SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kqf'

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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  38
LEU A  35
LEU A  32
ARG A  73
LEU A 117
 None
 1.34A 1a28B-3kqfA:
undetectable		 1a28B-3kqfA:
23.33
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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 GLY A 144
GLU A 116
LEU A 139
ARG A  73
GLY A 112
 None
 1.39A 1i7qA-3kqfA:
undetectable		 1i7qA-3kqfA:
20.31
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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 ILE A 141
GLY A 144
GLU A 116
ARG A  73
GLY A 113
 None
 1.11A 1i7qA-3kqfA:
undetectable		 1i7qA-3kqfA:
20.31
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.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 10 ILE A 141
GLY A 144
GLU A 116
ARG A  73
GLY A 113
 None
 1.12A 1i7qC-3kqfA:
undetectable		 1i7qC-3kqfA:
20.31
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		6 / 11 GLY A 112
GLY A  67
ILE A  88
LEU A  30
GLY A 147
THR A 135
 None
 1.42A 1jg3A-3kqfA:
undetectable		 1jg3A-3kqfA:
23.13
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		6 / 11 GLY A 112
GLY A  67
ILE A  88
LEU A  30
GLY A 147
THR A 135
 None
 1.40A 1jg3B-3kqfA:
undetectable		 1jg3B-3kqfA:
23.13
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 10 ALA A 104
LEU A  42
LEU A  38
SER A 118
LEU A 117
 None
 1.34A 2ceoB-3kqfA:
undetectable		 2ceoB-3kqfA:
21.28
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 9 LEU A 117
ILE A  88
ALA A 145
GLY A 133
LEU A 134
 None
 1.22A 2v0mB-3kqfA:
undetectable		 2v0mB-3kqfA:
19.79
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 9 PRO A 143
GLY A 133
ARG A 169
ILE A 109
GLY A 113
 None
 1.40A 3csjB-3kqfA:
undetectable		 3csjB-3kqfA:
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 7 ILE A  88
GLY A 114
VAL A  95
LEU A  34
 None
 0.90A 3elzA-3kqfA:
undetectable		 3elzA-3kqfA:
20.28
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 THR A  91
GLY A 114
ILE A  88
ASN A  28
LEU A 132
 None
 1.16A 3q87B-3kqfA:
undetectable		 3q87B-3kqfA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 ALA A  68
GLU A 116
GLU A 136
ALA A 145
 None
 0.40A 3r9sA-3kqfA:
28.1		 3r9sA-3kqfA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 ALA A  68
GLU A 116
GLU A 136
ALA A 145
 None
 0.37A 3r9sC-3kqfA:
27.5		 3r9sC-3kqfA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_A_BEZA264_0
(ECHA1_1)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 8 ALA A  68
GLU A 116
GLU A 136
ALA A 145
 None
 0.41A 3r9tA-3kqfA:
28.0		 3r9tA-3kqfA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_C_BEZC264_0
(ECHA1_1)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 5 ALA A  68
GLU A 116
GLU A 136
ALA A 145
 None
 0.42A 3r9tC-3kqfA:
28.0		 3r9tC-3kqfA:
34.29
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.
3SI7_C_ACTC4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 4 GLY A  67
GLY A 112
THR A 135
LEU A 139
 None
 0.87A 3si7C-3kqfA:
undetectable
3si7D-3kqfA:
undetectable		 3si7C-3kqfA:
22.80
3si7D-3kqfA:
22.80
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 5 LEU A 119
LEU A 134
GLY A 133
GLY A 112
 None
 0.70A 3si7C-3kqfA:
undetectable
3si7D-3kqfA:
undetectable		 3si7C-3kqfA:
22.80
3si7D-3kqfA:
22.80
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 ILE A 103
PHE A 123
ALA A 194
GLU A 196
VAL A  53
 None
 1.04A 3tmzA-3kqfA:
undetectable		 3tmzA-3kqfA:
20.00
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  38
GLY A 112
GLY A 114
LEU A  21
GLY A 147
 None
 0.96A 3uq6A-3kqfA:
undetectable		 3uq6A-3kqfA:
21.22
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.
4P65_K_IPHK101_0
(INSULIN)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  42
LEU A  35
ILE A   7
LEU A  56
LEU A 117
 None
 1.02A 4p65F-3kqfA:
undetectable
4p65H-3kqfA:
undetectable
4p65K-3kqfA:
undetectable
4p65L-3kqfA:
undetectable		 4p65F-3kqfA:
8.30
4p65H-3kqfA:
8.30
4p65K-3kqfA:
8.07
4p65L-3kqfA:
8.30
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A 190
GLU A  61
GLY A  60
ALA A  59
ASN A  22
 None
 1.34A 4pclB-3kqfA:
undetectable		 4pclB-3kqfA:
22.66
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.
4WG0_E_CHDE104_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 GLU A 116
ALA A 120
LEU A 117
LEU A  30
LEU A  35
 None
 0.99A 4wg0C-3kqfA:
undetectable
4wg0D-3kqfA:
undetectable
4wg0E-3kqfA:
undetectable		 4wg0C-3kqfA:
4.86
4wg0D-3kqfA:
4.86
4wg0E-3kqfA:
4.86
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.
4WG0_G_CHDG103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 GLU A 116
ALA A 120
LEU A 117
LEU A  30
LEU A  35
 None
 0.99A 4wg0E-3kqfA:
undetectable
4wg0F-3kqfA:
undetectable
4wg0G-3kqfA:
undetectable		 4wg0E-3kqfA:
4.86
4wg0F-3kqfA:
4.86
4wg0G-3kqfA:
4.86
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  56
GLY A 114
GLY A  67
ASN A  28
CYH A 121
 None
 1.30A 4x61A-3kqfA:
2.6		 4x61A-3kqfA:
17.72
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 GLY A 113
GLY A  67
GLU A 116
ILE A  88
ILE A 141
 None
 1.24A 4zvmA-3kqfA:
undetectable
4zvmB-3kqfA:
undetectable		 4zvmA-3kqfA:
21.86
4zvmB-3kqfA:
21.86
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 LEU A  98
VAL A  54
LEU A  56
VAL A  17
 None
 0.89A 5x7zA-3kqfA:
undetectable		 5x7zA-3kqfA:
23.02
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 GLN A 173
VAL A 184
LEU A 132
ILE A 170
ALA A 175
 None
 1.37A 5xprA-3kqfA:
undetectable		 5xprA-3kqfA:
17.62
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.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		 3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 5 LEU A 132
THR A 115
THR A 135
GLY A 112
 None
 1.29A 6gtqA-3kqfA:
undetectable		 6gtqA-3kqfA:
23.97