SIMILAR PATTERNS OF AMINO ACIDS FOR 1ND4_B_KANB2300_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.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 ARG A 211
ARG A 226
GLU A 230
ASP A 261
GLU A 262
 None
KAN  A   1 (-4.0A)
KAN  A   1 (-2.8A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 1.20A 1nd4B-1l8tA:
29.4		 1nd4B-1l8tA:
31.25
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 ASP A 467
ASP A 389
ARG A 423
GLU A 463
GLU A 468
 None
 1.21A 1nd4B-1lfwA:
0.8		 1nd4B-1lfwA:
20.70
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.
1y3n ALGQ1

(Sphingomonas
sp. A1) 		PF01547
(SBP_bac_1) 		5 ASP A 269
ARG A 186
GLU A 306
ASP A 187
GLU A 189
 None
MAV  A 495 (-3.1A)
None
MAV  A 495 ( 4.4A)
None
 1.45A 1nd4B-1y3nA:
0.0		 1nd4B-1y3nA:
21.29
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 191
ARG A 193
ARG A 263
ASP A 262
GLU A 230
 None
 1.33A 1nd4B-2ifyA:
0.0		 1nd4B-2ifyA:
19.96
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.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ASP A 520
ARG A 519
GLU A 518
ASP A 491
GLU A 459
 None
 1.36A 1nd4B-3n92A:
0.0		 1nd4B-3n92A:
21.40
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) 		6 ASP A 165
ASP A 167
ASP A 198
ARG A 219
ASP A 268
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.28A 1nd4B-4gkhA:
32.1		 1nd4B-4gkhA:
33.94
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) 		6 ASP A 153
ASP A 184
ARG A 207
ARG A 222
ASP A 264
GLU A 265
 None
 0.69A 1nd4B-4h05A:
31.3		 1nd4B-4h05A:
40.14
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 192
ARG A 194
ARG A 260
ASP A 259
GLU A 231
 None
None
2PG  A 603 (-3.1A)
2PG  A 603 (-3.4A)
None
 1.19A 1nd4B-4qaxA:
0.0		 1nd4B-4qaxA:
18.99
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.
5jgc PROTEIN TPR1

(Oryza sativa) 		no annotation 5 ASP A  51
ASP A  95
GLU A  83
ASP A 100
GLU A  54
 None
 1.47A 1nd4B-5jgcA:
undetectable		 1nd4B-5jgcA:
17.44
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 ASP A 259
ASP A 407
ARG A 411
ASP A 401
GLU A 264
 None
 1.42A 1nd4B-5uohA:
undetectable		 1nd4B-5uohA:
21.07