SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2w2d'

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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		4 / 8 GLU B 479
LEU B 815
ALA B 818
LEU B 819
 None
 0.69A 1hwiD-2w2dB:
undetectable		 1hwiD-2w2dB:
22.79
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		3 / 3 ASP B 469
ASN B 470
THR B 715
 None
 0.79A 2q63B-2w2dB:
undetectable		 2q63B-2w2dB:
12.71
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		5 / 12 LEU B 736
MET B 781
LEU B 788
ASN B 785
ILE B 728
 None
 1.44A 2ydoA-2w2dB:
1.7		 2ydoA-2w2dB:
19.77
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		5 / 12 LEU B 853
SER B 864
LEU B 796
LEU B 862
ARG B 861
 None
 1.41A 3fsuA-2w2dB:
undetectable		 3fsuA-2w2dB:
21.35
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.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		4 / 5 SER B 619
THR B 615
GLU B 620
ASP B 650
 GOL  B1874 ( 4.2A)
GOL  B1874 (-4.8A)
None
None
 1.42A 3tm4A-2w2dB:
undetectable		 3tm4A-2w2dB:
22.10
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.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		4 / 5 SER B 619
THR B 615
GLU B 620
ASP B 650
 GOL  B1874 ( 4.2A)
GOL  B1874 (-4.8A)
None
None
 1.40A 3tm4B-2w2dB:
undetectable		 3tm4B-2w2dB:
22.10
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.
4II8_A_010A210_0
(LYSOZYME C)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		4 / 7 ASP B 613
GLN B 609
ILE B 747
TRP B 606
 None
 1.17A 4ii8A-2w2dB:
undetectable		 4ii8A-2w2dB:
15.16
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.
4P65_A_IPHA101_0
(INSULIN)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		5 / 10 LEU B 815
LEU B 699
ALA B 698
LEU B 837
LEU B 681
 None
 1.19A 4p65A-2w2dB:
undetectable
4p65B-2w2dB:
undetectable
4p65F-2w2dB:
undetectable
4p65H-2w2dB:
undetectable		 4p65A-2w2dB:
6.76
4p65B-2w2dB:
6.14
4p65F-2w2dB:
6.14
4p65H-2w2dB:
6.14
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.
4Y8W_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		3 / 3 LEU B 820
VAL B 834
ASP B 835
 None
SO4  B1872 (-3.4A)
SO4  B1872 (-4.0A)
 0.56A 4y8wC-2w2dB:
undetectable		 4y8wC-2w2dB:
18.48
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.
5JH7_B_6K9B503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		4 / 7 LEU B 853
GLU B 868
ASN B 722
ILE B 725
 None
 1.20A 5jh7C-2w2dB:
undetectable		 5jh7C-2w2dB:
22.47
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.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		4 / 4 GLN B 557
THR B 584
GLU B 617
LEU B 773
 None
 1.43A 5m66A-2w2dB:
undetectable		 5m66A-2w2dB:
20.77
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		 2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN
(Clostridium
botulinum) 		5 / 10 ILE B 784
ILE B 637
ILE B 633
ILE B 632
ILE B 630
 None
 1.07A 5murE-2w2dB:
2.9		 5murE-2w2dB:
11.93