SIMILAR PATTERNS OF AMINO ACIDS FOR 1J78_B_VDYB500_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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 GLU A 456
PHE A  99
TYR A 250
LYS A 253
SER A 111
 CA  A1495 ( 4.3A)
None
None
None
None
 1.26A 1j78B-1hcuA:
0.1		 1j78B-1hcuA:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kw2 VITAMIN D-BINDING
PROTEIN

(Homo sapiens) 		PF00273
(Serum_albumin)
PF09164
(VitD-bind_III) 		9 GLU A  24
VAL A  28
PHE A  40
LEU A  47
TYR A  48
LEU A  63
TYR A  84
SER A  92
MET A 123
 None
 0.44A 1j78B-1kw2A:
51.4		 1j78B-1kw2A:
99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kw2 VITAMIN D-BINDING
PROTEIN

(Homo sapiens) 		PF00273
(Serum_albumin)
PF09164
(VitD-bind_III) 		6 GLU A  24
VAL A  28
PHE A  40
TYR A  48
LYS A  51
TYR A  84
 None
 1.11A 1j78B-1kw2A:
51.4		 1j78B-1kw2A:
99.78
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.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		5 GLU A 165
VAL A 168
PHE A 114
TYR A 207
LEU A 125
 None
 1.43A 1j78B-1n5dA:
1.9		 1j78B-1n5dA:
20.95
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.
2cqv MYOSIN LIGHT CHAIN
KINASE, SMOOTH
MUSCLE AND
NON-MUSCLE ISOZYMES

(Homo sapiens) 		PF07679
(I-set) 		5 VAL A  19
TYR A  78
LYS A  43
LEU A  65
SER A  51
 None
 1.35A 1j78B-2cqvA:
undetectable		 1j78B-2cqvA:
13.73
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.
3cnh HYDROLASE FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 VAL A  27
PHE A  38
LEU A  60
TYR A  59
LEU A  49
 None
 1.49A 1j78B-3cnhA:
0.0		 1j78B-3cnhA:
16.89
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.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE

(Agrobacterium
fabrum) 		PF07366
(SnoaL) 		5 VAL A 113
LEU A  71
TYR A   8
TYR A  43
SER A  14
 None
 1.42A 1j78B-3ehcA:
undetectable		 1j78B-3ehcA:
13.44
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.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 VAL A 244
PHE A 176
LEU A 249
LEU A 169
SER A  75
 MPD  A 401 ( 4.8A)
MPD  A 401 ( 3.7A)
None
None
None
 1.40A 1j78B-3w04A:
1.3		 1j78B-3w04A:
19.83
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		5 VAL A1896
PHE A1880
LEU A1922
TYR A1918
LEU A1872
 None
 1.38A 1j78B-4bxoA:
0.6		 1j78B-4bxoA:
19.22
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.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 VAL A  95
LEU A 297
TYR A 269
LEU A 267
TYR A 114
 None
 1.38A 1j78B-4e51A:
0.0		 1j78B-4e51A:
21.88
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.
4fxb PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLU A 375
LEU A 138
TYR A 154
LEU A 150
SER A 261
 None
 1.41A 1j78B-4fxbA:
1.9		 1j78B-4fxbA:
21.54
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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		5 GLU A 216
VAL A 218
PHE A  49
TYR A 102
LEU A  82
 CA  A 403 ( 2.1A)
PYR  A 402 ( 4.6A)
PYR  A 402 (-4.2A)
PYR  A 402 (-4.4A)
None
 1.47A 1j78B-4petA:
0.0		 1j78B-4petA:
20.04
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		5 GLU A 210
VAL A 212
PHE A  43
TYR A  96
LEU A  76
 NA  A 402 ( 3.2A)
PYR  A 401 ( 4.6A)
PYR  A 401 ( 4.2A)
PYR  A 401 (-4.3A)
None
 1.43A 1j78B-5cm6A:
0.9		 1j78B-5cm6A:
22.08