SIMILAR PATTERNS OF AMINO ACIDS FOR 3IJD_A_C2FA315_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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		5 THR A  60
ILE A  30
THR A  64
VAL A  79
ILE A  83
 FES  A 585 ( 4.2A)
None
None
None
None
 1.25A 3ijdA-1fehA:
0.0		 3ijdA-1fehA:
21.32
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		5 THR A 318
LYS A 314
THR A 315
VAL A  43
ILE A 294
 None
 1.46A 3ijdA-1j3bA:
0.0		 3ijdA-1j3bA:
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.
1yht DSPB

(Aggregatibacter
actinomycetemcomitans) 		PF00728
(Glyco_hydro_20) 		5 THR A 357
THR A  19
VAL A 298
LYS A 296
ILE A 299
 None
 1.45A 3ijdA-1yhtA:
9.8		 3ijdA-1yhtA:
24.11
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 302
ILE A 335
ARG A 371
THR A 306
VAL A 331
 None
 1.32A 3ijdA-2pgwA:
5.8		 3ijdA-2pgwA:
23.33
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.
2y4o PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		5 THR A 296
THR A 116
PHE A 269
VAL A 302
ILE A 303
 None
 1.48A 3ijdA-2y4oA:
1.0		 3ijdA-2y4oA:
21.44
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 THR A 168
ILE A 154
VAL A 185
LYS A 208
ILE A 207
 None
 1.40A 3ijdA-2z87A:
1.7		 3ijdA-2z87A:
19.02
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.
3daf 5,10-METHENYLTETRAHY
DROMETHANOPTERIN
HYDROGENASE

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 THR A 147
ILE A 171
PHE A 162
LYS A   1
ILE A   3
 None
 1.39A 3ijdA-3dafA:
0.0		 3ijdA-3dafA:
22.70
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) 		11 THR A  19
LYS A  22
LYS A  29
ILE A  33
ARG A  40
THR A  72
LYS A 223
PHE A 227
VAL A 284
LYS A 286
ILE A 289
 C2F  A 314 ( 3.8A)
C2F  A 315 (-2.6A)
C2F  A 315 (-3.4A)
C2F  A 315 (-3.8A)
C2F  A 315 (-3.4A)
C2F  A 315 (-4.5A)
C2F  A 315 ( 4.5A)
C2F  A 315 (-3.7A)
C2F  A 315 (-4.1A)
None
C2F  A 315 (-4.5A)
 0.00A 3ijdA-3ijdA:
52.9		 3ijdA-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.
3lpn RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermoplasma
volcanium) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ARG A  95
THR A  56
LYS A 133
PHE A 136
ILE A 102
 None
 1.39A 3ijdA-3lpnA:
1.3		 3ijdA-3lpnA:
21.70
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.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		5 THR A 548
ILE A 553
THR A 567
PHE A 322
ILE A 289
 None
 1.38A 3ijdA-3lxqA:
undetectable		 3ijdA-3lxqA:
21.58
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.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A  43
THR A 118
PHE A  99
VAL A 133
ILE A 111
 None
 1.36A 3ijdA-3vpxA:
undetectable		 3ijdA-3vpxA:
21.48
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.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Chlamydia
trachomatis) 		PF13561
(adh_short_C2) 		5 THR A 278
ILE A 174
ARG A 217
THR A 177
ILE A 274
 None
 1.30A 3ijdA-4q9nA:
undetectable		 3ijdA-4q9nA:
21.08
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.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		5 LYS A  41
ILE A  62
LYS A 361
PHE A 295
ILE A  35
 None
 1.45A 3ijdA-4r7fA:
undetectable		 3ijdA-4r7fA:
22.04
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.
5igq E3 UBIQUITIN-PROTEIN
LIGASE RFWD2

(Homo sapiens) 		PF00400
(WD40) 		5 THR A 410
ILE A 717
THR A 724
VAL A 453
ILE A 454
 None
 1.40A 3ijdA-5igqA:
undetectable		 3ijdA-5igqA:
22.63
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
 1.26A 3ijdA-5ivlB:
undetectable		 3ijdA-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.
5mrv CARBOXYPEPTIDASE O

(Homo sapiens) 		no annotation 5 ILE A  81
PHE A  97
VAL A 126
LYS A  69
ILE A  70
 None
 1.47A 3ijdA-5mrvA:
undetectable		 3ijdA-5mrvA:
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.
5zm4 DIOXYGENASE ANDA

(Aspergillus
stellatus) 		no annotation 5 THR A 160
ILE A  47
PHE A 166
VAL A 201
ILE A  39
 None
 1.44A 3ijdA-5zm4A:
undetectable		 3ijdA-5zm4A:
undetectable