SIMILAR PATTERNS OF AMINO ACIDS FOR 4UCI_A_SAMA2409_1

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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 323
ASP A 221
ASP A 234
ASP A 243
 PGD  A 783 (-2.6A)
PGD  A 783 (-2.9A)
None
PGD  A 783 (-2.8A)
 1.35A 4uciA-1dmsA:
2.5		 4uciA-1dmsA:
17.96
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 SER A  81
ASP A 144
ASP A 207
ASP A 128
 None
 1.25A 4uciA-1pe9A:
0.0		 4uciA-1pe9A:
21.40
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 SER A 241
ASP A 220
ASP A 196
ASP A 215
 NDP  A 350 (-2.6A)
None
None
None
 1.36A 4uciA-1qorA:
0.6		 4uciA-1qorA:
20.57
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.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		4 SER B 117
ASP B 111
ASP B 150
ASP B 154
 None
 1.49A 4uciA-1y43B:
undetectable		 4uciA-1y43B:
16.67
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 SER A 249
ASP A  51
ASP A  81
ASP A  55
 None
None
None
ZN  A 418 ( 2.2A)
 1.32A 4uciA-2ragA:
0.0		 4uciA-2ragA:
21.55
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.
2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF01259
(SAICAR_synt) 		4 SER A  60
ASP A 198
ASP A 135
ASP A 203
 None
ATP  A1527 (-4.3A)
None
None
 1.40A 4uciA-2z02A:
undetectable		 4uciA-2z02A:
20.44
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.
3or2 SULFITE REDCUTASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 SER B 290
ASP B 339
ASP B 330
ASP B 200
 SRM  B 581 (-2.5A)
None
None
None
 1.45A 4uciA-3or2B:
0.2		 4uciA-3or2B:
22.70
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		4 SER A  38
ASP A  86
ASP A 183
ASP A 206
 None
 1.38A 4uciA-3pieA:
1.2		 4uciA-3pieA:
17.13
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.
4ok0 PUTATIVE

(Helicobacter
pylori) 		PF08843
(AbiEii) 		4 SER A  53
ASP A 162
ASP A 141
ASP A  57
 None
 1.14A 4uciA-4ok0A:
0.0		 4uciA-4ok0A:
24.23
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.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Rattus
norvegicus;
Lobophyllia
hemprichii) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 SER A 386
ASP A 200
ASP A 163
ASP A  79
 None
 1.39A 4uciA-4oy4A:
undetectable		 4uciA-4oy4A:
21.88
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		4 SER A 155
ASP A 186
ASP A 243
ASP A 298
 None
BGC  A 402 (-2.7A)
None
BGC  A 402 (-2.7A)
 1.48A 4uciA-4rxuA:
1.5		 4uciA-4rxuA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 4 SER A1668
ASP A1725
ASP A1755
ASP A1779
 None
 0.58A 4uciA-4uclA:
58.4		 4uciA-4uclA:
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.
5mqc VP1
VP3

(Black queen
cell virus;
Black queen
cell virus) 		PF08762
(CRPV_capsid)
no annotation 		4 SER C 258
ASP A 278
ASP C 101
ASP A  80
 None
 1.48A 4uciA-5mqcC:
undetectable		 4uciA-5mqcC:
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.
5wqk SULFURTRANSFERASE

(Mus musculus) 		PF00581
(Rhodanese) 		4 SER A  66
ASP A 273
ASP A 182
ASP A  73
 None
NA  A 302 (-3.1A)
None
7NC  A 301 ( 3.6A)
 1.11A 4uciA-5wqkA:
undetectable		 4uciA-5wqkA:
21.36
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 4 SER A 270
ASP A 239
ASP A 310
ASP A 246
 None
CA  A 717 (-3.1A)
None
None
 1.25A 4uciA-5ww1A:
undetectable		 4uciA-5ww1A:
undetectable