SIMILAR PATTERNS OF AMINO ACIDS FOR 4JQ1_A_NPSA401_1

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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		5 TYR M 241
TYR M 245
ILE M 125
TRP M 182
LEU M 139
 None
 1.42A 4jq1A-1dwaM:
10.4		 4jq1A-1dwaM:
19.84
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.
1ko6 NUCLEAR PORE COMPLEX
PROTEIN NUP98

(Homo sapiens) 		PF04096
(Nucleoporin2) 		5 VAL A 784
TYR A 785
VAL A 782
ILE A 777
LEU A 766
 None
 1.31A 4jq1A-1ko6A:
0.0		 4jq1A-1ko6A:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ILE A 129
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
None
 0.52A 4jq1A-1q5mA:
52.2		 4jq1A-1q5mA:
78.88
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		5 VAL A 141
HIS A 137
VAL A 128
ILE A 129
LEU A 188
 None
 1.49A 4jq1A-1x1qA:
0.9		 4jq1A-1x1qA:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
None
 0.44A 4jq1A-2fvlA:
52.1		 4jq1A-2fvlA:
81.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
FFA  A   3 (-4.0A)
 0.79A 4jq1A-2ipfA:
51.3		 4jq1A-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		8 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.65A 4jq1A-2ipjA:
55.5		 4jq1A-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TYR A  55
TRP A  86
HIS A 117
TRP A 227
LEU A 306
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
MRD  A 328 (-4.0A)
MRD  A 328 ( 4.3A)
 0.62A 4jq1A-3ln3A:
50.5		 4jq1A-3ln3A:
66.25
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.
5g49 NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT B-6

(Arabidopsis
thaliana) 		PF00808
(CBFD_NFYB_HMF) 		5 VAL A  94
TYR A  97
VAL A  68
ILE A  71
LEU A 138
 None
 1.41A 4jq1A-5g49A:
undetectable		 4jq1A-5g49A:
16.31