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.4A)
None
ARS  A   3 (-4.4A)
ZG2  A 506 (-3.4A)
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.75A 1xotB-3o57A:
53.4		 1xotB-3o57A:
93.83
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) 		11 TYR A 233
HIS A 234
MET A 347
LEU A 393
ASN A 395
ILE A 410
MET A 411
SER A 429
SER A 442
GLN A 443
PHE A 446
 None
None
ZG2  A 506 (-3.9A)
None
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.4A)
None
ARS  A   3 (-4.4A)
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.56A 1xotB-3o57A:
53.4		 1xotB-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) 		11 TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.59A 1xotB-3sl5A:
50.9		 1xotB-3sl5A:
84.81
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) 		11 TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
MET A 357
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.73A 1xotB-3sl5A:
50.9		 1xotB-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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 524
HIS A 525
LEU A 675
ILE A 692
MET A 713
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
C1L  A   1 (-4.3A)
C1L  A   1 (-4.3A)
C1L  A   1 (-3.7A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 1.04A 1xotB-3ui7A:
38.4		 1xotB-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) 		5 TYR A 367
HIS A 368
ILE A 538
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.34A 1xotB-3v94A:
40.1		 1xotB-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
MET A 482
ILE A 538
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
WYQ  A 701 (-4.5A)
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.84A 1xotB-3v94A:
40.1		 1xotB-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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 655
HIS A 656
LEU A 809
ILE A 826
MET A 847
GLN A 859
PHE A 862
 None
 0.76A 1xotB-4htzA:
38.9		 1xotB-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) 		7 TYR A 668
HIS A 669
MET A 785
ASN A 825
MET A 861
GLN A 874
PHE A 877
 None
 0.88A 1xotB-4i15A:
38.9		 1xotB-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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 LEU A 201
ILE A 184
MET A 243
SER A 147
GLN A 269
 None
GOL  A 410 ( 4.9A)
None
None
None
 1.49A 1xotB-4i1dA:
undetectable		 1xotB-4i1dA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 LEU A 204
ILE A 184
MET A 243
SER A 147
GLN A 269
 None
GOL  A 410 ( 4.9A)
None
None
None
 1.45A 1xotB-4i1dA:
undetectable		 1xotB-4i1dA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1s POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		5 MET A 132
ILE A  92
SER A  43
MET A  45
GLN A  90
 None
 1.17A 1xotB-4j1sA:
undetectable		 1xotB-4j1sA:
24.50
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 LEU A 304
ASN A 311
ILE A 330
SER A 356
GLN A 331
 None
 1.49A 1xotB-4j9vA:
undetectable		 1xotB-4j9vA:
23.60
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS E 154
LEU E  85
ILE E 174
MET E 163
PHE E 113
 None
 1.40A 1xotB-4md8E:
undetectable		 1xotB-4md8E:
21.72
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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 LEU A 212
ASN A 256
ILE A 255
MET A 204
SER A 235
 None
 1.47A 1xotB-4nu2A:
undetectable		 1xotB-4nu2A:
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.
4q8g PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF13423
(UCH_1) 		5 MET A 703
LEU A 735
ILE A 695
SER A 773
PHE A 760
 None
 0.99A 1xotB-4q8gA:
undetectable		 1xotB-4q8gA:
19.88
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) 		7 TYR A 405
ASN A 567
ILE A 582
MET A 583
SER A 601
MET A 603
GLN A 615
 None
 1.09A 1xotB-4wziA:
52.1		 1xotB-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
LEU A 565
ASN A 567
ILE A 582
MET A 583
SER A 601
SER A 614
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
None
None
None
 0.83A 1xotB-4wziA:
52.1		 1xotB-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
MET A 519
LEU A 565
ASN A 567
ILE A 582
MET A 583
SER A 601
SER A 614
GLN A 615
PHE A 618
 None
 0.87A 1xotB-4wziA:
52.1		 1xotB-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.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		5 LEU A  13
ILE A 161
SER A 355
SER A 156
PHE A 154
 None
 1.43A 1xotB-5aynA:
undetectable		 1xotB-5aynA:
21.32
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) 		6 TYR A 222
HIS A 223
MET A 336
SER A 407
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
4QJ  A 603 ( 3.9A)
GOL  A 607 (-4.1A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.81A 1xotB-5b25A:
43.9		 1xotB-5b25A:
35.63
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 7 TYR A 668
HIS A 669
MET A 785
ASN A 826
MET A 862
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.0A)
LLN  A1003 (-4.4A)
LLN  A1003 (-3.5A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.66A 1xotB-5h2rA:
39.6		 1xotB-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.
5k52 ALDEHYDE
DECARBONYLASE

(Limnothrix sp.
KNUA012) 		PF11266
(Ald_deCOase) 		5 TYR A 206
LEU A 166
ASN A 170
SER A 216
PHE A 215
 None
 1.37A 1xotB-5k52A:
undetectable		 1xotB-5k52A:
24.38
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 TYR B 135
MET B  77
ILE B 133
SER B  47
PHE B 129
 None
 1.37A 1xotB-5ldrB:
undetectable		 1xotB-5ldrB:
18.37
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 8 HIS A 406
MET A 519
LEU A 565
MET A 583
SER A 601
MET A 603
SER A 614
PHE A 618
 None
9VE  A 801 (-3.8A)
9VE  A 801 (-4.7A)
9VE  A 801 ( 4.0A)
None
9VE  A 801 (-3.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.9A)
 0.91A 1xotB-5ohjA:
52.6		 1xotB-5ohjA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 11 TYR A 405
HIS A 406
MET A 519
LEU A 565
ASN A 567
ILE A 582
MET A 583
SER A 601
MET A 603
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-3.8A)
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
None
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.64A 1xotB-5ohjA:
52.6		 1xotB-5ohjA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tzk GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		5 LEU C 278
ILE C 309
SER C 318
GLN C 271
PHE C 262
 None
 1.21A 1xotB-5tzkC:
undetectable		 1xotB-5tzkC:
23.13
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 5 HIS A  83
MET A 195
LEU A 237
ASN A 239
PHE A 291
 None
 0.67A 1xotB-5vydA:
40.4		 1xotB-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.
5vyl INNER TEGUMENT
PROTEIN

(Human
alphaherpesvirus
1) 		PF03970
(Herpes_UL37_1) 		5 HIS A 251
LEU A 310
ILE A 255
SER A 362
GLN A 293
 None
 1.48A 1xotB-5vylA:
undetectable		 1xotB-5vylA:
20.21
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 11 TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
MET A 357
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-4.3A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
None
AKJ  A 601 (-3.4A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.58A 1xotB-5wh6A:
52.1		 1xotB-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 11 TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
SER A 368
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-4.3A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
None
AKJ  A 601 (-2.5A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.62A 1xotB-5wh6A:
52.1		 1xotB-5wh6A:
undetectable