SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4rye'

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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.27A 1ghmA-4ryeA:
20.9		 1ghmA-4ryeA:
22.84
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.34A 1i2wA-4ryeA:
22.2		 1i2wA-4ryeA:
24.01
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
GLY A 232
 None
 0.30A 1i2wB-4ryeA:
22.2		 1i2wB-4ryeA:
24.01
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.
1KGL_A_RTLA175_1
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  37
THR A 274
TRP A  45
MET A 256
 None
 1.22A 1kglA-4ryeA:
0.8		 1kglA-4ryeA:
17.58
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.21A 1ymxA-4ryeA:
21.9		 1ymxA-4ryeA:
25.86
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.21A 1ymxB-4ryeA:
21.6		 1ymxB-4ryeA:
25.86
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.
2AB2_B_SNLB503_2
(MINERALOCORTICOID
RECEPTOR)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 116
LEU A 117
LEU A  85
LEU A  83
 None
 1.03A 2ab2B-4ryeA:
undetectable		 2ab2B-4ryeA:
22.19
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 168
SER A 172
THR A 161
GLY A 173
HIS A 159
 None
 1.33A 2hmaA-4ryeA:
undetectable		 2hmaA-4ryeA:
23.42
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 8 THR A 162
PRO A 163
SER A 164
ALA A  98
 None
 0.92A 2v32A-4ryeA:
undetectable
2v32B-4ryeA:
undetectable		 2v32A-4ryeA:
22.90
2v32B-4ryeA:
22.90
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 8 THR A 162
PRO A 163
SER A 164
ALA A  98
 None
 0.95A 2v32A-4ryeA:
undetectable
2v32B-4ryeA:
undetectable		 2v32A-4ryeA:
22.90
2v32B-4ryeA:
22.90
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 8 ALA A 189
ALA A 187
GLY A 228
ALA A 194
 None
 0.88A 2vh3B-4ryeA:
undetectable		 2vh3B-4ryeA:
17.18
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.
3A50_D_VD3D2001_1
(VITAMIN D
HYDROXYLASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 120
LEU A  74
ILE A  71
ALA A  68
THR A 240
 None
 1.12A 3a50D-4ryeA:
undetectable		 3a50D-4ryeA:
23.92
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.
3FI0_K_TRPK1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 9 GLN A  61
HIS A 178
ASP A 179
ILE A 183
VAL A 242
 None
 1.35A 3fi0K-4ryeA:
undetectable		 3fi0K-4ryeA:
21.41
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.
3FI0_M_TRPM1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 9 GLN A  61
HIS A 178
ASP A 179
ILE A 183
VAL A 242
 None
 1.32A 3fi0M-4ryeA:
undetectable		 3fi0M-4ryeA:
21.41
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.29A 3hlwA-4ryeA:
21.8		 3hlwA-4ryeA:
25.52
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.31A 3hlwB-4ryeA:
21.4		 3hlwB-4ryeA:
25.52
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A  72
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.30A 3huoA-4ryeA:
21.4		 3huoA-4ryeA:
25.52
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_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 247
ILE A 254
THR A 231
 None
 0.67A 3ia4D-4ryeA:
undetectable		 3ia4D-4ryeA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
LYS A  72
ASN A 126
LEU A 166
THR A 231
GLY A 232
 None
 0.48A 3mzeA-4ryeA:
33.6		 3mzeA-4ryeA:
32.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
LYS A  72
ASN A 126
THR A 231
GLY A 232
THR A 234
 None
 0.63A 3mzeA-4ryeA:
33.6		 3mzeA-4ryeA:
32.69
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A  79
GLU A  82
LEU A 136
ILE A  71
LEU A 120
 None
 1.08A 3olsB-4ryeA:
undetectable		 3olsB-4ryeA:
21.77
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.34A 3q07A-4ryeA:
21.8		 3q07A-4ryeA:
25.52
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.24A 3q07B-4ryeA:
21.6		 3q07B-4ryeA:
25.52
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 165
GLN A 139
ALA A  76
ASP A 118
ASN A 126
 None
 1.30A 3qowA-4ryeA:
undetectable		 3qowA-4ryeA:
20.24
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.29A 3sh8A-4ryeA:
22.5		 3sh8A-4ryeA:
25.77
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.33A 3sh8B-4ryeA:
22.1		 3sh8B-4ryeA:
25.77
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 120
GLY A 119
PHE A 193
ASN A 215
 None
 1.18A 3uq6B-4ryeA:
undetectable		 3uq6B-4ryeA:
22.02
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 184
PHE A 193
ALA A 194
LEU A  50
 None
 1.06A 4ejgA-4ryeA:
undetectable		 4ejgA-4ryeA:
18.64
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 LYS A  72
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.40A 4euzA-4ryeA:
21.4		 4euzA-4ryeA:
21.31
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A 124
ASN A 126
LEU A 166
LYS A 230
THR A 231
GLY A 232
 None
 0.81A 4euzA-4ryeA:
21.4		 4euzA-4ryeA:
21.31
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.28A 4n9kA-4ryeA:
22.3		 4n9kA-4ryeA:
26.19
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 12 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.33A 4n9kB-4ryeA:
22.3		 4n9kB-4ryeA:
26.19
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 9 VAL A 192
ALA A 194
THR A 197
VAL A  73
ALA A  76
 None
 1.33A 4oqrA-4ryeA:
undetectable		 4oqrA-4ryeA:
23.80
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.70A 4pm7A-4ryeA:
21.9		 4pm7A-4ryeA:
24.75
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 291
THR A  44
ALA A 255
VAL A 253
ALA A  48
 None
 1.16A 4x1iB-4ryeA:
undetectable		 4x1iB-4ryeA:
20.62
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.21A 5ghyA-4ryeA:
21.9		 5ghyA-4ryeA:
25.09
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.20A 5ghyB-4ryeA:
22.0		 5ghyB-4ryeA:
25.09
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 11 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.30A 5ghzA-4ryeA:
22.1		 5ghzA-4ryeA:
25.09
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		7 / 10 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.28A 5ghzB-4ryeA:
22.1		 5ghzB-4ryeA:
25.09
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.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A  70
SER A 172
GLY A 173
ALA A 160
THR A 161
 None
 1.26A 5l5zV-4ryeA:
undetectable
5l5zb-4ryeA:
undetectable		 5l5zV-4ryeA:
23.76
5l5zb-4ryeA:
21.38
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A  70
SER A 172
GLY A 173
ALA A 160
THR A 161
 None
 1.26A 5l5zH-4ryeA:
undetectable
5l5zN-4ryeA:
undetectable		 5l5zH-4ryeA:
23.76
5l5zN-4ryeA:
21.38
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.
5LF3_B_BO2B305_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A  70
SER A 172
GLY A 173
ALA A 160
THR A 161
 None
 1.27A 5lf3b-4ryeA:
undetectable		 5lf3b-4ryeA:
22.58
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  37
THR A 274
TRP A  45
MET A 256
 None
 1.17A 5ljcA-4ryeA:
undetectable		 5ljcA-4ryeA:
15.99
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.
5LJE_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		4 / 6 ILE A  37
THR A 274
TRP A  45
MET A 256
 None
 1.15A 5ljeA-4ryeA:
undetectable		 5ljeA-4ryeA:
15.99
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A  42
ALA A 189
ALA A 194
THR A 197
THR A 240
 None
 1.15A 5tl8A-4ryeA:
undetectable		 5tl8A-4ryeA:
20.65
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
ASP A 167
 None
 1.46A 6b68B-4ryeA:
21.7		 6b68B-4ryeA:
15.83
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
ASP A 167
 None
 1.45A 6b69A-4ryeA:
21.7
6b69B-4ryeA:
21.7		 6b69A-4ryeA:
15.83
6b69B-4ryeA:
15.83
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
ASP A 167
 None
 1.45A 6b6aD-4ryeA:
21.9		 6b6aD-4ryeA:
15.83
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
 None
 0.39A 6b6cA-4ryeA:
21.7		 6b6cA-4ryeA:
15.83
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		6 / 12 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
ASP A 167
 None
 1.46A 6b6fA-4ryeA:
21.6		 6b6fA-4ryeA:
15.83
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 12 SER A  87
ASN A 190
ASP A  84
ASP A  81
LYS A 149
 None
 1.33A 6dwnB-4ryeA:
undetectable		 6dwnB-4ryeA:
13.75
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.
6QGB_A_BEZA701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 229
LEU A 121
ALA A  76
ALA A 187
PHE A 193
 None
 1.12A 6qgbA-4ryeA:
undetectable		 6qgbA-4ryeA:
21.03
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.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 229
LEU A 121
ALA A  76
ALA A 187
PHE A 193
 None
 1.10A 6qgbE-4ryeA:
undetectable		 6qgbE-4ryeA:
21.03
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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE A 227
LEU A 121
GLY A 243
MET A 188
ALA A 187
 None
 1.25A 6r2eF-4ryeA:
undetectable		 6r2eF-4ryeA:
21.13