SIMILAR PATTERNS OF AMINO ACIDS FOR 4JTQ_B_FLPB401_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.
1j5y TRANSCRIPTIONAL
REGULATOR, BIOTIN
REPRESSOR FAMILY

(Thermotoga
maritima) 		PF02829
(3H)
PF08279
(HTH_11) 		5 VAL A  77
HIS A 146
VAL A  75
ILE A 150
LEU A  88
 None
NI  A 201 (-3.4A)
None
None
None
 1.26A 4jtqB-1j5yA:
0.0		 4jtqB-1j5yA:
21.08
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) 		6 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ILE A 129
TRP A 227
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
None
None
 0.77A 4jtqB-1q5mA:
52.6		 4jtqB-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.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		5 VAL A 169
TYR A 171
HIS A  27
ILE A  99
LEU A  68
 None
 1.19A 4jtqB-1tg5A:
0.0		 4jtqB-1tg5A:
22.79
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		5 VAL A 115
TYR A  93
ILE A 134
TRP A  99
LEU A 106
 None
 1.46A 4jtqB-1u02A:
0.5		 4jtqB-1u02A:
22.42
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.
1x9j PROBABLE BUTYRATE
KINASE 2

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		5 TYR A 173
HIS A 192
VAL A 300
ILE A 299
LEU A 292
 None
 1.49A 4jtqB-1x9jA:
0.3		 4jtqB-1x9jA:
23.44
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)
 0.73A 4jtqB-2ipfA:
51.9		 4jtqB-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) 		5 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.38A 4jtqB-2ipjA:
55.5		 4jtqB-2ipjA:
99.69
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 308
 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 (-4.5A)
 0.23A 4jtqB-2ipjA:
55.5		 4jtqB-2ipjA:
99.69
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.
2jf3 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 TYR A 223
VAL A 185
TYR A 219
VAL A 169
ILE A 165
 None
 1.41A 4jtqB-2jf3A:
0.0		 4jtqB-2jf3A:
22.32
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.
2nyk M157

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		5 VAL A 123
TYR A 125
HIS A 116
VAL A 121
LEU A  86
 None
 1.41A 4jtqB-2nykA:
undetectable		 4jtqB-2nykA:
23.26
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.
2wym L-ASCORBATE-6-PHOSPH
ATE LACTONASE ULAG

(Escherichia
coli) 		PF13483
(Lactamase_B_3) 		5 VAL A 113
VAL A 131
ILE A 107
TRP A  49
LEU A  43
 None
None
GOL  A1343 (-3.9A)
GOL  A1343 ( 4.9A)
None
 1.25A 4jtqB-2wymA:
0.5		 4jtqB-2wymA:
23.19
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 VAL A 113
VAL A 131
ILE A 107
TRP A  49
LEU A  43
 None
 1.25A 4jtqB-3bv6A:
0.6		 4jtqB-3bv6A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)

(Schistosoma
japonicum) 		PF00248
(Aldo_ket_red) 		5 VAL A  47
TYR A  48
TRP A  79
HIS A 110
LEU A 295
 None
 0.79A 4jtqB-4hbkA:
44.1		 4jtqB-4hbkA:
40.85
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 146
TYR A 145
VAL A 156
ILE A 158
LEU A  93
 None
 1.49A 4jtqB-4j0mA:
undetectable		 4jtqB-4j0mA:
17.23
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.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 TYR A 360
HIS A 237
VAL A 372
ILE A 375
LEU A 319
 None
 1.15A 4jtqB-4zviA:
1.0		 4jtqB-4zviA:
23.65
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.
5eik UNCHARACTERIZED
PROTEIN Y57A10A.28

(Caenorhabditis
elegans) 		PF05197
(TRIC) 		5 VAL A  22
TYR A  21
VAL A 226
ILE A 230
LEU A 129
 None
DMU  A 310 ( 2.9A)
None
None
None
 1.41A 4jtqB-5eikA:
undetectable		 4jtqB-5eikA:
22.38