SIMILAR PATTERNS OF AMINO ACIDS FOR 6DK1_A_GM4A301_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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 VAL A 404
ALA A 451
TRP A 453
TYR A 470
LEU A 474
 None
 1.30A 6dk1A-1suvA:
0.0		 6dk1A-1suvA:
16.20
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 VAL A 392
ALA A 495
ASP A 607
GLU A 606
ALA A 541
 None
 1.20A 6dk1A-1ut9A:
undetectable		 6dk1A-1ut9A:
15.50
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.
2cbz MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF00005
(ABC_tran) 		5 VAL A 740
MET A 816
TYR A 789
LEU A 817
ALA A 779
 None
 1.49A 6dk1A-2cbzA:
0.0		 6dk1A-2cbzA:
22.35
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		5 VAL A  99
ALA A  58
LEU A  92
ASP A 109
ALA A  54
 None
 1.15A 6dk1A-2dqwA:
0.0		 6dk1A-2dqwA:
21.93
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.
2vqx METALLOPROTEINASE

(Serratia
proteamaculans) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
PF16485
(PLN_propep) 		5 VAL A 340
ALA A 312
TRP A 335
MET A 250
ALA A 309
 None
 1.47A 6dk1A-2vqxA:
0.0		 6dk1A-2vqxA:
21.43
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.
3dde TENA/THI-4 PROTEIN,
DOMAIN OF UNKNOWN
FUNCTION WITH A HEME
OXYGENASE-LIKE FOLD

(Shewanella
denitrificans) 		PF14518
(Haem_oxygenas_2) 		5 VAL A 142
ALA A 139
TRP A 138
TYR A  43
TYR A  50
 None
 1.27A 6dk1A-3ddeA:
0.0		 6dk1A-3ddeA:
23.22
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.
3dgt ENDO-1,3-BETA-GLUCAN
ASE

(Streptomyces
sioyaensis) 		PF00722
(Glyco_hydro_16) 		5 LEU A 126
ASP A 144
TRP A 120
GLU A 142
ALA A  42
 None
 1.24A 6dk1A-3dgtA:
0.1		 6dk1A-3dgtA:
20.69
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.
3drk OLIGOPEPTIDE-BINDING
PROTEIN OPPA

(Lactococcus
lactis) 		PF00496
(SBP_bac_5) 		5 ALA A 384
TYR A 307
LEU A 327
TYR A 376
ALA A 339
 None
 1.28A 6dk1A-3drkA:
0.0		 6dk1A-3drkA:
16.50
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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 VAL A  69
ALA A  73
MET A  65
ASP A 254
ALA A  98
 None
 1.34A 6dk1A-3go4A:
0.0		 6dk1A-3go4A:
19.93
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		5 ALA A 330
TRP A 339
LEU A  18
ASP A  11
ALA A 326
 None
 1.13A 6dk1A-3gt5A:
undetectable		 6dk1A-3gt5A:
19.36
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 VAL A 273
ALA A 269
MET A  81
TYR A 263
ALA A 266
 None
 1.45A 6dk1A-3hn0A:
undetectable		 6dk1A-3hn0A:
23.71
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.
3kg9 CURK

(Lyngbya
majuscula) 		PF14765
(PS-DH) 		5 VAL A1211
ALA A1144
LEU A1238
ASP A1169
ALA A1178
 None
 1.40A 6dk1A-3kg9A:
undetectable		 6dk1A-3kg9A:
19.93
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 VAL A 133
TYR A 352
LEU A 349
TYR A  62
ALA A 322
 None
 1.29A 6dk1A-3lopA:
undetectable		 6dk1A-3lopA:
20.11
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 VAL A 210
ALA A 240
MET A 202
LEU A 199
ALA A 212
 None
 1.39A 6dk1A-4e3aA:
undetectable		 6dk1A-4e3aA:
19.94
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 VAL A 210
MET A 202
TYR A 221
LEU A 199
ALA A 212
 None
 1.42A 6dk1A-4e3aA:
undetectable		 6dk1A-4e3aA:
19.94
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ALA A  37
TYR A 139
TYR A  98
GLU A 232
ALA A  91
 None
 1.49A 6dk1A-4mniA:
undetectable		 6dk1A-4mniA:
20.11
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.
4qpc 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE

(Danio rerio) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 ALA A 267
TRP A 213
TYR A 306
LEU A 293
ALA A 271
 None
 1.38A 6dk1A-4qpcA:
undetectable		 6dk1A-4qpcA:
22.51
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 ALA A 592
LEU A 715
TYR A   3
TRP A  16
ALA A 594
 None
 1.23A 6dk1A-5ah5A:
undetectable		 6dk1A-5ah5A:
14.39
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 VAL A 213
ALA A  37
LEU A 237
ASP A 217
ALA A 207
 None
 1.03A 6dk1A-5d3mA:
undetectable		 6dk1A-5d3mA:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		9 VAL A  84
ALA A  86
TRP A  89
MET A  93
TYR A 103
LEU A 105
TRP A 164
GLU A 172
ALA A 185
 61V  A 301 (-4.5A)
None
None
61V  A 301 (-3.4A)
61V  A 301 ( 4.3A)
None
None
61V  A 301 (-2.9A)
61V  A 301 ( 4.2A)
 0.74A 6dk1A-5hk2A:
34.1		 6dk1A-5hk2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		10 VAL A  84
ALA A  86
TRP A  89
MET A  93
TYR A 103
LEU A 105
TYR A 120
ASP A 126
TRP A 164
GLU A 172
 61V  A 301 (-4.5A)
None
None
61V  A 301 (-3.4A)
61V  A 301 ( 4.3A)
None
None
61V  A 301 (-3.2A)
None
61V  A 301 (-2.9A)
 0.64A 6dk1A-5hk2A:
34.1		 6dk1A-5hk2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		5 VAL A  84
LEU A 105
ASP A 126
GLU A 172
ALA A  86
 61V  A 301 (-4.5A)
None
61V  A 301 (-3.2A)
61V  A 301 (-2.9A)
None
 1.49A 6dk1A-5hk2A:
34.1		 6dk1A-5hk2A:
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.
5o16 AMBC

(Sorangium
cellulosum) 		no annotation 5 VAL A 259
ALA A 217
LEU A 270
TRP A 242
ALA A 220
 None
 1.31A 6dk1A-5o16A:
undetectable		 6dk1A-5o16A:
24.61
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 VAL A 711
ALA A 715
LEU A 731
ASP A 805
ALA A 726
 None
 1.32A 6dk1A-5ux5A:
undetectable		 6dk1A-5ux5A:
12.10