SIMILAR PATTERNS OF AMINO ACIDS FOR 4W5T_A_IPHA903_0

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.
1b89 PROTEIN (CLATHRIN
HEAVY CHAIN)

(Bos taurus) 		PF00637
(Clathrin) 		4 TYR A1324
LYS A1328
PRO A1329
GLU A1297
 None
 1.26A 4w5tA-1b89A:
0.0		 4w5tA-1b89A:
19.28
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.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		4 LYS A 277
PRO A 278
GLU A 271
TYR A 284
 None
 1.33A 4w5tA-1bxkA:
2.3		 4w5tA-1bxkA:
16.69
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.
1knb ADENOVIRUS TYPE 5
FIBER PROTEIN

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob) 		4 LYS A 528
PRO A 529
GLU A 566
TYR A 563
 None
 0.96A 4w5tA-1knbA:
undetectable		 4w5tA-1knbA:
11.79
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		4 TYR B   1
LYS B  16
PRO B  17
GLU A 267
 None
 1.49A 4w5tA-1lrwB:
undetectable		 4w5tA-1lrwB:
6.91
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		4 TYR B  19
LYS B  16
PRO B  15
GLU A 301
 None
 1.32A 4w5tA-1lrwB:
undetectable		 4w5tA-1lrwB:
6.91
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.
1nub BASEMENT MEMBRANE
PROTEIN BM-40

(Homo sapiens) 		PF00050
(Kazal_1)
PF09289
(FOLN)
PF10591
(SPARC_Ca_bdg) 		4 TYR A 210
LYS A 155
PRO A 213
GLU A 186
 None
 1.48A 4w5tA-1nubA:
0.0		 4w5tA-1nubA:
14.29
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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.40A 4w5tA-1oahA:
0.0		 4w5tA-1oahA:
19.70
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.
1pml TISSUE PLASMINOGEN
ACTIVATOR KRINGLE 2

(Homo sapiens) 		PF00051
(Kringle) 		4 TYR A   2
LYS A  59
GLU A  17
TYR A  74
 None
 1.49A 4w5tA-1pmlA:
undetectable		 4w5tA-1pmlA:
7.13
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.
1qhv PROTEIN (ADENOVIRUS
FIBRE)

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob) 		4 LYS A 528
PRO A 529
GLU A 567
TYR A 564
 None
 1.05A 4w5tA-1qhvA:
undetectable		 4w5tA-1qhvA:
11.73
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.
1qiu ADENOVIRUS FIBRE

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob)
PF00608
(Adeno_shaft) 		4 LYS A 528
PRO A 529
GLU A 567
TYR A 564
 None
 1.06A 4w5tA-1qiuA:
0.0		 4w5tA-1qiuA:
16.19
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 LYS A 313
PRO A 312
GLU A 296
TYR A 316
 None
 1.13A 4w5tA-1upxA:
3.9		 4w5tA-1upxA:
20.32
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 TYR A 178
LYS A 143
PRO A 142
GLU A 147
 None
 1.39A 4w5tA-1v5fA:
2.0		 4w5tA-1v5fA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Methylobacterium
extorquens;
Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		4 TYR B1001
LYS B1016
PRO B1017
GLU A 267
 None
 1.31A 4w5tA-1w6sB:
undetectable		 4w5tA-1w6sB:
6.35
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT
METHANOL
DEHYDROGENASE SMALL
SUBUNIT

(Hyphomicrobium
denitrificans;
Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		4 TYR B   1
LYS B  16
PRO B  17
GLU A 267
 None
 1.33A 4w5tA-2d0vB:
undetectable		 4w5tA-2d0vB:
6.61
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.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 TYR A  24
LYS A  13
PRO A  12
GLU A  27
 None
 1.48A 4w5tA-2qvbA:
2.8		 4w5tA-2qvbA:
16.75
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		4 TYR A 276
LYS A 277
PRO A 278
GLU A 387
 None
MG  A 409 (-2.6A)
None
MG  A 409 ( 4.9A)
 1.38A 4w5tA-3nc3A:
undetectable		 4w5tA-3nc3A:
19.15
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.
3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		4 TYR A  48
PRO A  46
GLU A  73
TYR A  69
 None
 1.49A 4w5tA-3niwA:
2.4		 4w5tA-3niwA:
16.30
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.
3pr1 PROBABLE GTP-BINDING
PROTEIN ENGB

(Thermotoga
maritima) 		PF01926
(MMR_HSR1) 		4 TYR A  18
PRO A  20
GLU A  25
TYR A  71
 None
 1.43A 4w5tA-3pr1A:
3.3		 4w5tA-3pr1A:
12.34
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.
3vx6 E1

(Kluyveromyces
marxianus) 		PF16420
(ATG7_N) 		4 TYR A 134
LYS A 269
PRO A 268
GLU A 259
 None
 1.13A 4w5tA-3vx6A:
undetectable		 4w5tA-3vx6A:
16.41
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 TYR A 181
PRO A 118
GLU A 316
TYR A 372
 None
37B  A 901 ( 4.7A)
ZN  A 908 ( 2.0A)
37B  A 901 (-3.5A)
 1.35A 4w5tA-4qmeA:
3.3		 4w5tA-4qmeA:
21.90
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT
METHANOL
DEHYDROGENASE, SMALL
SUBUNIT

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		no annotation
PF02315
(MDH) 		4 TYR I  23
LYS I  38
PRO I  39
GLU B 295
 None
 1.27A 4w5tA-4tqoI:
undetectable		 4w5tA-4tqoI:
7.05
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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 TYR A 431
LYS A 434
PRO A 435
GLU A 408
 None
 1.22A 4w5tA-4u63A:
3.4		 4w5tA-4u63A:
19.52
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		4 TYR A  44
LYS A 255
PRO A 256
GLU A  33
 EDO  A1562 (-4.5A)
EDO  A1562 (-3.2A)
None
None
 0.76A 4w5tA-5a4jA:
undetectable		 4w5tA-5a4jA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 TYR A 655
LYS A 661
PRO A 662
GLU A 696
TYR A 699
 None
 0.81A 4w5tA-5vm9A:
46.0		 4w5tA-5vm9A:
79.75
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 5 TYR A 654
LYS A 660
PRO A 661
GLU A 695
TYR A 698
 None
None
None
IPH  A 901 (-3.6A)
IPH  A 901 ( 4.9A)
 0.76A 4w5tA-5weaA:
48.7		 4w5tA-5weaA:
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.
5xm3 GLUCOSE
DEHYDROGENASE
METHANOL
DEHYDROGENASE
[CYTOCHROME C]
SUBUNIT 2

(Methylophaga
aminisulfidivorans;
Methylophaga
aminisulfidivorans) 		no annotation
no annotation 		4 TYR B  25
LYS B  40
PRO B  41
GLU A 298
 None
 1.26A 4w5tA-5xm3B:
undetectable		 4w5tA-5xm3B:
undetectable