SIMILAR PATTERNS OF AMINO ACIDS FOR 5HRQ_A_IPHA101

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.
1mda METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 CYH H 167
CYH H 183
LEU H 180
HIS H 169
 None
 1.48A 5hrqA-1mdaH:
undetectable
5hrqB-1mdaH:
undetectable
5hrqF-1mdaH:
undetectable		 5hrqA-1mdaH:
9.77
5hrqB-1mdaH:
7.69
5hrqF-1mdaH:
7.69
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.
1mzh DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Aquifex
aeolicus) 		PF01791
(DeoC) 		4 CYH A 138
CYH A 157
HIS A 143
LEU A 113
 None
 1.40A 5hrqA-1mzhA:
undetectable
5hrqB-1mzhA:
undetectable
5hrqF-1mzhA:
undetectable		 5hrqA-1mzhA:
6.74
5hrqB-1mzhA:
13.94
5hrqF-1mzhA:
13.94
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.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 CYH A 393
HIS A 364
LEU A 366
HIS A 402
 None
 1.12A 5hrqA-1q5nA:
undetectable
5hrqB-1q5nA:
undetectable
5hrqF-1q5nA:
undetectable		 5hrqA-1q5nA:
4.28
5hrqB-1q5nA:
7.32
5hrqF-1q5nA:
7.32
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.
1sc0 HYPOTHETICAL PROTEIN
HI1161

(Haemophilus
influenzae) 		PF03061
(4HBT) 		4 CYH A 126
HIS A  54
LEU A  53
HIS A  89
 None
 1.29A 5hrqA-1sc0A:
undetectable
5hrqB-1sc0A:
undetectable
5hrqF-1sc0A:
undetectable		 5hrqA-1sc0A:
10.62
5hrqB-1sc0A:
14.17
5hrqF-1sc0A:
14.17
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		4 CYH A 133
HIS A 282
LEU A 286
HIS A 140
 None
 1.47A 5hrqA-2bujA:
undetectable
5hrqB-2bujA:
undetectable
5hrqF-2bujA:
undetectable		 5hrqA-2bujA:
8.52
5hrqB-2bujA:
6.02
5hrqF-2bujA:
6.02
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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB

(Methanothermobacter
thermautotrophicus) 		PF01641
(SelR) 		4 CYH A 116
CYH A 119
HIS A 122
LEU A 123
 ZN  A 155 ( 2.3A)
ZN  A 155 ( 2.4A)
None
None
 1.38A 5hrqA-2k8dA:
undetectable
5hrqB-2k8dA:
undetectable
5hrqF-2k8dA:
undetectable		 5hrqA-2k8dA:
9.42
5hrqB-2k8dA:
9.70
5hrqF-2k8dA:
9.70
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.
2v9k UNCHARACTERIZED
PROTEIN FLJ32312

(Homo sapiens) 		no annotation 4 CYH A 230
CYH A 233
HIS A 224
LEU A 226
 None
 1.34A 5hrqA-2v9kA:
undetectable
5hrqB-2v9kA:
undetectable
5hrqF-2v9kA:
undetectable		 5hrqA-2v9kA:
4.03
5hrqB-2v9kA:
5.64
5hrqF-2v9kA:
5.64
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		4 CYH A 197
CYH A 206
LEU A 199
HIS A 172
 None
 1.07A 5hrqA-4h0oA:
undetectable
5hrqB-4h0oA:
undetectable
5hrqF-4h0oA:
undetectable		 5hrqA-4h0oA:
3.98
5hrqB-4h0oA:
7.77
5hrqF-4h0oA:
7.77
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.
4k49 ESTERASE YDII

(Escherichia
coli) 		no annotation 4 CYH C 126
HIS C  54
LEU C  53
HIS C  89
 None
HFQ  C 201 (-3.7A)
None
HFQ  C 201 (-4.1A)
 1.43A 5hrqA-4k49C:
undetectable
5hrqB-4k49C:
undetectable
5hrqF-4k49C:
undetectable		 5hrqA-4k49C:
11.36
5hrqB-4k49C:
17.24
5hrqF-4k49C:
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.
4k4d PROOFREADING
THIOESTERASE ENTH

(Escherichia
coli) 		PF03061
(4HBT) 		4 CYH A 126
HIS A  54
LEU A  53
HIS A  89
 None
HFQ  A 201 (-3.2A)
None
HFQ  A 201 (-4.2A)
 1.38A 5hrqA-4k4dA:
undetectable
5hrqB-4k4dA:
undetectable
5hrqF-4k4dA:
undetectable		 5hrqA-4k4dA:
8.70
5hrqB-4k4dA:
14.29
5hrqF-4k4dA:
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.
4mwf FAB AR3C HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 CYH A  92
CYH A  22
LEU A  34
HIS A  79
 None
 1.33A 5hrqA-4mwfA:
undetectable
5hrqB-4mwfA:
undetectable
5hrqF-4mwfA:
undetectable		 5hrqA-4mwfA:
6.60
5hrqB-4mwfA:
10.18
5hrqF-4mwfA:
10.18
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.
5ex8 CYTOCHROME P450

(Streptomyces
toyocaensis) 		PF00067
(p450) 		4 CYH A 306
HIS A 340
LEU A  61
HIS A 283
 None
HEM  A 401 (-3.8A)
None
HEM  A 401 ( 3.7A)
 1.47A 5hrqA-5ex8A:
undetectable
5hrqB-5ex8A:
undetectable
5hrqF-5ex8A:
undetectable		 5hrqA-5ex8A:
4.30
5hrqB-5ex8A:
5.71
5hrqF-5ex8A:
5.71
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4) 		4 CYH B  69
CYH B  57
HIS B  45
HIS B  41
 FES  B 303 (-2.3A)
FES  B 303 (-2.2A)
None
None
 1.47A 5hrqA-5xfaB:
undetectable
5hrqB-5xfaB:
undetectable
5hrqF-5xfaB:
undetectable		 5hrqA-5xfaB:
6.91
5hrqB-5xfaB:
11.31
5hrqF-5xfaB:
11.31