SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3r20'

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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 6 ALA A  59
LYS A  62
ASP A  66
ALA A  67
LEU A  82
 None
 0.87A 1iwhA-3r20A:
undetectable		 1iwhA-3r20A:
22.41
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 218
GLY A  30
ARG A  27
ASP A  76
ALA A  26
 None
 1.13A 2br4E-3r20A:
undetectable		 2br4E-3r20A:
24.05
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 218
GLY A  30
ARG A  27
ASP A  76
ALA A  26
 None
 1.12A 2br4F-3r20A:
undetectable		 2br4F-3r20A:
24.05
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.
2R5P_D_MK1D902_1
(PROTEASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 201
VAL A  10
GLY A  24
VAL A 144
ILE A 146
 None
 0.94A 2r5pC-3r20A:
undetectable		 2r5pC-3r20A:
18.49
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLU A 130
THR A  36
THR A 136
LEU A 194
 DPO  A 230 ( 4.8A)
None
None
None
 1.11A 4pfjA-3r20A:
2.7		 4pfjA-3r20A:
22.35
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ARG A 155
ARG A 132
ARG A 182
ASP A 186
 None
 1.17A 4xqeA-3r20A:
undetectable		 4xqeA-3r20A:
21.33
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ARG A 155
ARG A 132
ARG A 182
ASP A 186
 None
 1.13A 4xqeB-3r20A:
undetectable		 4xqeB-3r20A:
21.33
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ARG A 132
ARG A 182
ASP A 183
ASP A 186
 None
 0.94A 4xqgA-3r20A:
undetectable		 4xqgA-3r20A:
21.33
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ARG A 155
ARG A 132
ARG A 182
ASP A 186
 None
 1.13A 4xqgA-3r20A:
undetectable		 4xqgA-3r20A:
21.33
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ARG A 132
ARG A 182
ASP A 183
ASP A 186
 None
 0.93A 4xqgB-3r20A:
undetectable		 4xqgB-3r20A:
21.33
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ARG A 155
ARG A 132
ARG A 182
ASP A 186
 None
 1.12A 4xqgB-3r20A:
undetectable		 4xqgB-3r20A:
21.33
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 VAL A  10
LEU A  25
ALA A  26
VAL A 144
ILE A 146
 None
 1.00A 5om2A-3r20A:
undetectable
5om2B-3r20A:
undetectable		 5om2A-3r20A:
15.35
5om2B-3r20A:
9.61
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.
5V96_A_ADNA502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 130
THR A  36
THR A 136
LEU A 194
 DPO  A 230 ( 4.8A)
None
None
None
 1.34A 5v96A-3r20A:
2.4		 5v96A-3r20A:
18.01
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.
5V96_B_ADNB502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 130
THR A  36
THR A 136
LEU A 194
 DPO  A 230 ( 4.8A)
None
None
None
 1.36A 5v96B-3r20A:
2.5		 5v96B-3r20A:
18.01
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.
5V96_C_ADNC502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 130
THR A  36
THR A 136
LEU A 194
 DPO  A 230 ( 4.8A)
None
None
None
 1.34A 5v96C-3r20A:
2.5		 5v96C-3r20A:
18.01
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.
5V96_D_ADND502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 130
THR A  36
THR A 136
LEU A 194
 DPO  A 230 ( 4.8A)
None
None
None
 1.34A 5v96D-3r20A:
2.5		 5v96D-3r20A:
18.01
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  17
VAL A 221
LEU A  29
VAL A 144
ILE A 146
 DPO  A 230 (-3.1A)
None
None
None
None
 0.84A 5vopA-3r20A:
undetectable		 5vopA-3r20A:
23.67
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		 3r20 CYTIDYLATE KINASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ALA A 161
GLN A 162
GLN A 210
ASP A 209
 None
DPO  A 230 (-2.9A)
None
None
 1.39A 5y9aA-3r20A:
2.3		 5y9aA-3r20A:
22.18