SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZC_C_ACTC407

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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 ILE A 447
ILE A 462
ARG A 465
TYR A 452
 None
 1.24A 4zzcC-1csjA:
0.2		 4zzcC-1csjA:
21.04
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.
1fbt FRUCTOSE-2,6-BISPHOS
PHATASE

(Rattus
norvegicus) 		PF00300
(His_Phos_1) 		4 ILE A 128
ILE A   3
ARG A   1
TYR A 152
 None
 1.49A 4zzcC-1fbtA:
undetectable		 4zzcC-1fbtA:
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ILE A 701
ILE A 610
ARG A 597
TYR A 700
 None
 1.41A 4zzcC-1xfdA:
0.0		 4zzcC-1xfdA:
17.91
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		4 ILE A 250
ILE A 164
ARG A 127
TYR A 248
 None
 1.24A 4zzcC-2c1cA:
1.2		 4zzcC-2c1cA:
23.68
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.
2f4n HYPOTHETICAL PROTEIN
MJ1651

(Methanocaldococcus
jannaschii) 		PF01887
(SAM_adeno_trans) 		4 ILE A 151
ILE A 125
ARG A 123
TYR A 103
 None
 1.22A 4zzcC-2f4nA:
undetectable		 4zzcC-2f4nA:
20.36
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ILE A1153
ILE A1167
ARG A1160
TYR A1102
 None
 1.48A 4zzcC-2vxrA:
0.0		 4zzcC-2vxrA:
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.
3clo TRANSCRIPTIONAL
REGULATOR

(Bacteroides
thetaiotaomicron) 		PF00196
(GerE) 		4 ILE A  86
ILE A  90
ARG A  99
TYR A 160
 None
 1.44A 4zzcC-3cloA:
0.0		 4zzcC-3cloA:
23.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3igq GLR4197 PROTEIN

(Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 ILE A  73
ILE A  76
ARG A  85
TYR A 102
 NA  A 801 ( 4.4A)
ACY  A 701 (-4.5A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.50A 4zzcC-3igqA:
24.6		 4zzcC-3igqA:
68.59
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.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 220
ILE A 177
ARG A 207
TYR A 230
 None
 1.39A 4zzcC-4emwA:
0.0		 4zzcC-4emwA:
22.37
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.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ILE A 122
ILE A 118
ARG A  10
TYR A 106
 None
 1.18A 4zzcC-4jr7A:
1.6		 4zzcC-4jr7A:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5t PROTON-GATED ION
CHANNEL,GLRA1
PROTEIN,GLRA1
PROTEIN

(Homo sapiens;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ILE A  73
ILE A  76
ARG A  85
TYR A 102
 None
None
CL  A 502 (-4.3A)
None
 0.21A 4zzcC-4x5tA:
34.7		 4zzcC-4x5tA:
71.91
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ILE A 822
ILE A 801
ARG A 834
TYR A 691
 None
FMT  A1022 ( 4.4A)
FMT  A1022 (-3.6A)
None
 1.07A 4zzcC-5hjrA:
undetectable		 4zzcC-5hjrA:
17.61
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.
5kk1 ASPA

(Sulfolobus sp.
NOB8H2) 		no annotation 4 ILE C  66
ILE C  45
ARG C  49
TYR C  68
 None
 1.47A 4zzcC-5kk1C:
undetectable		 4zzcC-5kk1C:
12.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 4 ILE A  72
ILE A  75
ARG A  84
TYR A 101
 None
None
CL  A 504 (-4.7A)
None
 0.41A 4zzcC-5osbA:
34.3		 4zzcC-5osbA:
70.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 ILE C  73
ILE C  76
ARG C  85
TYR C 102
 None
 0.70A 4zzcC-5v6nC:
36.3		 4zzcC-5v6nC:
98.71
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.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 4 ILE A  51
ILE A  36
ARG A  62
TYR A 115
 None
 1.16A 4zzcC-5x1tA:
1.4		 4zzcC-5x1tA:
undetectable