SIMILAR PATTERNS OF AMINO ACIDS FOR 1M2W_B_MTLB6600_0

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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		9 ASN A 191
ASP A 230
LYS A 295
LEU A 299
ASN A 300
HIS A 303
ARG A 373
VAL A 374
LYS A 381
 NAD  A5500 ( 3.1A)
MTL  A5600 (-3.6A)
MTL  A5600 (-2.8A)
MTL  A5600 ( 4.7A)
MTL  A5600 (-3.2A)
MTL  A5600 (-3.8A)
MTL  A5600 ( 3.1A)
MTL  A5600 (-3.6A)
MTL  A5600 (-2.9A)
 0.08A 1m2wB-1m2wA:
64.9		 1m2wB-1m2wA:
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		7 ASP A 158
LYS A 212
LEU A 216
ASN A 217
HIS A 220
VAL A 293
LYS A 300
 None
None
None
None
None
None
PO4  A 393 (-3.4A)
 0.75A 1m2wB-3h2zA:
29.8		 1m2wB-3h2zA:
25.15
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		7 ASP A 158
LYS A 212
LEU A 216
HIS A 220
ARG A 292
VAL A 293
LYS A 300
 None
None
None
None
None
None
PO4  A 393 (-3.4A)
 0.96A 1m2wB-3h2zA:
29.8		 1m2wB-3h2zA:
25.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		7 ASN A 185
ASP A 224
LYS A 289
LEU A 293
ASN A 294
HIS A 297
LYS A 374
 NAI  A 502 ( 3.3A)
CS2  A 501 (-3.6A)
CS2  A 501 (-2.7A)
CS2  A 501 ( 4.5A)
CS2  A 501 (-3.0A)
CS2  A 501 (-3.7A)
CS2  A 501 (-2.8A)
 0.51A 1m2wB-4im7A:
51.9		 1m2wB-4im7A:
38.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5itg SORBITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ASP A 229
LEU A 298
ASN A 299
HIS A 302
LYS A 380
 None
 0.70A 1m2wB-5itgA:
42.3		 1m2wB-5itgA:
40.08
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.
5jnm MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 6 ASP A 150
LYS A 200
ASN A 205
HIS A 208
VAL A 281
LYS A 288
 None
None
SO4  A 401 (-4.6A)
None
None
SO4  A 401 ( 4.1A)
 0.64A 1m2wB-5jnmA:
28.7		 1m2wB-5jnmA:
27.27