SIMILAR PATTERNS OF AMINO ACIDS FOR 1M4I_B_KANB501_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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ASP A 417
GLY A 235
SER A 158
ASP A  86
THR A 156
 None
 1.41A 1m4iB-1ig8A:
0.0		 1m4iB-1ig8A:
16.91
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.
1t8b PHOSPHATE TRANSPORT
SYSTEM PROTEIN PHOU
HOMOLOG

(Aquifex
aeolicus) 		PF01895
(PhoU) 		5 ASP A  93
GLY A  98
SER A 137
ASP A 156
ASP A 199
 None
 1.45A 1m4iB-1t8bA:
undetectable		 1m4iB-1t8bA:
23.31
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.
2hes YDR267CP

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASP X  53
ASP X  33
GLY X  30
SER X  77
SER X  83
 None
 1.24A 1m4iB-2hesX:
0.0		 1m4iB-2hesX:
19.52
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.
2oxf URIDINE
PHOSPHORYLASE

(Salmonella
enterica) 		PF01048
(PNP_UDP_1) 		5 ASP A1027
GLU A1049
GLY A1068
SER A1046
SER A1052
 None
 1.35A 1m4iB-2oxfA:
0.0		 1m4iB-2oxfA:
25.23
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ASP A  73
GLU A  38
GLY A  40
ASP A 162
THR A  96
 FE2  A 401 ( 2.8A)
None
None
None
None
 1.45A 1m4iB-2vw8A:
undetectable		 1m4iB-2vw8A:
21.50
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ASP A  81
GLU A  30
GLY A  27
ASP A 421
THR A 420
 None
 1.41A 1m4iB-4a5qA:
0.0		 1m4iB-4a5qA:
15.07
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ASP A  73
GLY A  76
SER A 177
SER A 179
ASP A  45
 None
 1.20A 1m4iB-4p08A:
0.0		 1m4iB-4p08A:
18.23
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.
4rld ASPARTIC PROTEASE
BLA G 2

(Blattella
germanica) 		PF00026
(Asp) 		5 GLU A 164
GLY A 163
SER A 152
SER A 311
ASP A 171
 None
 1.26A 1m4iB-4rldA:
0.0		 1m4iB-4rldA:
17.52
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		5 ASP A  67
ASP A 162
SER A 193
ASP A 243
THR A 220
 None
RIP  A 401 (-3.0A)
None
RIP  A 401 (-2.6A)
RIP  A 401 ( 4.8A)
 1.17A 1m4iB-4ry0A:
0.0		 1m4iB-4ry0A:
21.11
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ASP A 344
SER A 260
SER A 329
THR A 248
ASP A 262
 None
 1.41A 1m4iB-4xhbA:
undetectable		 1m4iB-4xhbA:
12.92
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 ASP A 423
GLY A 381
SER A 384
SER A 388
ASP A 421
 None
 1.45A 1m4iB-5lewA:
undetectable		 1m4iB-5lewA:
10.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		6 ASP A  32
ASP A  37
GLU A  79
SER A 114
SER A 116
ASP A 176
 8MM  A 201 ( 4.5A)
8MM  A 201 (-3.3A)
8MM  A 201 (-4.5A)
8MM  A 201 (-3.3A)
8MM  A 201 (-3.7A)
8MM  A 201 (-4.4A)
 0.67A 1m4iB-5us1A:
28.1		 1m4iB-5us1A:
33.52