SIMILAR PATTERNS OF AMINO ACIDS FOR 1H1D_A_SAMA301_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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 MET A 433
GLY A 451
TYR A 436
TYR A 454
HIS A 442
 None
 1.37A 1h1dA-1fokA:
undetectable		 1h1dA-1fokA:
19.47
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 GLY A 320
TYR A 318
TYR A 487
MET A 299
HIS A 500
 None
 1.40A 1h1dA-1r6vA:
undetectable		 1h1dA-1r6vA:
15.47
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 MET A  61
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.72A 1h1dA-1susA:
21.3		 1h1dA-1susA:
25.48
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 MET B 682
ASN B 683
VAL B 684
TYR B 720
MET B 725
 None
 1.40A 1h1dA-2bkuB:
undetectable		 1h1dA-2bkuB:
14.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		10 MET A  40
ASN A  41
VAL A  42
GLY A  66
TYR A  68
TYR A  71
ASN A  92
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.23A 1h1dA-3bwmA:
40.1		 1h1dA-3bwmA:
81.31
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.42A 1h1dA-3fsgA:
3.0		 1h1dA-3fsgA:
23.16
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLY A  79
TYR A  84
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
None
SO4  A 233 (-4.9A)
None
None
 1.18A 1h1dA-3ntvA:
21.5		 1h1dA-3ntvA:
22.83
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 VAL A 174
GLY A 146
TYR A 163
TYR A 299
GLN A 292
 None
 1.21A 1h1dA-4be3A:
undetectable		 1h1dA-4be3A:
20.73
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.47A 1h1dA-4bz7A:
3.0		 1h1dA-4bz7A:
20.27
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.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.19A 1h1dA-4ig7A:
undetectable		 1h1dA-4ig7A:
20.18
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 VAL A 345
GLY A 404
TYR A 347
ASN A 407
TYR A 406
 None
None
APC  A 603 (-4.4A)
None
None
 1.37A 1h1dA-4l39A:
2.6		 1h1dA-4l39A:
17.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLY A 109
TYR A 114
ASN A 135
TYR A 138
GLN A 163
HIS A 185
 2F6  A 301 (-3.6A)
None
None
None
2F6  A 301 (-3.8A)
None
 0.44A 1h1dA-4p58A:
33.1		 1h1dA-4p58A:
97.64
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.
4pp1 LIGHT CHAIN OF FAB
FRAGMENT OF MAB 5H8
HEAVY CHAIN OF FAB
FRAGMENT OF MAB 5H8

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY C  91
TYR D 104
ASN C  31
TYR C  50
GLN C  27
 None
 1.14A 1h1dA-4pp1C:
undetectable		 1h1dA-4pp1C:
22.04
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.
4r31 URIDINE
PHOSPHORYLASE

(Actinobacillus
succinogenes) 		PF01048
(PNP_UDP_1) 		5 ASN A 220
VAL A 219
GLY A 216
TYR A 150
GLN A 145
 None
 1.27A 1h1dA-4r31A:
1.1		 1h1dA-4r31A:
23.53
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ASN A 179
GLY A 132
TYR A 134
ASN A 380
TYR A 153
 None
 1.46A 1h1dA-4ypjA:
2.3		 1h1dA-4ypjA:
14.91
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ASN A 159
GLY A 113
TYR A 115
ASN A 362
TYR A 134
 None
 1.45A 1h1dA-5dmyA:
2.4		 1h1dA-5dmyA:
13.20
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.
5icl LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 MET A 269
ASN A 270
GLY A 300
TYR A 303
GLN A 314
 None
 1.47A 1h1dA-5iclA:
undetectable		 1h1dA-5iclA:
21.97
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.
5opf CHITIN-BINDING
DOMAIN 3 PROTEIN

(Micromonospora
aurantiaca) 		no annotation 5 VAL A 191
GLY A  38
TYR A  48
GLN A 112
HIS A  37
 None
None
None
None
CU  A 301 (-3.0A)
 1.38A 1h1dA-5opfA:
undetectable		 1h1dA-5opfA:
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.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		5 ASN A  44
VAL A  46
TYR A 168
GLN A 112
TRP A  65
 None
None
CU  A 308 (-4.9A)
None
None
 1.48A 1h1dA-5tkfA:
undetectable		 1h1dA-5tkfA:
20.76
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ASN A 163
GLY A 117
TYR A 119
ASN A 359
TYR A 138
 None
 1.43A 1h1dA-6b6lA:
1.3		 1h1dA-6b6lA:
13.45
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ASN A 730
VAL A 731
GLY A 689
GLN A 664
HIS A 688
 None
 1.48A 1h1dA-6fikA:
undetectable		 1h1dA-6fikA:
undetectable