SIMILAR PATTERNS OF AMINO ACIDS FOR 4DFB_B_KANB401

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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A  84
ASP A 120
HIS A 117
ASP A  41
GLU A 130
 ZN  A 601 (-2.7A)
None
CO3  A 602 (-3.8A)
ZN  A 600 (-3.1A)
None
 1.48A 4dfbB-1hp1A:
0.0		 4dfbB-1hp1A:
20.65
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.
1k26 NUDIX HOMOLOG

(Pyrobaculum
aerophilum) 		PF00293
(NUDIX) 		5 ASP A  93
SER A   5
GLU A  45
GLU A  49
GLU A  33
 GOL  A 209 (-4.2A)
GOL  A 209 ( 4.2A)
None
GOL  A 211 (-3.7A)
None
 1.19A 4dfbB-1k26A:
0.0		 4dfbB-1k26A:
19.50
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.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		5 ASP A  43
SER A  41
ASP A  62
HIS A  42
GLU A 200
 None
 1.30A 4dfbB-1xqwA:
undetectable		 4dfbB-1xqwA:
22.35
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 764
ASP A 654
HIS A 653
GLU A 785
GLU A 682
 None
 0.89A 4dfbB-3b2rA:
1.0		 4dfbB-3b2rA:
23.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		7 ASP A 197
SER A 199
HIS A 202
ASP A 220
GLU A 239
GLU A 268
TRP A 271
 None
 0.72A 4dfbB-3n4tA:
42.8		 4dfbB-3n4tA:
93.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		6 ASP A 197
SER A 199
HIS A 202
GLU A 238
GLU A 239
GLU A 268
 None
 0.95A 4dfbB-3n4tA:
42.8		 4dfbB-3n4tA:
93.48
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.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 ASP A 287
SER A 238
HIS A 274
ASP A 223
GLU A 265
 None
None
None
UNL  A 401 ( 2.9A)
None
 1.48A 4dfbB-4fuuA:
0.1		 4dfbB-4fuuA:
20.93
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.
4pv6 N-TERMINAL
ACETYLTRANSFERASE
COMPLEX SUBUNIT
[ARD1]

(Thermoplasma
volcanium) 		no annotation 5 ASP C 118
SER C 145
ASP C 143
GLU C  34
GLU C 114
 None
 1.45A 4dfbB-4pv6C:
0.0		 4dfbB-4pv6C:
18.40
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.
4qik ROQUIN-1

(Homo sapiens) 		no annotation 5 SER A 304
ASP A 310
HIS A 313
ASP A 284
TRP A 184
 None
None
None
None
CL  A 501 (-4.8A)
 1.48A 4dfbB-4qikA:
0.5		 4dfbB-4qikA:
17.65
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.
4z31 ROQUIN-2

(Homo sapiens) 		no annotation 5 SER A 301
ASP A 307
HIS A 310
ASP A 281
TRP A 181
 None
 1.44A 4dfbB-4z31A:
0.3		 4dfbB-4z31A:
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 ASP A   7
SER A 178
GLU A  80
GLU A  82
GLU A 108
 None
 1.25A 4dfbB-5n6uA:
1.0		 4dfbB-5n6uA:
18.12
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 7 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 416
GLU A 445
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
None
 0.75A 4dfbB-6ceyA:
31.0		 4dfbB-6ceyA:
13.65
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 SER A 376
GLU A 411
GLU A 415
GLU A 416
GLU A 445
 None
 1.06A 4dfbB-6ceyA:
31.0		 4dfbB-6ceyA:
13.65