SIMILAR PATTERNS OF AMINO ACIDS FOR 1JNN_H_ESTH350_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.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		5 PHE A  59
ASP A 233
LEU A 230
TYR A  25
TYR A   5
 None
 1.27A 1jnnH-2vpnA:
0.0
1jnnL-2vpnA:
0.0		 1jnnH-2vpnA:
20.77
1jnnL-2vpnA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3go1 FAB 268-D, HEAVY
CHAIN
FAB 268-D, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLU H  95
TYR L  36
LEU L  46
TYR L  49
TYR L  96
 None
 0.80A 1jnnH-3go1H:
22.8
1jnnL-3go1H:
14.2		 1jnnH-3go1H:
51.57
1jnnL-3go1H:
28.33
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 LYS B   9
ASP B   7
LEU B 402
PHE B  14
TYR B  16
 None
None
None
None
HEZ  B 706 (-3.2A)
 1.49A 1jnnH-4hxeB:
0.0
1jnnL-4hxeB:
0.0		 1jnnH-4hxeB:
15.65
1jnnL-4hxeB:
14.31
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.
4rzc FV M6P-1 HEAVY CHAIN

(Oryctolagus
cuniculus) 		no annotation 5 TYR L  36
LEU L  46
TYR L  49
HIS L  89
TYR L  96
 None
 0.66A 1jnnH-4rzcL:
15.7
1jnnL-4rzcL:
19.0		 1jnnH-4rzcL:
22.40
1jnnL-4rzcL:
35.36
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LYS A 137
ASP A 136
TYR A 326
LEU A 139
TYR A 145
 None
None
None
N7I  A 402 (-2.9A)
None
 1.28A 1jnnH-5cvvA:
0.0
1jnnL-5cvvA:
0.0		 1jnnH-5cvvA:
19.45
1jnnL-5cvvA:
21.53
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.
5dbk TRANSCRIPTIONAL
REGULATOR/TPR DOMAIN
PROTEIN

(Bacillus
thuringiensis) 		PF13424
(TPR_12) 		5 GLU A 178
LYS A 176
TYR A 199
LEU A 171
TYR A 192
 None
 1.34A 1jnnH-5dbkA:
undetectable
1jnnL-5dbkA:
undetectable		 1jnnH-5dbkA:
17.07
1jnnL-5dbkA:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lx9 SINGLE-CHAIN
VARIABLE FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		5 GLU H  99
TYR H 175
TYR H 188
PHE H 230
TYR H 235
 None
 0.74A 1jnnH-5lx9H:
21.3
1jnnL-5lx9H:
22.6		 1jnnH-5lx9H:
37.11
1jnnL-5lx9H:
35.90