SIMILAR PATTERNS OF AMINO ACIDS FOR 2EIK_O_CHDO229_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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.23A 2eikG-1dgjA:
0.0
2eikN-1dgjA:
0.0
2eikO-1dgjA:
0.0		 2eikG-1dgjA:
6.46
2eikN-1dgjA:
20.43
2eikO-1dgjA:
13.47
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.13A 2eikG-1dgjA:
0.0
2eikN-1dgjA:
0.0
2eikO-1dgjA:
0.0		 2eikG-1dgjA:
6.46
2eikN-1dgjA:
20.43
2eikO-1dgjA:
13.47
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.15A 2eikG-1k5sB:
0.0
2eikN-1k5sB:
0.0
2eikO-1k5sB:
0.0		 2eikG-1k5sB:
12.50
2eikN-1k5sB:
20.53
2eikO-1k5sB:
17.45
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ARG A 197
ARG A 201
GLY A 234
GLN A 177
THR A 257
 NAD  A 600 (-3.9A)
None
None
None
None
 1.48A 2eikG-1x87A:
0.0
2eikN-1x87A:
0.0
2eikO-1x87A:
0.0		 2eikG-1x87A:
9.12
2eikN-1x87A:
20.44
2eikO-1x87A:
18.23
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ARG A  90
GLY A 105
GLY A  67
GLN A  71
GLU A  40
 NLG  A1302 (-4.3A)
None
NLG  A1302 (-3.3A)
None
None
 1.31A 2eikG-2bufA:
0.0
2eikN-2bufA:
0.0
2eikO-2bufA:
0.0		 2eikG-2bufA:
14.04
2eikN-2bufA:
22.06
2eikO-2bufA:
21.69
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A  93
GLY A 123
GLN A  89
THR A 228
THR A 168
 None
 1.25A 2eikG-2d42A:
0.0
2eikN-2d42A:
undetectable
2eikO-2d42A:
0.0		 2eikG-2d42A:
14.80
2eikN-2d42A:
20.24
2eikO-2d42A:
22.30
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 MET A1029
GLY A1030
TRP A1026
GLN A1104
THR A1069
 None
 1.22A 2eikG-2nlkA:
0.0
2eikN-2nlkA:
0.3
2eikO-2nlkA:
1.1		 2eikG-2nlkA:
8.51
2eikN-2nlkA:
21.20
2eikO-2nlkA:
16.56
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ARG A 409
GLY A 472
TRP A 468
GLN A 559
THR A 524
 None
None
None
CL  A 590 ( 4.8A)
None
 1.49A 2eikG-2pa5A:
0.0
2eikN-2pa5A:
0.0
2eikO-2pa5A:
0.0		 2eikG-2pa5A:
12.87
2eikN-2pa5A:
17.34
2eikO-2pa5A:
22.80
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.44A 2eikG-2quaA:
0.0
2eikN-2quaA:
0.0
2eikO-2quaA:
0.5		 2eikG-2quaA:
9.09
2eikN-2quaA:
21.91
2eikO-2quaA:
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.34A 2eikG-2xhyA:
0.0
2eikN-2xhyA:
0.0
2eikO-2xhyA:
0.0		 2eikG-2xhyA:
10.37
2eikN-2xhyA:
20.62
2eikO-2xhyA:
18.60
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.40A 2eikG-3bt7A:
undetectable
2eikN-3bt7A:
0.0
2eikO-3bt7A:
undetectable		 2eikG-3bt7A:
13.92
2eikN-3bt7A:
20.94
2eikO-3bt7A:
20.40
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.32A 2eikG-3ce6A:
undetectable
2eikN-3ce6A:
0.0
2eikO-3ce6A:
undetectable		 2eikG-3ce6A:
12.00
2eikN-3ce6A:
22.59
2eikO-3ce6A:
18.09
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.42A 2eikG-3cvrA:
undetectable
2eikN-3cvrA:
undetectable
2eikO-3cvrA:
undetectable		 2eikG-3cvrA:
9.07
2eikN-3cvrA:
22.78
2eikO-3cvrA:
18.50
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ARG A 112
PHE A 104
GLY A  83
GLY A 153
THR A 129
 None
 1.35A 2eikG-3fgbA:
undetectable
2eikN-3fgbA:
undetectable
2eikO-3fgbA:
undetectable		 2eikG-3fgbA:
13.33
2eikN-3fgbA:
20.44
2eikO-3fgbA:
21.47
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.21A 2eikG-3hdjA:
undetectable
2eikN-3hdjA:
undetectable
2eikO-3hdjA:
undetectable		 2eikG-3hdjA:
12.86
2eikN-3hdjA:
20.63
2eikO-3hdjA:
20.69
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.08A 2eikG-3s9bA:
undetectable
2eikN-3s9bA:
undetectable
2eikO-3s9bA:
undetectable		 2eikG-3s9bA:
15.53
2eikN-3s9bA:
19.00
2eikO-3s9bA:
21.01
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.36A 2eikG-3wy7A:
undetectable
2eikN-3wy7A:
0.1
2eikO-3wy7A:
undetectable		 2eikG-3wy7A:
12.93
2eikN-3wy7A:
21.19
2eikO-3wy7A:
19.49
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ARG A 917
PHE A 803
GLY A 805
GLY A1083
GLN A1045
 MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
None
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
 1.30A 2eikG-3zyvA:
undetectable
2eikN-3zyvA:
undetectable
2eikO-3zyvA:
undetectable		 2eikG-3zyvA:
4.98
2eikN-3zyvA:
18.19
2eikO-3zyvA:
10.10
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.38A 2eikG-4cgyA:
undetectable
2eikN-4cgyA:
1.8
2eikO-4cgyA:
undetectable		 2eikG-4cgyA:
9.36
2eikN-4cgyA:
20.21
2eikO-4cgyA:
12.96
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
GLU A 505
THR A 482
 None
 1.29A 2eikG-4cu8A:
undetectable
2eikN-4cu8A:
undetectable
2eikO-4cu8A:
undetectable		 2eikG-4cu8A:
7.93
2eikN-4cu8A:
20.58
2eikO-4cu8A:
14.29
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.41A 2eikG-4cu8A:
undetectable
2eikN-4cu8A:
undetectable
2eikO-4cu8A:
undetectable		 2eikG-4cu8A:
7.93
2eikN-4cu8A:
20.58
2eikO-4cu8A:
14.29
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 PHE A 153
GLY A 133
GLY A 242
THR A 175
THR A 176
 None
 1.47A 2eikG-4htlA:
undetectable
2eikN-4htlA:
0.0
2eikO-4htlA:
undetectable		 2eikG-4htlA:
14.63
2eikN-4htlA:
22.05
2eikO-4htlA:
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.37A 2eikG-4qdgA:
undetectable
2eikN-4qdgA:
undetectable
2eikO-4qdgA:
undetectable		 2eikG-4qdgA:
13.97
2eikN-4qdgA:
20.49
2eikO-4qdgA:
23.20
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
 MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
 1.01A 2eikG-5epgA:
undetectable
2eikN-5epgA:
0.0
2eikO-5epgA:
undetectable		 2eikG-5epgA:
5.22
2eikN-5epgA:
16.15
2eikO-5epgA:
11.18
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ARG B  94
PHE B 100
GLY B  92
GLY B  39
THR B  73
 None
 1.27A 2eikG-5gq0B:
undetectable
2eikN-5gq0B:
undetectable
2eikO-5gq0B:
undetectable		 2eikG-5gq0B:
12.46
2eikN-5gq0B:
20.15
2eikO-5gq0B:
18.62