SIMILAR PATTERNS OF AMINO ACIDS FOR 5ODC_A_ACTA703

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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLN A  39
GLN A  42
PRO A  45
ALA A  43
 None
 0.98A 5odcA-1t4bA:
2.2
5odcG-1t4bA:
2.3		 5odcA-1t4bA:
19.42
5odcG-1t4bA:
19.42
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.
2d5i AZO REDUCTASE

(Escherichia
coli) 		PF02525
(Flavodoxin_2) 		4 GLN A  16
GLN A 187
PRO A 180
ALA A 184
 None
 1.28A 5odcA-2d5iA:
2.6
5odcG-2d5iA:
2.2		 5odcA-2d5iA:
15.77
5odcG-2d5iA:
15.77
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLN A 425
GLN A 455
PRO A 401
ALA A 399
 None
 1.46A 5odcA-2ihtA:
1.4
5odcG-2ihtA:
2.2		 5odcA-2ihtA:
22.78
5odcG-2ihtA:
22.78
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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 GLN A 241
GLN A 216
PRO A 238
ALA A 215
 None
 0.98A 5odcA-2qk4A:
4.4
5odcG-2qk4A:
4.8		 5odcA-2qk4A:
22.86
5odcG-2qk4A:
22.86
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.
2xd4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Bacillus
subtilis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 GLN A 236
GLN A 211
PRO A 233
ALA A 210
 None
 1.05A 5odcA-2xd4A:
0.0
5odcG-2xd4A:
0.0		 5odcA-2xd4A:
23.24
5odcG-2xd4A:
23.24
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 GLN A 240
GLN A 280
PRO A  34
ALA A 238
 None
 1.39A 5odcA-3bryA:
undetectable
5odcG-3bryA:
undetectable		 5odcA-3bryA:
20.66
5odcG-3bryA:
20.66
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 GLN 1 420
GLN 1 288
PRO 1 301
ALA 1 289
 None
 1.47A 5odcA-3i9v1:
2.0
5odcG-3i9v1:
1.3		 5odcA-3i9v1:
23.69
5odcG-3i9v1:
23.69
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 GLN A 190
GLN A 198
PRO A 187
ALA A 199
 None
 1.40A 5odcA-3kl7A:
2.2
5odcG-3kl7A:
2.4		 5odcA-3kl7A:
16.64
5odcG-3kl7A:
16.64
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.
3n9i TRYPTOPHANYL-TRNA
SYNTHETASE

(Yersinia pestis) 		PF00579
(tRNA-synt_1b) 		4 GLN A 268
GLN A 276
PRO A 271
ALA A 275
 None
 1.37A 5odcA-3n9iA:
0.6
5odcG-3n9iA:
0.8		 5odcA-3n9iA:
17.92
5odcG-3n9iA:
17.92
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.
3t6q CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86

(Mus musculus;
Mus musculus) 		PF13855
(LRR_8)
PF02221
(E1_DerP2_DerF2) 		4 GLN C 119
GLN A 134
PRO A 112
ALA A 110
 None
 1.48A 5odcA-3t6qC:
undetectable
5odcG-3t6qC:
undetectable		 5odcA-3t6qC:
12.15
5odcG-3t6qC:
12.15
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLN A 699
GLN A 643
PRO A 588
ALA A 644
 None
 1.41A 5odcA-4bp8A:
4.1
5odcG-4bp8A:
undetectable		 5odcA-4bp8A:
22.08
5odcG-4bp8A:
22.08
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 GLN A 255
GLN A 151
PRO A 193
ALA A 153
 None
 1.20A 5odcA-4dykA:
0.8
5odcG-4dykA:
0.8		 5odcA-4dykA:
22.47
5odcG-4dykA:
22.47
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.
4kds PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Oncorhynchus
mykiss) 		PF00079
(Serpin) 		4 GLN A   6
GLN A   9
PRO A  33
ALA A  37
 None
 1.49A 5odcA-4kdsA:
undetectable
5odcG-4kdsA:
undetectable		 5odcA-4kdsA:
18.59
5odcG-4kdsA:
18.59
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.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		4 GLN A 302
GLN A 330
PRO A 328
ALA A 333
 None
 1.42A 5odcA-4rdcA:
7.3
5odcG-4rdcA:
5.2		 5odcA-4rdcA:
19.67
5odcG-4rdcA:
19.67
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 GLN A 257
GLN A 159
PRO A 263
ALA A 161
 NAD  A 901 (-3.7A)
None
None
None
 1.34A 5odcA-5jydA:
1.8
5odcG-5jydA:
4.2		 5odcA-5jydA:
19.05
5odcG-5jydA:
19.05
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.
5mpq TRANSGLYCOSYLASE

(Neisseria
meningitidis) 		PF01464
(SLT)
PF14718
(SLT_L) 		4 GLN A 517
GLN A 538
PRO A 542
ALA A 539
 None
 1.12A 5odcA-5mpqA:
undetectable
5odcG-5mpqA:
undetectable		 5odcA-5mpqA:
22.55
5odcG-5mpqA:
22.55
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A 269
GLN A 289
PRO A 248
ALA A 263
 None
 1.31A 5odcA-5vm1A:
undetectable
5odcG-5vm1A:
undetectable		 5odcA-5vm1A:
22.52
5odcG-5vm1A:
22.52
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.
5zc3 -

(-) 		no annotation 4 GLN B 479
GLN B 440
PRO B 472
ALA B 420
 None
 1.44A 5odcA-5zc3B:
undetectable
5odcG-5zc3B:
undetectable		 5odcA-5zc3B:
undetectable
5odcG-5zc3B:
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1

(Escherichia
coli;
Homo sapiens) 		no annotation 4 GLN A  72
GLN A1259
PRO A1211
ALA A1186
 SO4  A1403 (-3.1A)
None
None
None
 1.49A 5odcA-6apxA:
undetectable
5odcG-6apxA:
2.1		 5odcA-6apxA:
22.79
5odcG-6apxA:
22.79
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.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 GLN C 148
GLN C 434
PRO C 159
ALA C 156
 None
 1.45A 5odcA-6fkhC:
undetectable
5odcG-6fkhC:
undetectable		 5odcA-6fkhC:
undetectable
5odcG-6fkhC:
undetectable