SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XCN'


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.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		9 / 12 ILE A   5
ALA A   7
LYS A  32
ILE A  50
PRO A  55
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.60A 1dhjB-4p68A:
28.6		 1dhjB-4p68A:
96.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		9 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LYS A  32
ILE A  50
PRO A  55
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
None
MTX  A 201 ( 4.5A)
 0.60A 1jolB-4p68A:
28.8		 1jolB-4p68A:
97.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		10 / 12 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LYS A  32
ILE A  50
PRO A  55
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.41A 1re7B-4p68A:
28.3		 1re7B-4p68A:
97.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		9 / 12 ILE A   5
ALA A   7
MET A  20
PHE A  31
LYS A  32
ILE A  50
PRO A  55
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
None
MTX  A 201 ( 4.5A)
 0.69A 1rx8A-4p68A:
30.0		 1rx8A-4p68A:
97.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		5 / 12 ILE A   5
ALA A   7
LYS A  55
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
XCN  A  54 ( 3.1A)
MTX  A 201 (-3.0A)
None
 1.11A 1u70A-4p68A:
20.4		 1u70A-4p68A:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		9 / 12 ILE A   5
ALA A   7
PHE A  31
ILE A  50
PRO A  55
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.34A 2d0kA-4p68A:
28.4		 2d0kA-4p68A:
96.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		6 / 12 ALA A   7
LYS A  32
ILE A  50
PRO A  55
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
None
 0.62A 2qk8A-4p68A:
24.9		 2qk8A-4p68A:
39.75
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.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		7 / 12 ALA A   7
ASP A  27
THR A  46
SER A  49
PRO A  55
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 3.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
None
 0.66A 3cl9A-4p68A:
19.7		 3cl9A-4p68A:
17.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		 3owu STEROID
DELTA-ISOMERASE
(Pseudomonas
putida) 		5 / 11 THR A  71
GLY A  72
PRO A  73
ARG A  75
PRO A  85
 XCN  A  86 ( 3.7A)
None
None
None
XCN  A  86 ( 3.6A)
 0.21A 3t8nD-3owuA:
24.5
3t8nF-3owuA:
24.9		 3t8nD-3owuA:
94.66
3t8nF-3owuA:
94.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		 3owu STEROID
DELTA-ISOMERASE
(Pseudomonas
putida) 		6 / 11 THR A  71
GLY A  72
PRO A  73
ARG A  75
PRO A  85
ASP A 100
 XCN  A  86 ( 3.7A)
None
None
None
XCN  A  86 ( 3.6A)
None
 0.26A 3t8nD-3owuA:
24.5
3t8nF-3owuA:
24.9		 3t8nD-3owuA:
94.66
3t8nF-3owuA:
94.66
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.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		4 / 8 VAL A  72
MET A  42
ILE A  61
ASN A  59
 None
None
None
XCN  A  54 ( 3.0A)
 0.84A 4a97C-4p68A:
undetectable		 4a97C-4p68A:
19.57
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.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		4 / 8 VAL A  72
MET A  42
ILE A  61
ASN A  59
 None
None
None
XCN  A  54 ( 3.0A)
 0.84A 4a97D-4p68A:
undetectable		 4a97D-4p68A:
19.57
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.
4A97_H_ZPCH1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		4 / 8 VAL A  72
MET A  42
ILE A  61
ASN A  59
 None
None
None
XCN  A  54 ( 3.0A)
 0.85A 4a97G-4p68A:
undetectable		 4a97G-4p68A:
19.57
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		4 / 8 VAL A  72
MET A  42
ILE A  61
ASN A  59
 None
None
None
XCN  A  54 ( 3.0A)
 0.83A 4a97I-4p68A:
undetectable		 4a97I-4p68A:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		10 / 12 ILE A   5
ALA A   7
MET A  20
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
PRO A  55
ILE A  94
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 ( 4.3A)
 0.95A 4p3qA-4p68A:
30.5		 4p3qA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		10 / 12 ILE A   5
ALA A   7
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
PRO A  55
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 ( 4.3A)
None
 0.77A 4p3qA-4p68A:
30.5		 4p3qA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		10 / 12 ILE A   5
ALA A   7
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
PRO A  55
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
None
MTX  A 201 ( 4.5A)
 0.50A 5eajB-4p68A:
28.8		 5eajB-4p68A:
97.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		7 / 9 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
PRO A  55
ARG A  57
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
 0.37A 5z6lA-4p68A:
29.9		 5z6lA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4p68 DIHYDROFOLATE
REDUCTASE
(Escherichia
coli) 		7 / 9 ILE A   5
ALA A   7
MET A  20
ASP A  27
LYS A  32
PRO A  55
ARG A  57
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
 0.72A 5z6lA-4p68A:
29.9		 5z6lA-4p68A:
98.11