SIMILAR PATTERNS OF AMINO ACIDS FOR 6CNK_A_NCTA405

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.
1jfl ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 TYR A 160
THR A  49
CYH A  82
THR A 127
 None
 1.28A 6cnkA-1jflA:
undetectable
6cnkB-1jflA:
undetectable		 6cnkA-1jflA:
25.42
6cnkB-1jflA:
25.42
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A 120
CYH A 265
TYR A 123
THR A 117
 None
5CA  A 512 ( 3.8A)
None
5CA  A 512 (-3.5A)
 1.46A 6cnkA-1nj1A:
undetectable
6cnkB-1nj1A:
0.0		 6cnkA-1nj1A:
9.35
6cnkB-1nj1A:
9.35
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.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
THR A 143
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.7A)
 0.70A 6cnkA-2bj0A:
21.5
6cnkB-2bj0A:
15.1		 6cnkA-2bj0A:
17.44
6cnkB-2bj0A:
17.44
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.
2p31 GLUTATHIONE
PEROXIDASE 7

(Homo sapiens) 		PF00255
(GSHPx) 		4 TYR A 147
THR A 141
CYH A  86
THR A 121
 None
 1.43A 6cnkA-2p31A:
undetectable
6cnkB-2p31A:
undetectable		 6cnkA-2p31A:
17.24
6cnkB-2p31A:
17.24
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		4 TYR A   6
THR A  47
TYR A 237
THR A  29
 None
None
MET  A 600 (-4.6A)
None
 1.03A 6cnkA-2x1mA:
3.6
6cnkB-2x1mA:
4.7		 6cnkA-2x1mA:
9.39
6cnkB-2x1mA:
9.39
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A 149
CYH A 294
TYR A 152
THR A 146
 None
PR8  A 601 ( 3.8A)
None
PR8  A 601 (-4.0A)
 1.45A 6cnkA-3ialA:
0.0
6cnkB-3ialA:
0.0		 6cnkA-3ialA:
12.05
6cnkB-3ialA:
12.05
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.
3l5h INTERLEUKIN-6
RECEPTOR SUBUNIT
BETA

(Homo sapiens) 		PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind) 		4 TYR A 235
TRP A 222
THR A 223
THR A 221
 None
 1.22A 6cnkA-3l5hA:
0.7
6cnkB-3l5hA:
1.6		 6cnkA-3l5hA:
11.48
6cnkB-3l5hA:
11.48
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.
3uet ALPHA-1,3/4-FUCOSIDA
SE

(Bifidobacterium
longum) 		PF01120
(Alpha_L_fucos) 		4 TYR A 148
THR A 138
CYH A  90
THR A  97
 None
 1.39A 6cnkA-3uetA:
0.0
6cnkB-3uetA:
undetectable		 6cnkA-3uetA:
11.33
6cnkB-3uetA:
11.33
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.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
THR A 144
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 (-3.8A)
 0.54A 6cnkA-3zdhA:
20.4
6cnkB-3zdhA:
14.2		 6cnkA-3zdhA:
19.17
6cnkB-3zdhA:
19.17
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 TYR A 291
TRP A 326
THR A 324
THR A 318
 None
 1.41A 6cnkA-4bp8A:
2.0
6cnkB-4bp8A:
undetectable		 6cnkA-4bp8A:
8.53
6cnkB-4bp8A:
8.53
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 TYR A 499
TRP A 544
THR A 553
CYH A 459
 None
 1.39A 6cnkA-4cj0A:
4.3
6cnkB-4cj0A:
4.4		 6cnkA-4cj0A:
8.00
6cnkB-4cj0A:
8.00
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.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Homo sapiens;
Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
THR A 146
TYR A 191
 None
 0.48A 6cnkA-4hqpA:
20.4
6cnkB-4hqpA:
14.8		 6cnkA-4hqpA:
17.01
6cnkB-4hqpA:
17.01
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.
4lnv THIOESTER-CONTAINING
PROTEIN I

(Anopheles
gambiae) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 TYR A1305
THR A 857
TYR A1273
THR A1109
 None
 1.30A 6cnkA-4lnvA:
2.0
6cnkB-4lnvA:
undetectable		 6cnkA-4lnvA:
5.36
6cnkB-4lnvA:
5.36
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.
4mmg MRNA INTERFERASE
YAFQ

(Escherichia
coli) 		PF15738
(YafQ_toxin) 		4 TYR A  47
THR A  34
TYR A  31
THR A  40
 None
 1.41A 6cnkA-4mmgA:
undetectable
6cnkB-4mmgA:
undetectable		 6cnkA-4mmgA:
19.19
6cnkB-4mmgA:
19.19
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.
4uom FAB FRAGMENT HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H 148
THR H 154
CYH H 143
THR H 168
 None
 1.43A 6cnkA-4uomH:
2.7
6cnkB-4uomH:
undetectable		 6cnkA-4uomH:
15.57
6cnkB-4uomH:
15.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
THR A 179
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
 0.68A 6cnkA-5fjvA:
23.5
6cnkB-5fjvA:
16.9		 6cnkA-5fjvA:
59.38
6cnkB-5fjvA:
59.38
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.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 TYR A   7
THR A  48
TYR A 237
THR A  30
 None
 1.06A 6cnkA-5k0tA:
4.2
6cnkB-5k0tA:
4.5		 6cnkA-5k0tA:
9.42
6cnkB-5k0tA:
9.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.54A 6cnkA-5kxiA:
36.6
6cnkB-5kxiA:
36.6		 6cnkA-5kxiA:
100.00
6cnkB-5kxiA:
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 TYR A  82
TRP A  96
THR A  97
THR A 160
 None
 1.35A 6cnkA-5tr1A:
2.0
6cnkB-5tr1A:
2.3		 6cnkA-5tr1A:
10.54
6cnkB-5tr1A:
10.54
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.
5u3l DH511.2 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 TYR H 145
THR H 151
CYH H 140
THR H 165
 None
 1.47A 6cnkA-5u3lH:
undetectable
6cnkB-5u3lH:
undetectable		 6cnkA-5u3lH:
14.43
6cnkB-5u3lH:
14.43
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 4 TYR A   5
THR A  46
TYR A 235
THR A  28
 None
 1.05A 6cnkA-6ax8A:
4.6
6cnkB-6ax8A:
4.6		 6cnkA-6ax8A:
16.28
6cnkB-6ax8A:
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.
6bzg PROTEIN ZIP2
SPORULATION-SPECIFIC
PROTEIN 16

(Saccharomyces
cerevisiae) 		no annotation 4 TRP B 599
THR A 121
CYH A  25
THR A 118
 None
 1.40A 6cnkA-6bzgB:
undetectable
6cnkB-6bzgB:
undetectable		 6cnkA-6bzgB:
20.00
6cnkB-6bzgB:
20.00