SIMILAR PATTERNS OF AMINO ACIDS FOR 4K50_M_ACTM503_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
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 PHE B2417
HIS B2196
GLY B2174
ILE B2175
 None
 1.49A 4k50M-1e6yB:
1.3		 4k50M-1e6yB:
22.18
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		4 PHE A 128
HIS A 125
GLY A 193
ILE A 195
 None
 0.85A 4k50M-1j3bA:
0.0		 4k50M-1j3bA:
21.76
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		4 PHE A  44
HIS A  40
GLY A  29
ILE A  30
 None
None
CYS  A1000 (-4.3A)
CYS  A1000 (-4.9A)
 1.26A 4k50M-1li7A:
0.0		 4k50M-1li7A:
22.43
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 PHE A  53
HIS A  71
GLY A 138
ILE A  17
 None
 1.50A 4k50M-1we5A:
0.0		 4k50M-1we5A:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 PHE A 195
HIS A 199
GLY A 291
ILE A 294
 None
 0.50A 4k50M-1xr6A:
48.9		 4k50M-1xr6A:
85.22
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.
2def PEPTIDE DEFORMYLASE

(Escherichia
coli) 		PF01327
(Pep_deformylase) 		4 PHE A 142
HIS A 136
GLY A  89
ILE A  93
 NI  A 148 ( 4.6A)
NI  A 148 ( 3.2A)
None
None
 0.90A 4k50M-2defA:
0.0		 4k50M-2defA:
15.16
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) 		4 PHE A 343
HIS A  65
GLY A  69
ILE A  68
 None
 1.41A 4k50M-2ifyA:
0.0		 4k50M-2ifyA:
21.81
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.
2jvm UNCHARACTERIZED
PROTEIN

(Rhodobacter
sphaeroides) 		PF10276
(zf-CHCC) 		4 PHE A  53
HIS A  75
GLY A  52
ILE A  64
 None
 1.44A 4k50M-2jvmA:
undetectable		 4k50M-2jvmA:
10.66
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE B 291
HIS B 293
GLY B 352
ILE B 274
 None
 1.05A 4k50M-2w55B:
0.1		 4k50M-2w55B:
20.15
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 PHE A  91
HIS A  64
GLY A  52
ILE A  53
 None
 1.42A 4k50M-2xsjA:
0.0		 4k50M-2xsjA:
23.00
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		4 PHE A 164
HIS A 133
GLY A 136
ILE A 134
 None
 1.03A 4k50M-3iq0A:
undetectable		 4k50M-3iq0A:
22.27
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		4 PHE A 164
HIS A 132
GLY A 135
ILE A 133
 None
 1.22A 4k50M-3ktnA:
undetectable		 4k50M-3ktnA:
22.34
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		4 PHE A  91
HIS A  64
GLY A  52
ILE A  53
 None
 1.41A 4k50M-3or2A:
undetectable		 4k50M-3or2A:
23.90
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 PHE A 327
HIS A 325
GLY A 354
ILE A 314
 None
 1.18A 4k50M-3qfkA:
undetectable		 4k50M-3qfkA:
20.28
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 PHE B2945
HIS B2977
GLY B2944
ILE B2942
 None
 1.33A 4k50M-4bedB:
undetectable		 4k50M-4bedB:
13.98
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		4 PHE A 245
HIS A  24
GLY A  10
ILE A  41
 None
 0.88A 4k50M-4bi5A:
0.1		 4k50M-4bi5A:
19.35
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 PHE A 475
HIS A 601
GLY A 473
ILE A 469
 None
 1.34A 4k50M-4j5tA:
1.9		 4k50M-4j5tA:
19.27
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		4 PHE A 374
HIS A 371
GLY A 365
ILE A 312
 None
 1.38A 4k50M-4ofwA:
undetectable		 4k50M-4ofwA:
22.91
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.
4wgg DOUBLE BOND
REDUCTASE

(Zingiber
officinale) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 PHE A 289
HIS A 294
GLY A 151
ILE A 155
 NAP  A 400 (-4.7A)
None
None
None
 1.26A 4k50M-4wggA:
undetectable		 4k50M-4wggA:
23.01
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 367
HIS A  90
GLY A  94
ILE A  93
 None
 1.41A 4k50M-5kgnA:
undetectable		 4k50M-5kgnA:
20.43
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 PHE A1326
HIS A1357
GLY A1325
ILE A1409
 None
 1.40A 4k50M-5mzoA:
undetectable		 4k50M-5mzoA:
15.42
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.
6b4j NUCLEOPORIN GLE1

(Homo sapiens) 		no annotation 4 PHE B 445
HIS B 449
GLY B 508
ILE B 509
 None
 1.26A 4k50M-6b4jB:
0.6		 4k50M-6b4jB:
undetectable
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.
6c8s LOGANIC ACID
O-METHYLTRANSFERASE

(Catharanthus
roseus) 		no annotation 4 PHE A  65
HIS A 153
GLY A 219
ILE A  64
 None
 1.45A 4k50M-6c8sA:
undetectable		 4k50M-6c8sA:
undetectable