SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qfw'

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.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 LEU A 241
PHE A  60
GLY A  41
TYR A 201
LEU A   9
 None
 1.37A 1brpA-4qfwA:
undetectable		 1brpA-4qfwA:
19.71
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.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 PHE A  60
GLY A  41
TYR A 201
LEU A   9
HIS A 231
 None
 1.23A 1brpA-4qfwA:
undetectable		 1brpA-4qfwA:
19.71
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		4 / 6 PHE A 165
ARG A 178
ASN A 206
GLN A 213
 None
 1.37A 1t9uA-4qfwA:
undetectable		 1t9uA-4qfwA:
14.42
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		4 / 7 GLN A  96
SER A  70
LEU A  12
ILE A  74
 None
 0.79A 3ln1C-4qfwA:
undetectable		 3ln1C-4qfwA:
19.13
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 GLY A  37
ALA A  46
TYR A  76
LEU A   9
TYR A  45
 None
 1.16A 3qxyA-4qfwA:
undetectable		 3qxyA-4qfwA:
20.90
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 11 GLY A  37
ALA A  46
TYR A  76
LEU A   9
TYR A  45
 None
 1.14A 3rc0A-4qfwA:
undetectable		 3rc0A-4qfwA:
20.90
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 GLY A  37
ALA A  46
TYR A  76
LEU A   9
TYR A  45
 None
 1.15A 3rc0B-4qfwA:
undetectable		 3rc0B-4qfwA:
20.90
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.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		4 / 7 PHE A  35
GLY A 200
ILE A 158
LEU A   8
 None
 0.87A 4ejjD-4qfwA:
undetectable		 4ejjD-4qfwA:
21.54
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.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 10 ALA A   4
LEU A   5
GLY A 186
ALA A  43
MET A 104
 None
 1.50A 4fe1A-4qfwA:
undetectable
4fe1J-4qfwA:
undetectable		 4fe1A-4qfwA:
16.10
4fe1J-4qfwA:
9.96
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 7 GLY A  37
VAL A  39
PHE A  60
ILE A  44
PHE A 235
 None
 1.42A 4fglC-4qfwA:
undetectable		 4fglC-4qfwA:
21.48
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.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		3 / 3 TYR A 266
ARG A 237
HIS A 236
 None
 1.02A 4fubA-4qfwA:
undetectable		 4fubA-4qfwA:
23.18
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 11 GLN A  42
ALA A  43
ALA A  46
ALA A  47
THR A  50
 None
 0.96A 4j6cA-4qfwA:
undetectable		 4j6cA-4qfwA:
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 10 GLN A  42
ALA A  43
ALA A  46
ALA A  47
THR A  50
 None
 0.97A 4j6cB-4qfwA:
undetectable		 4j6cB-4qfwA:
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 GLN A  42
ALA A  43
ALA A  46
ALA A  47
THR A  50
 None
 1.00A 4j6dA-4qfwA:
undetectable		 4j6dA-4qfwA:
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.
4J6D_B_TESB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 GLN A  42
ALA A  43
ALA A  46
ALA A  47
THR A  50
 None
 1.01A 4j6dB-4qfwA:
undetectable		 4j6dB-4qfwA:
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 12 GLN A  42
ALA A  43
ALA A  46
ALA A  47
THR A  50
 None
 1.02A 4jbtA-4qfwA:
undetectable		 4jbtA-4qfwA:
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		5 / 11 GLN A  42
ALA A  43
ALA A  46
ALA A  47
THR A  50
 None
 1.01A 4jbtB-4qfwA:
undetectable		 4jbtB-4qfwA:
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 4qfw ACYL-COA
THIOESTERASE II
(Yersinia
pestis) 		4 / 8 THR A 120
PRO A 122
TYR A 179
GLN A 264
 None
 1.04A 5nzyA-4qfwA:
undetectable		 5nzyA-4qfwA:
21.62