SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pk0'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		6 / 11 GLY A  13
ASP A  64
VAL A  65
ALA A  92
VAL A  94
VAL A 114
 None
 0.51A 1uayA-3pk0A:
29.2		 1uayA-3pk0A:
30.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		6 / 10 GLY A  13
ASP A  64
VAL A  65
ALA A  92
VAL A  94
VAL A 114
 None
 0.45A 1uayB-3pk0A:
29.9		 1uayB-3pk0A:
30.48
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.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A  63
ALA A  34
THR A  15
GLY A  13
PHE A  82
 None
 0.95A 2y7hB-3pk0A:
4.9		 2y7hB-3pk0A:
18.83
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.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A  63
ALA A  34
THR A  15
GLY A  13
PHE A  82
 None
 0.94A 2y7hC-3pk0A:
5.0		 2y7hC-3pk0A:
18.83
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  92
GLY A  19
ASP A  49
LEU A  50
VAL A  35
 None
 1.11A 3o7wA-3pk0A:
4.7		 3o7wA-3pk0A:
22.15
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.
4AC9_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ILE A  22
ILE A  18
GLY A  17
VAL A 243
GLY A 216
 None
GOL  A 285 ( 3.7A)
None
None
None
 0.90A 4ac9B-3pk0A:
6.7
4ac9C-3pk0A:
6.4		 4ac9B-3pk0A:
20.59
4ac9C-3pk0A:
20.59
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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 228
GLU A 174
GLY A 238
ALA A 240
PHE A 167
 None
 1.19A 4hytA-3pk0A:
5.0		 4hytA-3pk0A:
14.04
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.
4OLB_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		3 / 3 VAL A  58
ALA A  31
PHE A  82
 None
 0.93A 4olbA-3pk0A:
2.8		 4olbA-3pk0A:
16.37
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.
4QVM_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.05A 4qvmK-3pk0A:
undetectable
4qvmL-3pk0A:
undetectable		 4qvmK-3pk0A:
22.96
4qvmL-3pk0A:
21.40
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.
4QW1_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.04A 4qw1K-3pk0A:
undetectable
4qw1L-3pk0A:
undetectable		 4qw1K-3pk0A:
22.47
4qw1L-3pk0A:
21.40
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.
4QW1_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.04A 4qw1Y-3pk0A:
undetectable
4qw1Z-3pk0A:
undetectable		 4qw1Y-3pk0A:
22.47
4qw1Z-3pk0A:
21.40
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.
4QW3_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.03A 4qw3K-3pk0A:
undetectable
4qw3L-3pk0A:
undetectable		 4qw3K-3pk0A:
22.39
4qw3L-3pk0A:
21.40
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.
4QW3_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.03A 4qw3Y-3pk0A:
undetectable
4qw3Z-3pk0A:
undetectable		 4qw3Y-3pk0A:
22.39
4qw3Z-3pk0A:
21.40
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 9 THR A 141
ALA A  90
THR A 119
ALA A 122
GLY A  93
 GOL  A 285 (-4.0A)
None
None
None
GOL  A 285 (-3.4A)
 1.01A 4qwuK-3pk0A:
undetectable
4qwuL-3pk0A:
undetectable		 4qwuK-3pk0A:
22.10
4qwuL-3pk0A:
21.40
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 9 THR A 141
ALA A  90
THR A 119
ALA A 122
GLY A  93
 GOL  A 285 (-4.0A)
None
None
None
GOL  A 285 (-3.4A)
 1.01A 4qwuY-3pk0A:
undetectable
4qwuZ-3pk0A:
undetectable		 4qwuY-3pk0A:
22.10
4qwuZ-3pk0A:
21.40
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.
4W5N_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		3 / 3 VAL A  58
ALA A  31
PHE A  82
 None
 0.91A 4w5nA-3pk0A:
2.5		 4w5nA-3pk0A:
16.37
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 228
GLU A 174
GLY A 238
ALA A 240
PHE A 167
 None
 1.24A 4xe5A-3pk0A:
5.1		 4xe5A-3pk0A:
14.03
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 228
GLU A 174
GLY A 238
PHE A 167
ILE A 185
 None
 1.29A 4xe5A-3pk0A:
5.1		 4xe5A-3pk0A:
14.03
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.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.03A 5bxnK-3pk0A:
undetectable
5bxnL-3pk0A:
undetectable		 5bxnK-3pk0A:
22.10
5bxnL-3pk0A:
21.40
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.
5BXN_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.03A 5bxnY-3pk0A:
undetectable
5bxnZ-3pk0A:
undetectable		 5bxnY-3pk0A:
22.10
5bxnZ-3pk0A:
21.40
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.
5D0X_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.03A 5d0xK-3pk0A:
undetectable
5d0xL-3pk0A:
undetectable		 5d0xK-3pk0A:
22.10
5d0xL-3pk0A:
21.40
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.
5D0X_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.04A 5d0xY-3pk0A:
undetectable
5d0xZ-3pk0A:
undetectable		 5d0xY-3pk0A:
22.10
5d0xZ-3pk0A:
21.40
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.
5FUK_A_SNPA1236_1
(MROUPO)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ILE A  18
THR A 145
ILE A 144
SER A 143
 GOL  A 285 ( 3.7A)
PEG  A 265 ( 4.3A)
None
None
 0.80A 5fukA-3pk0A:
undetectable
5fukB-3pk0A:
undetectable		 5fukA-3pk0A:
24.91
5fukB-3pk0A:
24.91
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.
5OSP_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		4 / 7 VAL A  61
ILE A  59
VAL A  10
ALA A  34
 None
 0.58A 5ospA-3pk0A:
undetectable		 5ospA-3pk0A:
20.81
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.
5OSR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		4 / 7 VAL A  61
ILE A  59
VAL A  10
ALA A  34
 None
 0.60A 5osrA-3pk0A:
undetectable		 5osrA-3pk0A:
20.81
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ALA A 163
SER A 143
THR A 141
GLY A 158
 None
None
GOL  A 285 (-4.0A)
None
 0.84A 5v0vA-3pk0A:
undetectable		 5v0vA-3pk0A:
18.37
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLN A 124
VAL A  65
LEU A 175
ARG A 137
 None
 1.17A 6brdB-3pk0A:
undetectable		 6brdB-3pk0A:
18.99
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.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A 136
VAL A   9
VAL A 139
ALA A 225
LEU A   4
 None
 1.10A 6czmA-3pk0A:
undetectable
6czmC-3pk0A:
undetectable		 6czmA-3pk0A:
24.66
6czmC-3pk0A:
24.66