SIMILAR PATTERNS OF AMINO ACIDS FOR 5WM2_A_SALA601

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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A 234
ASN A 235
GLY A 307
VAL A 329
GLY A 331
 None
 0.49A 5wm2A-1mdfA:
61.9		 5wm2A-1mdfA:
10.08
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.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		5 GLY A  58
VAL A  82
GLY A  60
LEU A 298
LYS A 109
 2HA  A1554 (-3.7A)
None
None
None
2HA  A1554 (-2.4A)
 1.36A 5wm2A-1un9A:
4.1		 5wm2A-1un9A:
9.42
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 ASN A 158
PHE A 155
CYH A 161
VAL A 195
LEU A 199
 None
 1.44A 5wm2A-2q0fA:
2.0		 5wm2A-2q0fA:
15.41
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 PHE A 490
CYH A 493
GLY A 384
VAL A 346
LEU A 366
 None
PO4  A 511 ( 4.0A)
None
None
PO4  A 511 (-3.8A)
 1.19A 5wm2A-3hz6A:
0.0		 5wm2A-3hz6A:
9.20
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.
3khp MAOC FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 CYH A  60
GLY A 121
VAL A  99
GLY A 123
LEU A  97
 None
 1.02A 5wm2A-3khpA:
undetectable		 5wm2A-3khpA:
16.28
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.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		6 HIS A 241
ASN A 242
PHE A 243
GLY A 314
VAL A 336
GLY A 338
 HP8  A 601 (-4.1A)
HP8  A 601 (-4.0A)
HP8  A 601 (-4.0A)
HP8  A 601 (-3.5A)
HP8  A 601 (-4.8A)
HP8  A 601 (-3.5A)
 0.38A 5wm2A-3o82A:
56.7		 5wm2A-3o82A:
8.67
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.
3pj0 LMO0305 PROTEIN

(Listeria
monocytogenes) 		PF01212
(Beta_elim_lyase) 		5 HIS A 174
PHE A 198
CYH A 195
GLY A 177
LEU A 180
 None
 1.46A 5wm2A-3pj0A:
3.2		 5wm2A-3pj0A:
12.29
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PHE A 373
GLY A 372
VAL A 379
GLY A 374
LEU A 377
 PHE  A 373 ( 1.3A)
GLY  A 372 ( 0.0A)
VAL  A 379 ( 0.6A)
GLY  A 374 ( 0.0A)
LEU  A 377 ( 0.6A)
 1.33A 5wm2A-3wd7A:
0.0		 5wm2A-3wd7A:
14.66
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.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 HIS A 103
CYH A 100
GLY A  60
GLY A 108
LEU A 112
 None
 1.13A 5wm2A-4fn7A:
undetectable		 5wm2A-4fn7A:
15.95
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.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		5 PHE A 154
GLY A 156
VAL A 181
GLY A 158
LEU A 179
 None
 1.41A 5wm2A-4ruwA:
undetectable		 5wm2A-4ruwA:
10.55
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 HIS A 692
GLY A 580
VAL A 586
GLY A 578
LEU A 577
 None
 1.29A 5wm2A-4z7gA:
undetectable		 5wm2A-4z7gA:
12.02
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 5 ASN C 324
PHE C 322
GLY C 297
GLY C 295
LEU C 294
 None
 1.26A 5wm2A-4zngC:
undetectable		 5wm2A-4zngC:
14.52
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 PHE A1130
GLY A1157
VAL A1159
GLY A1132
LEU A1067
 None
 1.44A 5wm2A-4zxiA:
38.1		 5wm2A-4zxiA:
5.54
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		5 HIS A 111
ASN A  49
PHE A 112
VAL A  39
GLY A  64
 None
CA  A1481 (-3.3A)
None
None
CA  A1481 ( 4.9A)
 1.17A 5wm2A-5a2aA:
2.2		 5wm2A-5a2aA:
11.24
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.
5cm8 RAS-RELATED PROTEIN
RAL-A

(Drosophila
melanogaster) 		PF00071
(Ras) 		5 GLY B  83
VAL B  14
GLY B  85
LEU B 168
LYS B 112
 None
 1.39A 5wm2A-5cm8B:
3.1		 5wm2A-5cm8B:
13.93
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		6 HIS A 257
ASN A 258
CYH A 263
GLY A 329
GLY A 354
LEU A 360
 None
 1.26A 5wm2A-5keiA:
60.3		 5wm2A-5keiA:
9.07
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		8 HIS A 257
ASN A 258
PHE A 259
CYH A 263
GLY A 330
VAL A 352
GLY A 354
LEU A 360
 None
 0.45A 5wm2A-5keiA:
60.3		 5wm2A-5keiA:
9.07
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 PHE A1598
GLY A1636
VAL A1663
GLY A1638
LEU A1665
 None
 1.09A 5wm2A-5m5pA:
undetectable		 5wm2A-5m5pA:
4.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 6 HIS A 255
ASN A 256
CYH A 261
GLY A 327
GLY A 352
LEU A 358
 B5M  A 601 ( 4.8A)
B5M  A 601 (-3.9A)
B5M  A 601 (-3.6A)
B5M  A 601 (-3.6A)
B5M  A 601 (-3.8A)
None
 0.98A 5wm2A-5wm4A:
71.8		 5wm2A-5wm4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 9 HIS A 255
ASN A 256
PHE A 257
CYH A 261
GLY A 328
VAL A 350
GLY A 352
LEU A 358
LYS A 460
 B5M  A 601 ( 4.8A)
B5M  A 601 (-3.9A)
B5M  A 601 (-3.6A)
B5M  A 601 (-3.6A)
B5M  A 601 (-3.3A)
B5M  A 601 (-4.8A)
B5M  A 601 (-3.8A)
None
B5M  A 601 (-3.0A)
 0.19A 5wm2A-5wm4A:
71.8		 5wm2A-5wm4A:
100.00