SIMILAR PATTERNS OF AMINO ACIDS FOR 5FVX_B_H4BB760

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.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 258
PHE A 211
MET A 268
VAL A 177
 None
HSO  A 183 ( 3.5A)
None
None
 1.40A 5fvxA-1h3jA:
0.0
5fvxB-1h3jA:
1.4		 5fvxA-1h3jA:
22.59
5fvxB-1h3jA:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 MET A 336
ARG A 596
VAL A 677
TRP A 678
 H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.45A 5fvxA-1lzxA:
61.5
5fvxB-1lzxA:
61.9		 5fvxA-1lzxA:
96.90
5fvxB-1lzxA:
96.90
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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 0.93A 5fvxA-1pduA:
0.0
5fvxB-1pduA:
0.0		 5fvxA-1pduA:
20.53
5fvxB-1pduA:
20.53
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 266
PHE A 261
ARG A 278
VAL A 269
 None
 1.43A 5fvxA-2w4oA:
0.0
5fvxB-2w4oA:
0.9		 5fvxA-2w4oA:
21.36
5fvxB-2w4oA:
21.36
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 TRP A 147
PHE A 117
ARG A 105
VAL A  35
 None
 1.47A 5fvxA-3bitA:
0.8
5fvxB-3bitA:
0.6		 5fvxA-3bitA:
22.64
5fvxB-3bitA:
22.64
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.42A 5fvxA-3ma6A:
0.0
5fvxB-3ma6A:
0.5		 5fvxA-3ma6A:
21.21
5fvxB-3ma6A:
21.21
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 249
PHE A 203
MET A 259
VAL A 169
 None
 1.43A 5fvxA-3q3uA:
0.7
5fvxB-3q3uA:
0.6		 5fvxA-3q3uA:
21.64
5fvxB-3q3uA:
21.64
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 5fvxA-3sxfA:
0.0
5fvxB-3sxfA:
0.5		 5fvxA-3sxfA:
19.81
5fvxB-3sxfA:
19.81
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.38A 5fvxA-4g76A:
0.0
5fvxB-4g76A:
0.0		 5fvxA-4g76A:
20.05
5fvxB-4g76A:
20.05
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 TRP A 267
PHE A 268
ARG A 280
VAL A 309
 None
 1.19A 5fvxA-4xj5A:
undetectable
5fvxB-4xj5A:
2.1		 5fvxA-4xj5A:
22.63
5fvxB-4xj5A:
22.63
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.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		4 PHE A 221
MET A 186
VAL A  55
TRP A  58
 None
 1.44A 5fvxA-5d5tA:
0.0
5fvxB-5d5tA:
0.6		 5fvxA-5d5tA:
22.09
5fvxB-5d5tA:
22.09
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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 TRP H  49
MET H 105
VAL D  98
TRP D  91
 None
 1.07A 5fvxA-5xwdH:
undetectable
5fvxB-5xwdH:
undetectable		 5fvxA-5xwdH:
13.62
5fvxB-5xwdH:
13.62