SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4r01'

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.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 11 SER A  63
LEU A 143
LEU A 137
LEU A  55
LEU A  87
 None
 1.38A 1mx1B-4r01A:
3.3		 1mx1B-4r01A:
16.67
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.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A  23
ILE A  62
LEU A   3
ASP A 192
THR A 146
 None
 1.02A 1r9oA-4r01A:
undetectable		 1r9oA-4r01A:
17.26
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.94A 1t3rA-4r01A:
undetectable		 1t3rA-4r01A:
21.43
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.
2F81_A_017A302_2
(POL POLYPROTEIN)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.80A 2f81B-4r01A:
undetectable		 2f81B-4r01A:
17.13
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.
2HS2_A_017A201_1
(PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.82A 2hs2A-4r01A:
undetectable		 2hs2A-4r01A:
18.52
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.
2IEN_B_017B402_2
(PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.84A 2ienB-4r01A:
undetectable		 2ienB-4r01A:
17.13
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.
2NNK_A_ROCA401_1
(PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.81A 2nnkA-4r01A:
undetectable		 2nnkA-4r01A:
16.67
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.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		4 / 7 ILE A  62
ILE A  42
PHE A  94
LEU A  50
 None
 0.97A 3adxA-4r01A:
undetectable		 3adxA-4r01A:
24.35
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.
3EM3_B_478B200_1
(PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.85A 3em3A-4r01A:
undetectable		 3em3A-4r01A:
20.95
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.95A 3jvyA-4r01A:
undetectable		 3jvyA-4r01A:
17.13
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.82A 3lzvA-4r01A:
undetectable		 3lzvA-4r01A:
20.95
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 9 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.95A 3oxvA-4r01A:
undetectable		 3oxvA-4r01A:
20.95
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.82A 3oy4B-4r01A:
undetectable		 3oy4B-4r01A:
21.43
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.80A 4dqfB-4r01A:
undetectable		 4dqfB-4r01A:
18.06
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		4 / 7 SER A 179
ALA A 100
SER A 149
ARG A 203
 None
 1.19A 4lv9A-4r01A:
undetectable
4lv9B-4r01A:
undetectable		 4lv9A-4r01A:
17.43
4lv9B-4r01A:
17.43
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A 186
LEU A 190
THR A 146
ILE A 204
LEU A 166
 None
 1.27A 4o5fA-4r01A:
2.4
4o5fB-4r01A:
2.6		 4o5fA-4r01A:
21.45
4o5fB-4r01A:
21.45
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 9 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.81A 4q1wA-4r01A:
undetectable		 4q1wA-4r01A:
21.43
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 11 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.78A 4q1xA-4r01A:
undetectable		 4q1xA-4r01A:
21.43
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.80A 4q1yA-4r01A:
undetectable		 4q1yA-4r01A:
20.95
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		5 / 9 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.79A 5kr0B-4r01A:
undetectable		 5kr0B-4r01A:
16.67
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		 4r01 PUTATIVE NADH-FLAVIN
REDUCTASE
(Streptococcus
pneumoniae) 		6 / 12 LEU A  47
ILE A  80
ALA A   4
LEU A 143
ARG A  93
LEU A  55
 None
 1.44A 6ie8A-4r01A:
undetectable		 6ie8A-4r01A:
24.68