SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3k3q'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 7 PHE B 163
ALA B 218
LEU B 221
VAL B  91
 None
 0.93A 1hk2A-3k3qB:
undetectable		 1hk2A-3k3qB:
17.15
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.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 5 LEU B 151
GLY B 104
ALA B 228
ILE B 111
 None
 0.84A 2aohB-3k3qB:
undetectable		 2aohB-3k3qB:
19.59
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3k3q LLAMA AA1 VHH DOMAIN
(Lama
glama) 		4 / 6 ARG A  68
GLU A  71
PRO A 118
ALA A  64
 None
 1.31A 2ejfB-3k3qA:
undetectable		 2ejfB-3k3qA:
21.76
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.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		5 / 11 ILE B  45
ASP B  49
ILE B 135
ASN B  26
ILE B  24
 None
 1.25A 3kpcA-3k3qB:
undetectable		 3kpcA-3k3qB:
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.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 HIS B 227
HIS B 230
ILE B 226
 ZN  B 251 (-3.3A)
None
None
 0.85A 3u52A-3k3qB:
undetectable
3u52C-3k3qB:
undetectable		 3u52A-3k3qB:
18.29
3u52C-3k3qB:
22.38
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.
4EAH_A_ACTA1002_0
(ACTIN, ALPHA
SKELETAL MUSCLE
FORMIN-LIKE PROTEIN
3)		 3k3q LLAMA AA1 VHH DOMAIN
BOTULINUM NEUROTOXIN
TYPE A
(Lama
glama;
Clostridium
botulinum) 		4 / 5 ARG B 105
THR A 117
GLU A  71
THR A  44
 None
 1.49A 4eahA-3k3qB:
0.0
4eahE-3k3qB:
0.0
4eahG-3k3qB:
undetectable		 4eahA-3k3qB:
20.05
4eahE-3k3qB:
20.05
4eahG-3k3qB:
21.93
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.
4LF7_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 TYR B 233
ARG B 113
SER B 110
 None
 1.21A 4lf7I-3k3qB:
undetectable
4lf7J-3k3qB:
undetectable		 4lf7I-3k3qB:
18.95
4lf7J-3k3qB:
20.00
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.
4LF8_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 TYR B 233
ARG B 113
SER B 110
 None
 1.21A 4lf8I-3k3qB:
undetectable
4lf8J-3k3qB:
undetectable		 4lf8I-3k3qB:
18.95
4lf8J-3k3qB:
20.00
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.
4W9N_C_CCSC1548_0
(ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 ALA B  35
TRP B  43
VAL B  44
 None
 0.18A 4w9nC-3k3qB:
undetectable		 4w9nC-3k3qB:
22.25
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.
5IEN_A_VDYA201_2
(CDL2.2)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		5 / 12 ILE B 153
LEU B 107
ILE B 111
LEU B 232
GLY B 181
 None
 0.89A 5ienA-3k3qB:
undetectable		 5ienA-3k3qB:
20.96
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.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3k3q LLAMA AA1 VHH DOMAIN
(Lama
glama) 		4 / 5 GLY A  13
THR A  14
GLY A 122
LEU A  95
 None
 0.86A 5jlcA-3k3qA:
undetectable		 5jlcA-3k3qA:
14.06
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 4 LEU B  94
ASP B 216
PRO B 217
ARG B  97
 None
 1.43A 6fgdA-3k3qB:
2.3		 6fgdA-3k3qB:
20.37
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3k3q BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 5 GLY B 181
LEU B 175
SER B 167
GLN B 184
 None
 1.00A 6ji6A-3k3qB:
undetectable		 6ji6A-3k3qB:
21.35