SIMILAR PATTERNS OF AMINO ACIDS FOR 3F8F_A_DM1A127

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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 376
ALA A 379
VAL A 383
ALA A 402
VAL A 347
 None
 1.10A 3f8fA-1bvuA:
0.0
3f8fB-1bvuA:
0.0		 3f8fA-1bvuA:
15.20
3f8fB-1bvuA:
15.20
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.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 377
ALA A 380
VAL A 384
ALA A 403
VAL A 348
 None
 1.04A 3f8fA-1gtmA:
0.0
3f8fB-1gtmA:
0.0		 3f8fA-1gtmA:
15.35
3f8fB-1gtmA:
15.35
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		5 MET A 343
ALA A 345
VAL A 445
ALA A 352
PHE A 356
 None
 1.40A 3f8fA-1ii0A:
0.0
3f8fB-1ii0A:
0.0		 3f8fA-1ii0A:
12.07
3f8fB-1ii0A:
12.07
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.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ALA A 418
ALA A 601
MET A 365
TRP A 349
ASP A 354
 None
 1.23A 3f8fA-1ryyA:
0.0
3f8fB-1ryyA:
0.0		 3f8fA-1ryyA:
11.98
3f8fB-1ryyA:
11.98
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 MET A 644
ALA A 646
ALA A 166
VAL A 143
TRP A 158
 None
 1.38A 3f8fA-2ivfA:
0.0
3f8fB-2ivfA:
0.0		 3f8fA-2ivfA:
8.93
3f8fB-2ivfA:
8.93
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.
2p11 HYPOTHETICAL PROTEIN

(Paraburkholderia
xenovorans) 		no annotation 5 ALA A 100
ALA A  93
PHE A  92
VAL A 137
ASP A  18
 None
None
None
None
GOL  A 232 (-3.7A)
 1.26A 3f8fA-2p11A:
undetectable
3f8fB-2p11A:
undetectable		 3f8fA-2p11A:
20.00
3f8fB-2p11A:
20.00
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 381
ALA A 384
VAL A 388
ALA A 407
VAL A 352
 None
None
None
None
SO4  A1422 (-3.7A)
 0.84A 3f8fA-2yfqA:
0.0
3f8fB-2yfqA:
0.0		 3f8fA-2yfqA:
15.14
3f8fB-2yfqA:
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.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		5 ALA A 191
ALA A 531
MET A 169
VAL A 238
ASP A 158
 None
 1.22A 3f8fA-3be8A:
0.0
3f8fB-3be8A:
0.0		 3f8fA-3be8A:
11.80
3f8fB-3be8A:
11.80
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.
3blz NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Shewanella
baltica) 		PF12893
(Lumazine_bd_2) 		5 MET A  32
ALA A  35
VAL A 116
ALA A  89
PHE A 104
 None
 1.29A 3f8fA-3blzA:
0.0
3f8fB-3blzA:
0.0		 3f8fA-3blzA:
16.06
3f8fB-3blzA:
16.06
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		5 ALA A  47
ALA A 376
PHE A 331
TRP A 377
VAL A 361
 None
 1.34A 3f8fA-3clwA:
undetectable
3f8fB-3clwA:
undetectable		 3f8fA-3clwA:
14.69
3f8fB-3clwA:
14.69
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 410
ALA A 490
PHE A 440
TRP A 417
VAL A 406
 None
None
None
None
NAG  A 740 (-4.1A)
 1.43A 3f8fA-3dkhA:
undetectable
3f8fB-3dkhA:
undetectable		 3f8fA-3dkhA:
10.47
3f8fB-3dkhA:
10.47
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.
3pl5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF02645
(DegV) 		5 ALA A 136
VAL A  23
ALA A  11
VAL A 259
TRP A  17
 None
 1.35A 3f8fA-3pl5A:
undetectable
3f8fB-3pl5A:
undetectable		 3f8fA-3pl5A:
18.44
3f8fB-3pl5A:
18.44
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.
3t9z NITROGEN REGULATORY
PROTEIN P-II
(GLNB-3)

(Archaeoglobus
fulgidus) 		PF00543
(P-II) 		5 ALA A  76
VAL A  78
ALA A   6
PHE A  92
VAL A  65
 None
 1.42A 3f8fA-3t9zA:
undetectable
3f8fB-3t9zA:
undetectable		 3f8fA-3t9zA:
20.14
3f8fB-3t9zA:
20.14
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 MET A 270
ALA A 306
VAL A 397
ALA A 314
TRP A 288
 None
 1.50A 3f8fA-3v4cA:
undetectable
3f8fB-3v4cA:
undetectable		 3f8fA-3v4cA:
12.12
3f8fB-3v4cA:
12.12
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		5 MET A 455
ALA A 539
VAL A 536
ALA A 560
TRP A 477
 None
 1.49A 3f8fA-4fusA:
undetectable
3f8fB-4fusA:
undetectable		 3f8fA-4fusA:
11.00
3f8fB-4fusA:
11.00
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.
4xgi GLUTAMATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 393
ALA A 396
VAL A 400
ALA A 419
VAL A 364
 None
None
None
None
AKG  A 501 ( 4.2A)
 1.16A 3f8fA-4xgiA:
undetectable
3f8fB-4xgiA:
0.8		 3f8fA-4xgiA:
12.96
3f8fB-4xgiA:
12.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzd TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY

(Lactococcus
lactis) 		PF03551
(PadR) 		6 MET A   8
ALA A  11
VAL A  15
ALA A  92
PHE A  93
TRP A  96
 None
RBF  A 201 (-3.6A)
RBF  A 201 (-4.7A)
RBF  A 201 ( 4.5A)
None
RBF  A 201 (-3.2A)
 0.70A 3f8fA-4zzdA:
16.4
3f8fB-4zzdA:
16.3		 3f8fA-4zzdA:
100.00
3f8fB-4zzdA:
100.00
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.
5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 MET A 127
ALA A 124
VAL A 120
ALA A 140
VAL A 215
 None
 1.23A 3f8fA-5lirA:
0.0
3f8fB-5lirA:
undetectable		 3f8fA-5lirA:
20.58
3f8fB-5lirA:
20.58
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 ALA B 298
VAL B 302
ALA B 260
MET B 282
TRP B 294
 None
 1.22A 3f8fA-5ovnB:
0.7
3f8fB-5ovnB:
undetectable		 3f8fA-5ovnB:
24.22
3f8fB-5ovnB:
24.22
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.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		5 ALA A  95
VAL A 120
ALA A 263
VAL A  52
TRP A  39
 None
 0.99A 3f8fA-5w15A:
undetectable
3f8fB-5w15A:
0.2		 3f8fA-5w15A:
16.98
3f8fB-5w15A:
16.98