SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4u4l'

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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 12 LEU A  78
ALA A 141
VAL A 196
MET A 129
HIS A 133
 None
 1.24A 1kt4A-4u4lA:
undetectable		 1kt4A-4u4lA:
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.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 11 LEU A 180
ILE A 109
ILE A  79
VAL A  89
VAL A 247
 None
 0.99A 3w67A-4u4lA:
2.4		 3w67A-4u4lA:
24.34
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		4 / 6 HIS A 120
SER A 249
ASP A  95
ASP A  90
 ZN  A 301 (-3.3A)
ZN  A 302 ( 4.3A)
None
None
 1.27A 4blvA-4u4lA:
undetectable		 4blvA-4u4lA:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_A_X8ZA350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 9 HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.23A 4c1dA-4u4lA:
32.4		 4c1dA-4u4lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		6 / 10 HIS A 120
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.25A 4c1dB-4u4lA:
32.4		 4c1dB-4u4lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 10 TRP A  93
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 None
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 1.08A 4c1dB-4u4lA:
32.4		 4c1dB-4u4lA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		7 / 11 HIS A 120
HIS A 122
ASP A 124
HIS A 189
CYH A 208
LYS A 211
HIS A 250
 ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 4.8A)
3C7  A 303 ( 2.8A)
 0.53A 4c1fA-4u4lA:
30.7
4c1fB-4u4lA:
30.3		 4c1fA-4u4lA:
32.79
4c1fB-4u4lA:
32.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 11 VAL A  73
HIS A 120
ASP A 124
HIS A 189
CYH A 208
 3C7  A 303 ( 4.8A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
 1.21A 4c1fA-4u4lA:
30.7
4c1fB-4u4lA:
30.3		 4c1fA-4u4lA:
32.79
4c1fB-4u4lA:
32.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		8 / 9 TRP A  93
HIS A 120
HIS A 122
ASP A 124
HIS A 189
CYH A 208
GLY A 219
HIS A 250
 None
ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
None
3C7  A 303 ( 2.8A)
 0.45A 4c1hA-4u4lA:
32.1		 4c1hA-4u4lA:
32.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EXS_A_X8ZA301_1
(BETA-LACTAMASE NDM-1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		8 / 9 MET A  67
VAL A  73
TRP A  93
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 3C7  A 303 ( 3.5A)
3C7  A 303 ( 4.8A)
None
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.31A 4exsA-4u4lA:
42.8		 4exsA-4u4lA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		7 / 8 VAL A  73
TRP A  93
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 3C7  A 303 ( 4.8A)
None
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.22A 4exsB-4u4lA:
42.6		 4exsB-4u4lA:
99.59
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 12 GLY A 197
LEU A 180
ASP A  90
VAL A  80
PHE A 177
 None
 1.03A 4wnwA-4u4lA:
undetectable		 4wnwA-4u4lA:
20.42
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 12 PHE A 236
GLY A 197
LEU A  78
HIS A  61
THR A  91
 None
 1.15A 4ze1A-4u4lA:
undetectable		 4ze1A-4u4lA:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		7 / 8 VAL A  73
TRP A  93
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 3C7  A 303 ( 4.8A)
None
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.39A 5a5zA-4u4lA:
42.6		 5a5zA-4u4lA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		6 / 7 MET A  67
HIS A 189
CYH A 208
LYS A 211
GLY A 219
HIS A 250
 3C7  A 303 ( 3.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 4.8A)
None
3C7  A 303 ( 2.8A)
 0.83A 5a5zC-4u4lA:
42.5		 5a5zC-4u4lA:
99.59
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 11 HIS A 120
HIS A 122
ASP A 124
HIS A 189
HIS A 250
 ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
3C7  A 303 ( 2.8A)
 0.79A 5ayaA-4u4lA:
17.8		 5ayaA-4u4lA:
25.51
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.
5ECM_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		4 / 5 THR A  91
ALA A  92
THR A  98
HIS A  61
 None
 1.35A 5ecmA-4u4lA:
undetectable		 5ecmA-4u4lA:
19.04
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		3 / 3 SER A  75
SER A  63
PHE A 205
 ZN  A 302 ( 4.9A)
None
None
 0.88A 5mugA-4u4lA:
2.5		 5mugA-4u4lA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		7 / 8 MET A  67
TRP A  93
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 3C7  A 303 ( 3.5A)
None
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.55A 5zj8A-4u4lA:
42.9		 5zj8A-4u4lA:
100.00
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.
6DH0_A_017A101_1
(PROTEASE)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 12 GLY A 200
ASP A  82
VAL A  80
LEU A  87
VAL A  58
 None
 1.03A 6dh0B-4u4lA:
undetectable		 6dh0B-4u4lA:
15.97
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.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4u4l BETA-LACTAMASE NDM-1
(Klebsiella
pneumoniae) 		5 / 12 PHE A 236
GLY A 197
LEU A  78
HIS A  61
THR A  91
 None
 1.17A 6e8qA-4u4lA:
undetectable		 6e8qA-4u4lA:
13.41