SIMILAR PATTERNS OF AMINO ACIDS FOR 3WHX_B_XPGB301_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.
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
 1.42A 3whxA-1dbrA:
undetectable
3whxB-1dbrA:
undetectable		 3whxA-1dbrA:
17.79
3whxB-1dbrA:
20.25
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A  82
HIS A  97
HIS A 261
TYR A 256
GLU A  93
 None
 1.45A 3whxA-1iy9A:
undetectable
3whxB-1iy9A:
undetectable		 3whxA-1iy9A:
22.56
3whxB-1iy9A:
21.18
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 3whxA-1n4xH:
21.2
3whxB-1n4xH:
15.6		 3whxA-1n4xH:
49.17
3whxB-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 3whxA-1osnA:
undetectable
3whxB-1osnA:
undetectable		 3whxA-1osnA:
20.47
3whxB-1osnA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svz SINGLE-CHAIN FV
FRAGMENT 1696

(Mus musculus) 		PF07686
(V-set) 		5 HIS A 162
VAL A 164
TRP A 177
TRP A 237
GLU A  39
 None
 0.80A 3whxA-1svzA:
16.0
3whxB-1svzA:
23.8		 3whxA-1svzA:
23.77
3whxB-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
 0.87A 3whxA-1svzA:
16.0
3whxB-1svzA:
23.8		 3whxA-1svzA:
23.77
3whxB-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
 1.30A 3whxA-1xj5A:
undetectable
3whxB-1xj5A:
undetectable		 3whxA-1xj5A:
19.41
3whxB-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
 0.67A 3whxA-2d7tH:
22.1
3whxB-2d7tH:
15.5		 3whxA-2d7tH:
37.61
3whxB-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
 1.40A 3whxA-2dwcA:
undetectable
3whxB-2dwcA:
2.2		 3whxA-2dwcA:
19.49
3whxB-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
 1.31A 3whxA-2qykA:
undetectable
3whxB-2qykA:
undetectable		 3whxA-2qykA:
22.59
3whxB-2qykA:
20.47
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 HIS A 143
VAL A 133
HIS A 189
TYR A 225
LEU A 220
 None
None
PLP  A 410 (-4.4A)
PLP  A 410 (-4.1A)
None
 1.48A 3whxA-3aatA:
undetectable
3whxB-3aatA:
undetectable		 3whxA-3aatA:
18.72
3whxB-3aatA:
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.
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
 1.30A 3whxA-3g4gA:
undetectable
3whxB-3g4gA:
undetectable		 3whxA-3g4gA:
18.98
3whxB-3g4gA:
20.42
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 3whxA-3mnzB:
26.2
3whxB-3mnzB:
18.9		 3whxA-3mnzB:
56.31
3whxB-3mnzB:
29.11
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
 0.85A 3whxA-3mnzB:
26.2
3whxB-3mnzB:
18.9		 3whxA-3mnzB:
56.31
3whxB-3mnzB:
29.11
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.
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
 1.31A 3whxA-3o57A:
undetectable
3whxB-3o57A:
undetectable		 3whxA-3o57A:
18.91
3whxB-3o57A:
20.66
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
 1.14A 3whxA-3s35H:
28.0
3whxB-3s35H:
18.7		 3whxA-3s35H:
88.94
3whxB-3s35H:
26.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfh MAB FAB H FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		8 PHE A  33
HIS A  35
VAL A  37
TRP A  50
HIS A  99
TYR A 101
PRO A 105
TRP A 107
 None
 0.10A 3whxA-3wfhA:
31.4
3whxB-3wfhA:
19.1		 3whxA-3wfhA:
100.00
3whxB-3wfhA:
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.
4mdk UBIQUITIN-CONJUGATIN
G ENZYME E2 R1

(Homo sapiens) 		PF00179
(UQ_con) 		5 PHE A  58
VAL A  30
TYR A  53
HIS A  83
LEU A 124
 U94  A 201 (-4.2A)
None
U94  A 201 (-4.0A)
None
None
 1.46A 3whxA-4mdkA:
undetectable
3whxB-4mdkA:
undetectable		 3whxA-4mdkA:
21.24
3whxB-4mdkA:
21.97
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
 1.35A 3whxA-4wziA:
undetectable
3whxB-4wziA:
undetectable		 3whxA-4wziA:
16.69
3whxB-4wziA:
16.39
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
 1.36A 3whxA-4xi5D:
19.2
3whxB-4xi5D:
15.3		 3whxA-4xi5D:
49.18
3whxB-4xi5D:
27.56
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.
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
 1.49A 3whxA-4xuyA:
undetectable
3whxB-4xuyA:
undetectable		 3whxA-4xuyA:
21.50
3whxB-4xuyA:
23.99
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
 0.63A 3whxA-4yqxH:
21.0
3whxB-4yqxH:
15.4		 3whxA-4yqxH:
56.15
3whxB-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.
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
 1.25A 3whxA-5ohjA:
undetectable
3whxB-5ohjA:
undetectable		 3whxA-5ohjA:
17.99
3whxB-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
 1.10A 3whxA-5u0uG:
20.3
3whxB-5u0uG:
14.7		 3whxA-5u0uG:
38.49
3whxB-5u0uG:
25.09
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
 0.61A 3whxA-5wb9H:
26.3
3whxB-5wb9H:
19.1		 3whxA-5wb9H:
23.19
3whxB-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
 1.48A 3whxA-5wblA:
undetectable
3whxB-5wblA:
undetectable		 3whxA-5wblA:
18.41
3whxB-5wblA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
8fab IGG1-LAMBDA HIL FAB
(HEAVY CHAIN)
IGG1-LAMBDA HIL FAB
(LIGHT CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE B 106
HIS B  35
TRP B  47
PRO B 100
TYR A  33
 None
 1.48A 3whxA-8fabB:
24.0
3whxB-8fabB:
17.8		 3whxA-8fabB:
53.12
3whxB-8fabB:
28.63