SIMILAR PATTERNS OF AMINO ACIDS FOR 1ND4_A_KANA1300_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)
 1.22A 1nd4A-1l8tA:
29.3		 1nd4A-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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ASP I 202
ASP I 315
GLU I 311
ARG I 589
GLU I 319
 NDP  I 600 (-2.8A)
MG  I 602 (-2.7A)
None
NDP  I 600 (-2.8A)
MG  I 601 ( 2.7A)
 1.18A 1nd4A-1yveI:
0.0		 1nd4A-1yveI:
18.87
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
 1.36A 1nd4A-2ifyA:
0.0		 1nd4A-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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASP A  93
ASP A 236
GLU A 237
ARG A  69
ARG A 239
 None
 1.32A 1nd4A-3gg9A:
0.0		 1nd4A-3gg9A:
23.77
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
 1.34A 1nd4A-3n92A:
0.0		 1nd4A-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)
 0.29A 1nd4A-4gkhA:
32.0		 1nd4A-4gkhA:
33.94
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) 		5 ASP A 165
ASP A 167
ASP A 198
GLU A 238
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
None
KAN  A 301 (-3.2A)
 1.04A 1nd4A-4gkhA:
32.0		 1nd4A-4gkhA:
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.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		5 ASP A  99
ASP A  51
ARG A 101
ASP A 120
GLU A 159
 None
 1.48A 1nd4A-4nx8A:
0.0		 1nd4A-4nx8A:
21.82
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
 1.23A 1nd4A-4qaxA:
0.0		 1nd4A-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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A  18
ARG A 257
ARG A  16
ASP A 331
ASP A 335
 None
 1.33A 1nd4A-4upiA:
undetectable		 1nd4A-4upiA:
19.20
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 ASP A  50
GLU A  47
ASP A 212
ASP A  91
GLU A  74
 PO4  A 304 ( 3.9A)
None
MG  A 302 ( 2.7A)
MG  A 301 (-2.5A)
None
 1.41A 1nd4A-5djiA:
undetectable		 1nd4A-5djiA:
24.68
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.
5hjp OXYSTEROLS RECEPTOR
LXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASP B 245
ARG B 473
ARG B 241
ASP B 284
GLU B 281
 None
None
None
None
668  B 501 (-3.4A)
 1.46A 1nd4A-5hjpB:
undetectable		 1nd4A-5hjpB:
25.25
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.
5jgc PROTEIN TPR1

(Oryza sativa) 		no annotation 5 ASP A  51
ASP A  95
GLU A  83
ASP A 100
GLU A  54
 None
 1.44A 1nd4A-5jgcA:
undetectable		 1nd4A-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
 1.40A 1nd4A-5uohA:
undetectable		 1nd4A-5uohA:
21.07