SIMILAR PATTERNS OF AMINO ACIDS FOR 3DEU_B_SALB302

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.
1lme PEPTIDE DEFORMYLASE

(Thermotoga
maritima) 		PF01327
(Pep_deformylase) 		4 ARG A 142
ILE A 139
VAL A 137
HIS A 133
 None
OCS  A  87 ( 4.6A)
None
OCS  A  87 ( 4.0A)
 1.11A 3deuB-1lmeA:
0.0		 3deuB-1lmeA:
24.87
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ARG A 235
ILE A 236
VAL A 124
HIS A 125
 None
 1.47A 3deuB-1vrqA:
1.4		 3deuB-1vrqA:
10.90
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.
1ydm HYPOTHETICAL PROTEIN
YQGN

(Bacillus
subtilis) 		PF01812
(5-FTHF_cyc-lig) 		4 ARG A 132
ILE A 171
VAL A 173
HIS A 174
 SO4  A 301 (-2.6A)
None
None
None
 1.28A 3deuB-1ydmA:
undetectable		 3deuB-1ydmA:
19.71
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.
2ap9 ACETYLGLUTAMATE
KINASE

(Mycobacterium
tuberculosis) 		PF00696
(AA_kinase) 		4 ARG A 142
ILE A 193
VAL A 156
HIS A 191
 None
 1.35A 3deuB-2ap9A:
0.0		 3deuB-2ap9A:
20.39
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ARG A 236
ILE A 237
VAL A 125
HIS A 126
 None
 1.45A 3deuB-2gahA:
1.0		 3deuB-2gahA:
11.38
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.
2gid MITOCHONDRIAL
RNA-BINDING PROTEIN
1

(Trypanosoma
brucei) 		PF09387
(MRP) 		4 ARG B  83
ILE B  84
VAL B 134
HIS B 132
 None
 1.03A 3deuB-2gidB:
0.0		 3deuB-2gidB:
19.39
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.
2i6j SULFOLOBUS
SOLFATARICUS PROTEIN
TYROSINE PHOSPHATASE

(Sulfolobus
solfataricus) 		PF00102
(Y_phosphatase) 		4 TRP A  45
ILE A  41
VAL A  97
HIS A  95
 None
None
PO4  A2902 ( 4.4A)
None
 1.20A 3deuB-2i6jA:
0.0		 3deuB-2i6jA:
22.29
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		4 TRP A 255
ARG A 279
VAL A 205
HIS A 278
 None
 1.44A 3deuB-3gdbA:
0.0		 3deuB-3gdbA:
11.57
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.
3qo0 FAB FRAGMENT OF
IMMUNOGLOBULIN G1
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG B  74
ILE B  72
VAL B  34
HIS B  35
 None
 1.30A 3deuB-3qo0B:
undetectable		 3deuB-3qo0B:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		4 TRP A  16
ARG A  17
ILE A  20
VAL A  35
 None
 0.82A 3deuB-3qptA:
17.4		 3deuB-3qptA:
94.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		4 TRP A  16
ILE A  20
VAL A  35
HIS A  38
 None
 0.57A 3deuB-3qptA:
17.4		 3deuB-3qptA:
94.16
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.
5j4r WELO5

(Hapalosiphon
welwitschii) 		no annotation 4 ARG A 260
ILE A 161
VAL A 163
HIS A 259
 None
None
None
NI  A 302 ( 3.3A)
 1.40A 3deuB-5j4rA:
undetectable		 3deuB-5j4rA:
16.55