SIMILAR PATTERNS OF AMINO ACIDS FOR 4JQA_A_ID8A401_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
 1.32A 4jqaA-1j5yA:
0.0		 4jqaA-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
 0.65A 4jqaA-1q5mA:
52.3		 4jqaA-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
 1.20A 4jqaA-1tg5A:
0.0		 4jqaA-1tg5A:
22.79
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
 0.81A 4jqaA-2fvlA:
52.1		 4jqaA-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)
 0.77A 4jqaA-2ipfA:
51.5		 4jqaA-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)
 1.41A 4jqaA-2ipjA:
55.6		 4jqaA-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)
 0.36A 4jqaA-2ipjA:
55.6		 4jqaA-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.
2nyk M157

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		5 VAL A 123
TYR A 125
HIS A 116
VAL A 121
LEU A  86
 None
 1.47A 4jqaA-2nykA:
undetectable		 4jqaA-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.
2rui LPXTG-SITE
TRANSPEPTIDASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF04203
(Sortase) 		5 VAL A 199
TYR A 197
VAL A 160
ILE A 147
LEU A  90
 None
 1.50A 4jqaA-2ruiA:
0.0		 4jqaA-2ruiA:
18.86
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
 1.28A 4jqaA-3bv6A:
1.2		 4jqaA-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
 0.85A 4jqaA-4hbkA:
43.6		 4jqaA-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.
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
 1.19A 4jqaA-4zviA:
undetectable		 4jqaA-4zviA:
23.65