SIMILAR PATTERNS OF AMINO ACIDS FOR 3IJD_B_C2FB315_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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		5 THR A 151
ILE A  33
ARG A  30
THR A 149
VAL A   4
 None
 1.47A 3ijdB-1snzA:
undetectable		 3ijdB-1snzA:
20.27
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 THR A 166
ILE A 234
THR A 168
PHE A 149
LYS A 230
 None
 1.46A 3ijdB-2fknA:
0.0		 3ijdB-2fknA:
19.01
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.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		5 THR A 190
ARG A 168
ILE A 219
PHE A 223
VAL A 101
 None
 1.39A 3ijdB-2ob1A:
0.7		 3ijdB-2ob1A:
24.53
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 LYS A 257
LYS A 371
ILE A 261
ARG A 281
THR A 255
 None
 1.29A 3ijdB-2zu8A:
0.6		 3ijdB-2zu8A:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ijd UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF02219
(MTHFR) 		10 THR A  19
LYS A  22
LYS A  29
ILE A  33
ILE A  70
THR A  72
LYS A 223
PHE A 227
VAL A 284
LYS A 286
 C2F  A 314 ( 3.8A)
C2F  A 315 (-2.6A)
C2F  A 315 (-3.4A)
C2F  A 315 (-3.8A)
C2F  A 315 ( 4.8A)
C2F  A 315 (-4.5A)
C2F  A 315 ( 4.5A)
C2F  A 315 (-3.7A)
C2F  A 315 (-4.1A)
None
 0.66A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ijd UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF02219
(MTHFR) 		9 THR A  19
LYS A  29
ILE A  33
ARG A  40
ILE A  70
THR A  72
PHE A 227
VAL A 284
LYS A 286
 C2F  A 314 ( 3.8A)
C2F  A 315 (-3.4A)
C2F  A 315 (-3.8A)
C2F  A 315 (-3.4A)
C2F  A 315 ( 4.8A)
C2F  A 315 (-4.5A)
C2F  A 315 (-3.7A)
C2F  A 315 (-4.1A)
None
 0.54A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
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.
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 234
ARG A 232
THR A 247
LYS A 163
VAL A 177
 None
 1.50A 3ijdB-3pfdA:
0.0		 3ijdB-3pfdA:
19.26
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.
4ac3 BIFUNCTIONAL PROTEIN
GLMU

(Streptococcus
pneumoniae) 		PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF14602
(Hexapep_2) 		5 THR A 383
ILE A 396
THR A 394
PHE A 377
VAL A 349
 None
 1.19A 3ijdB-4ac3A:
0.0		 3ijdB-4ac3A:
22.44
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.
4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 ILE A 647
ARG A 559
ILE A 631
THR A 630
VAL A 640
 None
 1.38A 3ijdB-4ay2A:
0.0		 3ijdB-4ay2A:
20.12
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.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		5 LYS A 216
ILE A  80
THR A  86
VAL A  34
LYS A  32
 None
 1.41A 3ijdB-4k8lA:
0.0		 3ijdB-4k8lA:
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF07504
(FTP) 		5 THR B 160
ILE B 236
ILE B 219
THR B 217
VAL B  32
 None
 1.37A 3ijdB-4k90B:
undetectable		 3ijdB-4k90B:
22.39
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.
4npl RNA DEMETHYLASE
ALKBH5

(Danio rerio) 		PF13532
(2OG-FeII_Oxy_2) 		5 ILE A 212
ARG A  61
ILE A  20
THR A 185
PHE A 159
 AKG  A 301 (-4.9A)
None
None
None
None
 1.44A 3ijdB-4nplA:
undetectable		 3ijdB-4nplA:
20.17
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.
4nrq RNA DEMETHYLASE
ALKBH5

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		5 ILE A 281
ARG A 130
ILE A  89
THR A 254
PHE A 228
 None
 1.28A 3ijdB-4nrqA:
undetectable		 3ijdB-4nrqA:
20.45
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE A 749
THR A 753
LYS A 664
PHE A 666
LYS A 655
 None
 1.29A 3ijdB-4qiwA:
undetectable		 3ijdB-4qiwA:
15.92
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.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 5 THR B 342
LYS B 212
ILE B 215
ARG B 330
VAL B 325
 None
 1.16A 3ijdB-5ivlB:
undetectable		 3ijdB-5ivlB:
22.62
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.
5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Haemophilus
influenzae) 		PF02219
(MTHFR) 		5 THR A  57
ILE A  71
THR A  68
VAL A  54
LYS A  52
 FAD  A 300 (-4.4A)
None
None
None
None
 1.30A 3ijdB-5umeA:
12.6		 3ijdB-5umeA:
24.93