SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKI_I_KANI301_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)
 0.29A 4gkiI-1nd4A:
32.2
4gkiJ-1nd4A:
31.7		 4gkiI-1nd4A:
33.94
4gkiJ-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.
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)
 1.29A 4gkiI-2yikA:
0.0
4gkiJ-2yikA:
0.0		 4gkiI-2yikA:
17.14
4gkiJ-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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 GLN A 484
ASP A 884
ASN A 544
ASP A 541
SER A 558
 None
None
SO4  A2077 ( 4.7A)
CA  A2072 (-3.4A)
None
 1.41A 4gkiI-2yocA:
0.0
4gkiJ-2yocA:
0.0		 4gkiI-2yocA:
12.06
4gkiJ-2yocA:
12.06
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)
 0.09A 4gkiI-4gkhA:
43.0
4gkiJ-4gkhA:
39.6		 4gkiI-4gkhA:
100.00
4gkiJ-4gkhA:
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 ASP A1343
ASP A1485
ASN A1447
SER A1297
HIS A1329
 None
 1.39A 4gkiI-4guaA:
0.2
4gkiJ-4guaA:
0.3		 4gkiI-4guaA:
19.58
4gkiJ-4guaA:
19.58
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 ASN A 305
CYH A 306
ASP A 302
SER A 298
HIS A 297
 EDO  A 820 ( 3.1A)
HEC  A 805 (-1.7A)
None
HEC  A 805 ( 4.5A)
HEC  A 805 (-3.2A)
 1.49A 4gkiI-4lm8A:
0.2
4gkiJ-4lm8A:
0.0		 4gkiI-4lm8A:
16.91
4gkiJ-4lm8A:
16.91