SIMILAR PATTERNS OF AMINO ACIDS FOR 1XOM_A_CIOA603

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.
1cx1 ENDOGLUCANASE C

(Cellulomonas
fimi) 		PF02018
(CBM_4_9) 		5 LEU A  68
ILE A 143
MET A  37
PHE A  15
PHE A 131
 None
 1.34A 1xomA-1cx1A:
undetectable		 1xomA-1cx1A:
18.21
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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 LEU A  90
ILE A  97
PHE A  59
SER A   5
PHE A   7
 None
 1.18A 1xomA-1dctA:
undetectable		 1xomA-1dctA:
19.56
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.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		5 HIS A  13
ASP A 276
LEU A 246
ILE A  47
SER A  40
 None
 1.44A 1xomA-1fiuA:
undetectable		 1xomA-1fiuA:
20.77
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.
1gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A 126
LEU A 165
ILE A 113
PHE A 119
PHE A 208
 None
 1.14A 1xomA-1gtuA:
undetectable		 1xomA-1gtuA:
21.08
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.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		5 HIS A 154
LEU A  85
ILE A 174
MET A 163
PHE A 113
 None
None
HNA  A 351 (-3.8A)
HNA  A 351 ( 3.8A)
HNA  A 351 (-3.6A)
 1.44A 1xomA-1m2pA:
undetectable		 1xomA-1m2pA:
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.
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
 1.48A 1xomA-1mioB:
undetectable		 1xomA-1mioB:
22.15
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.
1rep PROTEIN (REPLICATION
INITIATION PROTEIN)

(Escherichia
coli) 		PF01051
(Rep_3) 		5 TYR C 192
LEU C 169
ILE C 188
PHE C 204
PHE C 240
 None
 1.44A 1xomA-1repC:
undetectable		 1xomA-1repC:
20.57
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
ILE A 955
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.54A 1xomA-1sojA:
42.2		 1xomA-1sojA:
31.99
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 TYR A  10
LEU A  17
ILE A 281
SER A 297
PHE A 287
 None
 1.42A 1xomA-1wu2A:
undetectable		 1xomA-1wu2A:
22.01
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
PHE A 384
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
ZN  A 501 (-2.5A)
IBM  A 503 (-4.5A)
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.58A 1xomA-1zklA:
45.6		 1xomA-1zklA:
33.60
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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		5 ASP A 156
LEU A  66
ILE A 159
MET A 181
PHE A 283
 None
 1.45A 1xomA-2ozeA:
undetectable		 1xomA-2ozeA:
23.66
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) 		6 TYR A 371
ASP A 413
ILE A 548
MET A 549
PHE A 552
MET A 569
 NPV  A   3 (-4.4A)
MG  A   2 ( 2.6A)
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
 1.45A 1xomA-2qykA:
52.4		 1xomA-2qykA:
82.16
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) 		12 TYR A 371
HIS A 372
MET A 485
ASP A 530
LEU A 531
ILE A 548
MET A 549
PHE A 552
MET A 569
SER A 580
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
ZN  A   1 (-2.5A)
None
NPV  A   3 (-3.8A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-4.5A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.42A 1xomA-2qykA:
52.4		 1xomA-2qykA:
82.16
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
ASP A 440
LEU A 441
ILE A 458
PHE A 494
 None
None
None
ZN  A   1 (-2.5A)
None
None
None
 0.44A 1xomA-2qymA:
43.7		 1xomA-2qymA:
82.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		8 TYR A 680
HIS A 681
MET A 797
ASP A 835
PHE A 857
MET A 874
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
ZN  A   1 (-2.6A)
IBM  A   3 (-4.9A)
IBM  A   3 ( 3.8A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.78A 1xomA-2r8qA:
39.4		 1xomA-2r8qA:
30.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
GLN A 775
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
VDN  A   1 ( 4.4A)
 1.00A 1xomA-3b2rA:
31.5		 1xomA-3b2rA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 786
GLN A 817
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 4.7A)
None
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
 0.65A 1xomA-3b2rA:
31.5		 1xomA-3b2rA:
31.23
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.
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
GLN A 775
 None
MG  A 877 (-4.4A)
ZN  A 876 (-2.5A)
WAN  A 901 ( 4.7A)
WAN  A 901 ( 4.6A)
 0.89A 1xomA-3bjcA:
34.2		 1xomA-3bjcA:
17.74
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) 		7 TYR A 612
HIS A 613
ASP A 764
LEU A 765
PHE A 786
GLN A 817
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 (-3.1A)
WAN  A 901 (-3.7A)
 0.66A 1xomA-3bjcA:
34.2		 1xomA-3bjcA:
17.74
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ASP A 395
LEU A 350
MET A 525
PHE A 526
PHE A 561
 EDO  A 803 (-2.6A)
None
None
None
None
 1.33A 1xomA-3cihA:
undetectable		 1xomA-3cihA:
18.94
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
ILE A 744
SER A 777
GLN A 778
PHE A 781
 None
None
IBM  A   3 (-4.5A)
ZN  A   1 (-2.6A)
IBM  A   3 (-4.3A)
None
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.37A 1xomA-3ecnA:
44.8		 1xomA-3ecnA:
33.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 1xomA-3fs3A:
undetectable		 1xomA-3fs3A:
22.42
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 HIS A 330
MET A 439
LEU A 485
MET A 503
GLN A 535
PHE A 538
 ZN  A 801 (-3.4A)
D71  A 901 ( 4.0A)
None
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 1.40A 1xomA-3g4gA:
52.9		 1xomA-3g4gA:
81.20
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) 		10 TYR A 325
HIS A 326
MET A 439
ASP A 484
LEU A 485
ILE A 502
MET A 503
PHE A 506
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-4.8A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.62A 1xomA-3g4gA:
52.9		 1xomA-3g4gA:
81.20
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) 		10 TYR A 325
HIS A 326
MET A 439
ASP A 484
LEU A 485
ILE A 502
MET A 503
PHE A 506
SER A 534
PHE A 538
 None
D71  A 901 (-4.5A)
D71  A 901 ( 4.0A)
ZN  A 801 (-2.6A)
None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 (-4.8A)
D71  A 901 (-3.4A)
D71  A 901 (-3.9A)
 0.80A 1xomA-3g4gA:
52.9		 1xomA-3g4gA:
81.20
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) 		5 TYR A 325
ILE A 502
MET A 503
MET A 523
GLN A 535
 None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.1A)
 0.74A 1xomA-3g4gA:
52.9		 1xomA-3g4gA:
81.20
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) 		5 TYR A 325
ILE A 502
MET A 503
MET A 523
SER A 534
 None
D71  A 901 (-4.1A)
D71  A 901 (-3.6A)
D71  A 901 ( 4.0A)
D71  A 901 (-3.4A)
 1.09A 1xomA-3g4gA:
52.9		 1xomA-3g4gA:
81.20
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
 1.25A 1xomA-3gs9A:
undetectable		 1xomA-3gs9A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 1xomA-3gywA:
undetectable		 1xomA-3gywA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5c PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 362
ILE A 203
PHE A 174
MET A 172
PHE A 200
 None
 1.43A 1xomA-3h5cA:
undetectable		 1xomA-3h5cA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 TYR A 242
MET A 180
LEU A 268
GLN A 360
PHE A 162
 None
 1.48A 1xomA-3hztA:
undetectable		 1xomA-3hztA:
21.74
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) 		7 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
GLN A 859
PHE A 862
 None
None
ZN  A   1 (-2.7A)
None
None
None
None
 1.00A 1xomA-3ibjA:
32.5		 1xomA-3ibjA:
18.88
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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 292
ILE A 341
PHE A 348
GLN A 339
PHE A 331
 SAH  A 385 (-3.8A)
None
None
None
None
 1.14A 1xomA-3ldgA:
undetectable		 1xomA-3ldgA:
20.00
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
ASP A 402
GLN A 453
PHE A 456
 None
None
ZN  A 507 (-2.9A)
IBM  A   1 (-3.5A)
IBM  A   1 (-3.4A)
 0.58A 1xomA-3n3zA:
41.3		 1xomA-3n3zA:
30.60
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) 		12 TYR A 233
HIS A 234
MET A 347
ASP A 392
LEU A 393
ILE A 410
MET A 411
PHE A 414
MET A 431
SER A 442
GLN A 443
PHE A 446
 None
None
ZG2  A 506 (-3.9A)
ZN  A   1 (-2.6A)
None
ZG2  A 506 (-4.4A)
None
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.4A)
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.66A 1xomA-3o57A:
52.3		 1xomA-3o57A:
82.81
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 TYR A  86
ASP A 540
ILE A  99
PHE A 304
GLN A  97
 None
 1.02A 1xomA-3s5kA:
undetectable		 1xomA-3s5kA:
13.29
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) 		6 TYR A 159
ASP A 201
ILE A 336
MET A 337
PHE A 340
MET A 357
 TYR  A 159 (-1.3A)
ASP  A 201 ( 0.5A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
 1.47A 1xomA-3sl5A:
53.0		 1xomA-3sl5A:
94.56
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
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372
 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)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.57A 1xomA-3sl5A:
53.0		 1xomA-3sl5A:
94.56
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) 		8 TYR A 524
HIS A 525
ASP A 674
LEU A 675
ILE A 692
PHE A 696
GLN A 726
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 (-2.9A)
C1L  A   1 (-3.5A)
 0.89A 1xomA-3ui7A:
38.5		 1xomA-3ui7A:
28.53
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.
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 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 (-4.3A)
C1L  A   1 (-3.5A)
 1.45A 1xomA-3ui7A:
38.5		 1xomA-3ui7A:
28.53
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 524
LEU A 675
ILE A 692
MET A 713
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
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)
 1.26A 1xomA-3ui7A:
38.5		 1xomA-3ui7A:
28.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		8 TYR A 367
HIS A 368
MET A 482
ASP A 521
ILE A 538
PHE A 542
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
WYQ  A 701 (-4.5A)
ZN  A 702 (-1.9A)
WYQ  A 701 ( 4.1A)
WYQ  A 701 (-4.7A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.81A 1xomA-3v94A:
40.2		 1xomA-3v94A:
30.62
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.
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
 1.37A 1xomA-3vf1A:
undetectable		 1xomA-3vf1A:
19.57
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
 1.37A 1xomA-4dh2A:
undetectable		 1xomA-4dh2A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 1xomA-4dy0A:
undetectable		 1xomA-4dy0A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4esa HEMOGLOBIN BETA
CHAIN

(Eleginops
maclovinus) 		PF00042
(Globin) 		5 LEU B  71
PHE B 122
MET B 118
SER B  17
PHE B  15
 HEM  B 202 ( 4.7A)
None
None
None
None
 1.47A 1xomA-4esaB:
undetectable		 1xomA-4esaB:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1xomA-4h0fA:
undetectable		 1xomA-4h0fA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 MET A 106
LEU A  97
ILE A 119
SER A  85
PHE A  87
 None
 1.32A 1xomA-4hl6A:
undetectable		 1xomA-4hl6A:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 655
ASP A 697
ILE A 826
PHE A 830
MET A 847
 None
MG  A1002 ( 2.6A)
None
None
None
 1.29A 1xomA-4htzA:
38.6		 1xomA-4htzA:
28.53
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 655
ASP A 808
LEU A 809
ILE A 826
PHE A 830
MET A 847
GLN A 859
PHE A 862
 None
ZN  A1001 (-2.5A)
None
None
None
None
None
None
 0.97A 1xomA-4htzA:
38.6		 1xomA-4htzA:
28.53
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		8 TYR A 655
HIS A 656
ASP A 808
LEU A 809
ILE A 826
PHE A 830
GLN A 859
PHE A 862
 None
None
ZN  A1001 (-2.5A)
None
None
None
None
None
 0.67A 1xomA-4htzA:
38.6		 1xomA-4htzA:
28.53
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) 		8 TYR A 668
HIS A 669
MET A 785
ASP A 822
PHE A 844
MET A 861
GLN A 874
PHE A 877
 None
None
None
ZN  A1001 (-2.5A)
None
None
None
None
 0.87A 1xomA-4i15A:
38.7		 1xomA-4i15A:
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.
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
 1.34A 1xomA-4itaA:
undetectable		 1xomA-4itaA:
20.92
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.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 HIS A 193
LEU A  86
ILE A 213
MET A 202
PHE A 152
 None
None
GNP  A 401 (-4.6A)
GNP  A 401 (-3.6A)
None
 1.46A 1xomA-4jr7A:
undetectable		 1xomA-4jr7A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 1xomA-4md8E:
undetectable		 1xomA-4md8E:
21.35
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
 1.06A 1xomA-4q8gA:
undetectable		 1xomA-4q8gA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8h PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		5 MET A 703
LEU A 735
ILE A 695
SER A 773
PHE A 760
 None
 1.09A 1xomA-4q8hA:
undetectable		 1xomA-4q8hA:
18.45
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.
4rpc PUTATIVE ALPHA/BETA
HYDROLASE

(Desulfitobacterium
hafniense) 		PF12697
(Abhydrolase_6) 		5 MET A 155
ASP A 162
LEU A 147
ILE A 170
PHE A  29
 None
 1.41A 1xomA-4rpcA:
undetectable		 1xomA-4rpcA:
23.06
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) 		8 TYR A 405
HIS A 406
ILE A 582
MET A 583
PHE A 586
MET A 603
SER A 614
GLN A 615
 None
MG  A 804 ( 4.9A)
None
None
None
None
None
None
 0.89A 1xomA-4wziA:
52.8		 1xomA-4wziA:
48.52
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
ILE A 582
MET A 583
PHE A 586
SER A 614
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
ZN  A 801 (-2.5A)
None
None
None
None
None
None
None
 0.61A 1xomA-4wziA:
52.8		 1xomA-4wziA:
48.52
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
PHE A 392
SER A 420
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
4QJ  A 603 ( 3.9A)
ZN  A 601 (-2.5A)
GOL  A 607 (-3.9A)
4QJ  A 603 (-4.7A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.56A 1xomA-5b25A:
44.0		 1xomA-5b25A:
38.27
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 MET A 206
LEU A 169
ILE A 135
SER A  96
PHE A  98
 None
 1.44A 1xomA-5dmhA:
undetectable		 1xomA-5dmhA:
23.05
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 8 TYR A 668
HIS A 669
MET A 785
ASP A 823
PHE A 845
MET A 862
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.0A)
ZN  A1001 (-2.6A)
LLN  A1003 (-4.6A)
LLN  A1003 (-3.5A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.76A 1xomA-5h2rA:
39.3		 1xomA-5h2rA:
32.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		5 TYR A  19
LEU A  24
ILE A  65
PHE A  68
PHE A  82
 None
 1.48A 1xomA-5ifkA:
undetectable		 1xomA-5ifkA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 1xomA-5in7A:
undetectable		 1xomA-5in7A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS A 154
LEU A  85
ILE A 174
MET A 163
PHE A 113
 None
None
HC4  A 401 ( 3.7A)
HC4  A 401 ( 4.0A)
HC4  A 401 (-3.4A)
 1.44A 1xomA-5movA:
undetectable		 1xomA-5movA:
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 6 TYR A 405
ASP A 447
ILE A 582
MET A 583
PHE A 586
MET A 603
 None
MG  A 700 ( 2.7A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.6A)
 1.41A 1xomA-5ohjA:
52.6		 1xomA-5ohjA:
11.75
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.
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
ILE A 582
MET A 583
PHE A 586
MET A 603
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-3.8A)
ZN  A 699 ( 2.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.59A 1xomA-5ohjA:
52.6		 1xomA-5ohjA:
11.75
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.
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
ILE A 582
MET A 583
PHE A 586
SER A 614
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-3.8A)
ZN  A 699 ( 2.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.6A)
9VE  A 801 (-4.7A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.27A 1xomA-5ohjA:
52.6		 1xomA-5ohjA:
11.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 6 HIS A  83
MET A 195
ASP A 236
LEU A 237
PHE A 258
PHE A 291
 None
None
ZN  A 401 (-2.4A)
None
None
None
 0.59A 1xomA-5vydA:
40.2		 1xomA-5vydA:
32.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 6 TYR A 159
ASP A 201
ILE A 336
MET A 337
PHE A 340
MET A 357
 AKJ  A 601 ( 4.7A)
MG  A 603 ( 2.6A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.4A)
 1.46A 1xomA-5wh6A:
55.1		 1xomA-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
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
 AKJ  A 601 ( 4.7A)
None
ZN  A 602 (-2.5A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-2.5A)
AKJ  A 601 (-3.0A)
 0.49A 1xomA-5wh6A:
55.1		 1xomA-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
ASP A 318
LEU A 319
ILE A 336
MET A 337
PHE A 340
MET A 357
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 3.9A)
ZN  A 602 (-2.5A)
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-3.8A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.25A 1xomA-5wh6A:
55.1		 1xomA-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.
5zib -

(-) 		no annotation 5 ILE A 317
MET A 229
PHE A 235
MET A 238
SER A 302
 None
 1.26A 1xomA-5zibA:
undetectable		 1xomA-5zibA:
undetectable