SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kw0'

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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		5 / 11 SER A 121
LEU A 123
ILE A  62
ILE A  52
VAL A  54
 None
 1.24A 1pkvA-3kw0A:
undetectable
1pkvB-3kw0A:
undetectable		 1pkvA-3kw0A:
23.81
1pkvB-3kw0A:
23.81
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.
1PKV_B_RBFB101_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		5 / 11 ILE A  52
VAL A  54
SER A 121
LEU A 123
ILE A  62
 None
 1.25A 1pkvA-3kw0A:
undetectable
1pkvB-3kw0A:
undetectable		 1pkvA-3kw0A:
23.81
1pkvB-3kw0A:
23.81
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.
1S9Q_A_CHDA459_0
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 6 ASP A  68
VAL A 136
ILE A 139
TYR A  79
 LYS  A 201 (-2.8A)
None
None
None
 0.89A 1s9qA-3kw0A:
undetectable		 1s9qA-3kw0A:
24.23
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.
1UDU_A_CIAA1003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		5 / 11 TYR A  14
SER A  93
ILE A  18
ILE A 191
PHE A  27
 None
 1.08A 1uduA-3kw0A:
undetectable		 1uduA-3kw0A:
20.99
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.
2BJF_A_DXCA330_0
(CHOLOYLGLYCINE
HYDROLASE)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		5 / 12 PHE A  27
ALA A 183
ASN A   7
ILE A  96
ILE A 194
 None
 1.25A 2bjfA-3kw0A:
undetectable		 2bjfA-3kw0A:
19.53
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.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 4 ILE A  39
PHE A 178
ILE A 139
THR A  50
 None
 1.11A 3ia4A-3kw0A:
undetectable		 3ia4A-3kw0A:
21.08
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 4 GLY A   2
GLU A 180
ASP A 185
ASP A   4
 None
 1.26A 3mb5A-3kw0A:
undetectable		 3mb5A-3kw0A:
20.38
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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 8 PHE A 157
VAL A 158
HIS A  49
SER A  65
 None
None
LYS  A 201 (-3.9A)
None
 0.35A 4eyzA-3kw0A:
1.2		 4eyzA-3kw0A:
23.46
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.
4EYZ_B_CCSB109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 8 PHE A 157
VAL A 158
HIS A  49
SER A  65
 None
None
LYS  A 201 (-3.9A)
None
 0.33A 4eyzB-3kw0A:
undetectable		 4eyzB-3kw0A:
23.46
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		5 / 12 GLY A 119
SER A 121
ASN A 114
GLY A  24
PHE A 162
 None
 1.24A 4obwC-3kw0A:
undetectable		 4obwC-3kw0A:
25.00
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 5 LEU A 141
PHE A 176
ILE A 139
ILE A 153
 None
 0.94A 5dzk4-3kw0A:
undetectable
5dzkg-3kw0A:
undetectable
5dzkm-3kw0A:
undetectable
5dzkn-3kw0A:
undetectable		 5dzk4-3kw0A:
1.65
5dzkg-3kw0A:
20.97
5dzkm-3kw0A:
22.36
5dzkn-3kw0A:
22.36
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.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 6 LEU A  28
THR A  50
CYH A  29
GLY A  51
 None
 1.35A 6gtqB-3kw0A:
undetectable
6gtqD-3kw0A:
undetectable		 6gtqB-3kw0A:
20.70
6gtqD-3kw0A:
10.28