SIMILAR PATTERNS OF AMINO ACIDS FOR 4FEW_C_KANC301_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		6 ASP A 157
ASP A 159
ASP A 190
ARG A 211
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-2.6A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.33A 4fewC-1nd4A:
32.2
4fewD-1nd4A:
31.8
4fewF-1nd4A:
31.4		 4fewC-1nd4A:
33.94
4fewD-1nd4A:
33.94
4fewF-1nd4A:
33.94
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.
1s3g ADENYLATE KINASE

(Sporosarcina
globispora) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ASP A  18
ASP A  33
ASP A  84
SER A 136
ARG A 123
 None
None
AP5  A 218 ( 4.7A)
AP5  A 218 (-2.8A)
AP5  A 218 (-3.6A)
 1.46A 4fewC-1s3gA:
0.0
4fewD-1s3gA:
0.0
4fewF-1s3gA:
0.0		 4fewC-1s3gA:
22.76
4fewD-1s3gA:
22.76
4fewF-1s3gA:
22.76
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.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 ASP A  61
ARG A 167
CYH A  72
GLU A  62
HIS A 115
 None
None
ZN  A1533 (-2.3A)
None
ZN  A1533 (-3.4A)
 1.28A 4fewC-2yikA:
0.0
4fewD-2yikA:
0.0
4fewF-2yikA:
0.0		 4fewC-2yikA:
17.14
4fewD-2yikA:
17.14
4fewF-2yikA:
17.14
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 GLN A  83
ASP A 357
ASN A  70
SER A  74
ARG A  46
 None
 1.34A 4fewC-3ipoA:
0.0
4fewD-3ipoA:
0.0
4fewF-3ipoA:
0.3		 4fewC-3ipoA:
21.43
4fewD-3ipoA:
21.43
4fewF-3ipoA:
21.43
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ASP A  86
ASP A 132
ARG A 147
ASN A 125
HIS A 151
 None
 1.25A 4fewC-3wxyA:
0.0
4fewD-3wxyA:
0.0
4fewF-3wxyA:
0.0		 4fewC-3wxyA:
19.47
4fewD-3wxyA:
19.47
4fewF-3wxyA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		9 GLN A  35
ASP A 165
ASP A 167
ASP A 198
ARG A 219
ASN A 234
CYH A 235
ASP A 268
GLU A 269
 None
KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.57A 4fewC-4gkhA:
42.3
4fewD-4gkhA:
39.4
4fewF-4gkhA:
38.8		 4fewC-4gkhA:
100.00
4fewD-4gkhA:
100.00
4fewF-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h05 AMINOGLYCOSIDE-O-PHO
SPHOTRANSFERASE VIII

(Streptomyces
rimosus) 		PF01636
(APH) 		5 ASP A 153
ASP A 184
ARG A 207
ASP A 264
GLU A 265
 None
 0.61A 4fewC-4h05A:
30.1
4fewD-4h05A:
29.5
4fewF-4h05A:
29.3		 4fewC-4h05A:
34.03
4fewD-4h05A:
34.03
4fewF-4h05A:
34.03
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.
4n8y PUTATIVE TRAP-TYPE
C4-DICARBOXYLATE
TRANSPORT SYSTEM,
BINDING PERIPLASMIC
PROTEIN (DCTP
SUBUNIT)

(Bradyrhizobium
sp. BTAi1) 		PF03480
(DctP) 		5 ASN A 206
GLU A 233
SER A 229
HIS A 228
ARG A 166
 ADA  A 401 (-2.9A)
GTR  A 402 (-2.8A)
None
None
ADA  A 401 (-3.0A)
 1.35A 4fewC-4n8yA:
0.0
4fewD-4n8yA:
0.1
4fewF-4n8yA:
0.8		 4fewC-4n8yA:
22.06
4fewD-4n8yA:
22.06
4fewF-4n8yA:
22.06