SIMILAR PATTERNS OF AMINO ACIDS FOR 3WFH_B_P2EB301

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.
1dbr HYPOXANTHINE GUANINE
XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		PF00156
(Pribosyltran) 		5 PHE A 109
HIS A 111
VAL A 113
HIS A  73
LEU A 162
 None
 1.41A 3wfhA-1dbrA:
undetectable
3wfhB-1dbrA:
undetectable		 3wfhA-1dbrA:
18.58
3wfhB-1dbrA:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4x IMMUNOGLOBULIN HEAVY
CHAIN VARIABLE
REGION

(Mus musculus) 		PF07686
(V-set) 		5 HIS H 335
VAL H 337
TRP H 350
TYR H 403
TRP H 410
 None
 1.13A 3wfhA-1n4xH:
21.1
3wfhB-1n4xH:
15.6		 3wfhA-1n4xH:
49.17
3wfhB-1n4xH:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 PHE A 139
VAL A 260
TYR A  21
HIS A 180
LEU A 239
 BVP  A 500 (-3.7A)
None
BVP  A 500 ( 4.5A)
None
None
 1.47A 3wfhA-1osnA:
undetectable
3wfhB-1osnA:
undetectable		 3wfhA-1osnA:
20.18
3wfhB-1osnA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svz SINGLE-CHAIN FV
FRAGMENT 1696

(Mus musculus) 		PF07686
(V-set) 		6 HIS A 162
VAL A 164
TRP A 177
TRP A 237
TYR A  37
GLU A  39
 None
 0.83A 3wfhA-1svzA:
15.9
3wfhB-1svzA:
23.8		 3wfhA-1svzA:
23.77
3wfhB-1svzA:
53.44
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.
1svz SINGLE-CHAIN FV
FRAGMENT 1696

(Mus musculus) 		PF07686
(V-set) 		6 HIS A 162
VAL A 164
TRP A 237
HIS A  31
TYR A  37
GLU A  39
 None
 0.84A 3wfhA-1svzA:
15.9
3wfhB-1svzA:
23.8		 3wfhA-1svzA:
23.77
3wfhB-1svzA:
53.44
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A 126
HIS A 141
HIS A 315
TYR A 310
GLU A 137
 None
 1.29A 3wfhA-1xj5A:
undetectable
3wfhB-1xj5A:
undetectable		 3wfhA-1xj5A:
19.47
3wfhB-1xj5A:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, LIGHT
CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 HIS H  35
VAL H  37
TRP H  50
TRP H 106
LEU L  89
 None
 0.64A 3wfhA-2d7tH:
22.1
3wfhB-2d7tH:
15.5		 3wfhA-2d7tH:
40.39
3wfhB-2d7tH:
22.48
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.
2dwc 433AA LONG
HYPOTHETICAL
PHOSPHORIBOSYLGLYCIN
AMIDE FORMYL
TRANSFERASE

(Pyrococcus
horikoshii) 		PF02222
(ATP-grasp) 		5 HIS A 307
VAL A 302
HIS A 218
GLU A 213
LEU A 214
 None
 1.39A 3wfhA-2dwcA:
2.6
3wfhB-2dwcA:
2.5		 3wfhA-2dwcA:
19.77
3wfhB-2dwcA:
18.48
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 445
VAL A 448
HIS A 416
PRO A 417
LEU A 431
 None
 1.32A 3wfhA-2qykA:
undetectable
3wfhB-2qykA:
undetectable		 3wfhA-2qykA:
22.36
3wfhB-2qykA:
20.53
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 399
VAL A 402
HIS A 370
PRO A 371
LEU A 385
 None
 1.31A 3wfhA-3g4gA:
undetectable
3wfhB-3g4gA:
undetectable		 3wfhA-3g4gA:
19.95
3wfhB-3g4gA:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mnz ANTI-HIV-1 ANTIBODY
13H11 HEAVY CHAIN
ANTI-HIV-1 ANTIBODY
13H11 LIGHT CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS B  35
VAL B  37
TRP B  50
TRP B 103
LEU A  89
 None
 0.65A 3wfhA-3mnzB:
26.1
3wfhB-3mnzB:
19.0		 3wfhA-3mnzB:
56.62
3wfhB-3mnzB:
29.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mnz ANTI-HIV-1 ANTIBODY
13H11 HEAVY CHAIN
ANTI-HIV-1 ANTIBODY
13H11 LIGHT CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS B  35
VAL B  37
TRP B 103
TYR A  32
LEU A  89
 None
 0.82A 3wfhA-3mnzB:
26.1
3wfhB-3mnzB:
19.0		 3wfhA-3mnzB:
56.62
3wfhB-3mnzB:
29.88
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.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 325
VAL A 328
HIS A 296
PRO A 297
LEU A 311
 MG  A 508 ( 4.8A)
None
None
None
None
 1.42A 3wfhA-3n3zA:
undetectable
3wfhB-3n3zA:
undetectable		 3wfhA-3n3zA:
19.44
3wfhB-3n3zA:
19.44
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 307
VAL A 310
HIS A 278
PRO A 279
LEU A 293
 None
 1.33A 3wfhA-3o57A:
undetectable
3wfhB-3o57A:
undetectable		 3wfhA-3o57A:
19.82
3wfhB-3o57A:
19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s35 6.64 FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H  35
VAL H  37
TRP H  50
HIS H  99
TRP H 107
 None
 1.13A 3wfhA-3s35H:
28.0
3wfhB-3s35H:
18.8		 3wfhA-3s35H:
88.94
3wfhB-3s35H:
26.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bt6 ALPHA-ACETOLACTATE
DECARBOXYLASE

(Brevibacillus
brevis) 		PF03306
(AAL_decarboxy) 		5 HIS A 207
VAL A 147
HIS A 194
HIS A 250
LEU A 157
 ZN  A1257 ( 3.2A)
GOL  A1258 (-4.2A)
ZN  A1257 ( 3.3A)
None
None
 1.25A 3wfhA-4bt6A:
undetectable
3wfhB-4bt6A:
undetectable		 3wfhA-4bt6A:
25.82
3wfhB-4bt6A:
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 479
VAL A 482
HIS A 450
PRO A 451
LEU A 465
 None
 1.36A 3wfhA-4wziA:
undetectable
3wfhB-4wziA:
undetectable		 3wfhA-4wziA:
16.21
3wfhB-4wziA:
16.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xi5 FAB-94 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS D  35
VAL D  37
TRP D 111
HIS D 103
TYR D 106
 None
 1.35A 3wfhA-4xi5D:
19.2
3wfhB-4xi5D:
15.2		 3wfhA-4xi5D:
49.38
3wfhB-4xi5D:
25.17
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.
4xuy PROBABLE
ENDO-1,4-BETA-XYLANA
SE C

(Aspergillus
niger) 		PF00331
(Glyco_hydro_10) 		5 HIS A 137
VAL A 133
TRP A 120
HIS A 109
LEU A 117
 None
 1.48A 3wfhA-4xuyA:
undetectable
3wfhB-4xuyA:
undetectable		 3wfhA-4xuyA:
21.89
3wfhB-4xuyA:
23.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yqx JES6-1 VH DOMAIN
JES6-1 VL DOMAIN

(Rattus
norvegicus) 		PF07686
(V-set) 		5 HIS H  38
VAL H  40
TRP H  53
TRP H 114
LEU L  98
 None
 0.61A 3wfhA-4yqxH:
20.9
3wfhB-4yqxH:
15.4		 3wfhA-4yqxH:
56.15
3wfhB-4yqxH:
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 312
HIS A 418
TYR A 460
HIS A 481
TYR A 316
 None
 1.43A 3wfhA-5i68A:
undetectable
3wfhB-5i68A:
undetectable		 3wfhA-5i68A:
16.03
3wfhB-5i68A:
15.76
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 HIS A 479
VAL A 482
HIS A 450
PRO A 451
LEU A 465
 None
 1.26A 3wfhA-5ohjA:
undetectable
3wfhB-5ohjA:
undetectable		 3wfhA-5ohjA:
17.99
3wfhB-5ohjA:
15.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u0u DH270.1 SINGLE-CHAIN
VARIABLE FRAGMENT

(Homo sapiens) 		no annotation 5 HIS G  35
VAL G  37
TRP G  50
TRP G 117
TYR G 111
 None
 1.14A 3wfhA-5u0uG:
20.3
3wfhB-5u0uG:
14.7		 3wfhA-5u0uG:
39.08
3wfhB-5u0uG:
25.19
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.
5w08 K03.12 ANTIBODY
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 HIS G  35
VAL G  37
TRP G  50
TRP G 123
TYR G 118
 None
 1.01A 3wfhA-5w08G:
20.7
3wfhB-5w08G:
16.3		 3wfhA-5w08G:
undetectable
3wfhB-5w08G:
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.
5wb9 N60P23 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 PHE H  33
HIS H  35
VAL H  37
TRP H  50
TRP H 110
 None
 0.58A 3wfhA-5wb9H:
26.2
3wfhB-5wb9H:
19.1		 3wfhA-5wb9H:
23.19
3wfhB-5wb9H:
15.28
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 VAL A1043
HIS A1318
PRO A1319
GLU A1083
LEU A1080
 None
 1.43A 3wfhA-5wblA:
undetectable
3wfhB-5wblA:
undetectable		 3wfhA-5wblA:
18.41
3wfhB-5wblA:
17.73