SIMILAR PATTERNS OF AMINO ACIDS FOR 5KGJ_A_X6XA402_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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		4 TRP A 187
GLU A 231
ASP A 308
TRP A  48
 None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.4A)
None
 0.84A 5kgjA-1a0cA:
0.1		 5kgjA-1a0cA:
21.04
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		4 TRP A 185
GLU A 229
ASP A 306
TRP A  47
 None
MN  A 491 ( 2.4A)
MN  A 492 ( 2.8A)
None
 1.03A 5kgjA-1a0dA:
0.0		 5kgjA-1a0dA:
20.40
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.
1btn BETA-SPECTRIN

(Mus musculus) 		PF15410
(PH_9) 		4 ARG A  79
TRP A  11
GLU A  85
ASP A  68
 None
 1.24A 5kgjA-1btnA:
undetectable		 5kgjA-1btnA:
15.76
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		4 TRP A 193
GLU A 234
ASP A 304
TRP A  48
 RNS  A1462 (-3.2A)
ZN  A 450 ( 2.4A)
MN  A 451 (-2.8A)
RNS  A1462 ( 4.1A)
 0.85A 5kgjA-1de6A:
0.0		 5kgjA-1de6A:
20.18
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.
1gff BACTERIOPHAGE G4
CAPSID PROTEINS GPF,
GPG, GPJ

(Escherichia
virus G4) 		PF02305
(Phage_F) 		4 ARG 1  26
TRP 1 158
GLU 1 154
ASP 1 391
 None
 1.11A 5kgjA-1gff1:
0.0		 5kgjA-1gff1:
19.41
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 ARG A 251
TRP A 250
GLU A 247
ASP A 479
 None
 1.04A 5kgjA-1p22A:
0.0		 5kgjA-1p22A:
20.05
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 ARG A 501
GLU A 471
ASP A 206
TRP A 144
 None
 1.34A 5kgjA-1qxpA:
0.0		 5kgjA-1qxpA:
17.20
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		4 TRP A 126
GLU A 166
ASP A 240
TRP A  14
 UNL  A 337 ( 3.7A)
FE  A 334 (-2.6A)
FE  A 333 (-2.5A)
UNL  A 337 ( 3.9A)
 1.03A 5kgjA-3ktcA:
1.0		 5kgjA-3ktcA:
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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A 188
GLU A 174
ASP A 280
TRP A 278
 None
 0.84A 5kgjA-3s4dA:
0.8		 5kgjA-3s4dA:
15.71
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		4 ARG A  73
TRP A 106
GLU A 221
ASP A 198
 None
 1.29A 5kgjA-4k9sA:
undetectable		 5kgjA-4k9sA:
19.90
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.
4n2z GH62
ARABINOFURANOSIDASE

(Podospora
anserina) 		PF03664
(Glyco_hydro_62) 		4 ARG A 241
GLU A 233
ASP A  49
TRP A 325
 CTR  A 405 (-3.0A)
None
TRS  A 402 (-2.7A)
None
 1.48A 5kgjA-4n2zA:
undetectable		 5kgjA-4n2zA:
20.96
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		4 ARG A 259
GLU A 251
ASP A  55
TRP A 343
 2WS  A 601 (-3.1A)
None
None
None
 1.41A 5kgjA-4pviA:
undetectable		 5kgjA-4pviA:
20.16
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TRP A 190
GLU A 234
ASP A 311
TRP A  51
 None
MN  A 501 (-2.5A)
MN  A 502 (-2.9A)
None
 1.00A 5kgjA-4xkmA:
0.8		 5kgjA-4xkmA:
20.81
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.
5b6t GLYCOSYL HYDROLASE
FAMILY 62 PROTEIN

(Coprinopsis
cinerea) 		PF03664
(Glyco_hydro_62) 		4 ARG A 302
GLU A 294
ASP A 109
TRP A 385
 PB  A 500 ( 4.7A)
None
GOL  A 502 (-2.8A)
None
 1.49A 5kgjA-5b6tA:
undetectable		 5kgjA-5b6tA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kf2 PREDICTED
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00583
(Acetyltransf_1) 		5 ARG A 192
TRP A 193
GLU A 196
ASP A 287
TRP A 288
 None
PO4  A 405 (-3.7A)
None
None
None
 0.11A 5kgjA-5kf2A:
52.2		 5kgjA-5kf2A:
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 4 TRP A 189
GLU A 233
ASP A 310
TRP A  50
 None
FE2  A 501 (-2.2A)
FE2  A 502 ( 3.9A)
None
 1.01A 5kgjA-5nhbA:
0.7		 5kgjA-5nhbA:
20.86