SIMILAR PATTERNS OF AMINO ACIDS FOR 4K50_F_ACTF701

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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		4 PHE A 128
HIS A 125
GLY A 193
ILE A 195
 None
 0.86A 4k50E-1j3bA:
0.0		 4k50E-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)
 1.27A 4k50E-1li7A:
0.0		 4k50E-1li7A:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 PHE A 195
HIS A 199
GLY A 291
ILE A 294
 None
 0.90A 4k50E-1tp7A:
55.5		 4k50E-1tp7A:
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.
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
 1.48A 4k50E-1we5A:
0.0		 4k50E-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
 0.46A 4k50E-1xr6A:
55.6		 4k50E-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
 0.86A 4k50E-2defA:
0.0		 4k50E-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
 1.40A 4k50E-2ifyA:
0.0		 4k50E-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
 1.46A 4k50E-2jvmA:
undetectable		 4k50E-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.
2pof CDP-DIACYLGLYCEROL
PYROPHOSPHATASE

(Escherichia
coli) 		PF02611
(CDH) 		4 PHE A 139
HIS A 138
GLY A  86
ILE A  84
 None
 1.49A 4k50E-2pofA:
0.0		 4k50E-2pofA:
16.93
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.
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
 1.09A 4k50E-2w55B:
0.0		 4k50E-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
 1.41A 4k50E-2xsjA:
undetectable		 4k50E-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.
3fb2 SPECTRIN ALPHA
CHAIN, BRAIN
SPECTRIN

(Homo sapiens) 		PF00435
(Spectrin) 		4 PHE A1344
HIS A1410
GLY A1402
ILE A1416
 None
 1.41A 4k50E-3fb2A:
1.6		 4k50E-3fb2A:
18.32
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 4k50E-3iq0A:
undetectable		 4k50E-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
 1.23A 4k50E-3ktnA:
undetectable		 4k50E-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
 1.40A 4k50E-3or2A:
undetectable		 4k50E-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
 1.20A 4k50E-3qfkA:
undetectable		 4k50E-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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 4 PHE A 113
HIS A 115
GLY A 243
ILE A 245
 None
 1.02A 4k50E-3w9aA:
undetectable		 4k50E-3w9aA:
18.79
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 4k50E-4bi5A:
0.1		 4k50E-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
 1.35A 4k50E-4j5tA:
1.6		 4k50E-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 4k50E-4ofwA:
undetectable		 4k50E-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
 1.28A 4k50E-4wggA:
undetectable		 4k50E-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 4k50E-5kgnA:
undetectable		 4k50E-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.
6b4j NUCLEOPORIN GLE1

(Homo sapiens) 		no annotation 4 PHE B 445
HIS B 449
GLY B 508
ILE B 509
 None
 1.26A 4k50E-6b4jB:
0.8		 4k50E-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
 1.44A 4k50E-6c8sA:
undetectable		 4k50E-6c8sA:
undetectable