SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dfy'

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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		4 / 8 GLY A 291
ILE A 290
VAL A 157
ILE A 186
 None
 0.66A 1d4yB-3dfyA:
undetectable		 1d4yB-3dfyA:
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 9 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.84A 1hxwA-3dfyA:
undetectable		 1hxwA-3dfyA:
16.61
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.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 GLU A 146
LYS A 159
VAL A 135
 None
MG  A 401 ( 4.1A)
None
 0.83A 1l2iA-3dfyA:
undetectable		 1l2iA-3dfyA:
23.16
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_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 VAL A  35
LEU A   9
LEU A  92
LEU A  98
ILE A  74
 None
 0.80A 1mx1D-3dfyA:
undetectable		 1mx1D-3dfyA:
20.67
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 11 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.81A 1ohrA-3dfyA:
undetectable		 1ohrA-3dfyA:
17.29
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.81A 2avvB-3dfyA:
undetectable		 2avvB-3dfyA:
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.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 SER A  52
HIS A  21
ASP A 169
 None
 0.85A 2oxtA-3dfyA:
undetectable		 2oxtA-3dfyA:
20.77
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.
2R5P_D_MK1D902_2
(PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.84A 2r5pD-3dfyA:
undetectable		 2r5pD-3dfyA:
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.
2R5Q_B_1UNB900_2
(PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 11 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.66A 2r5qB-3dfyA:
undetectable		 2r5qB-3dfyA:
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 MET A 267
VAL A 250
GLU A 216
 None
None
MG  A 401 (-2.9A)
 0.77A 2x9gA-3dfyA:
undetectable		 2x9gA-3dfyA:
22.34
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.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.84A 3d1xA-3dfyA:
undetectable		 3d1xA-3dfyA:
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.83A 3d1yA-3dfyA:
undetectable		 3d1yA-3dfyA:
16.29
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.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 10 ILE A  37
LYS A  44
GLY A  45
SER A 111
SER A  41
 None
 1.11A 3ik6B-3dfyA:
undetectable
3ik6E-3dfyA:
undetectable		 3ik6B-3dfyA:
25.58
3ik6E-3dfyA:
25.58
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 11 ILE A  37
LYS A  44
GLY A  45
SER A 111
SER A  41
 None
 1.18A 3iluB-3dfyA:
undetectable
3iluE-3dfyA:
undetectable		 3iluB-3dfyA:
25.58
3iluE-3dfyA:
25.58
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.82A 3k4vB-3dfyA:
undetectable		 3k4vB-3dfyA:
16.29
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 ASP A 317
ASN A 263
SER A 320
 None
 0.91A 3lslA-3dfyA:
undetectable
3lslD-3dfyA:
undetectable		 3lslA-3dfyA:
25.58
3lslD-3dfyA:
25.58
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.
3NDT_A_ROCA101_1
(PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.87A 3ndtA-3dfyA:
undetectable		 3ndtA-3dfyA:
16.29
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.
3NDX_A_RITA100_2
(PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 11 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.78A 3ndxB-3dfyA:
undetectable		 3ndxB-3dfyA:
16.29
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 8 ALA A 100
GLN A 103
LEU A 266
ASP A 273
ASP A  90
 None
 1.43A 3qj7A-3dfyA:
undetectable
3qj7D-3dfyA:
undetectable		 3qj7A-3dfyA:
19.47
3qj7D-3dfyA:
19.47
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.
3TL9_A_ROCA401_1
(PROTEASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.85A 3tl9A-3dfyA:
undetectable		 3tl9A-3dfyA:
16.61
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)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		4 / 8 PHE A 201
VAL A 173
ARG A 143
ILE A 176
 None
 1.07A 4a97I-3dfyA:
undetectable		 4a97I-3dfyA:
24.47
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 PHE A  86
VAL A  79
HIS A 305
THR A 310
GLY A 309
 None
 1.46A 4hvcA-3dfyA:
undetectable		 4hvcA-3dfyA:
23.20
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.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 PHE A  86
VAL A  79
HIS A 305
THR A 310
GLY A 309
 None
 1.45A 4olfA-3dfyA:
undetectable		 4olfA-3dfyA:
19.73
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.
5IQB_D_KAND600_1
(BIFUNCTIONAL AAC/APH)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		5 / 12 ASP A 317
ASP A 132
SER A  50
GLU A 295
TYR A  16
 None
 1.48A 5iqbD-3dfyA:
undetectable		 5iqbD-3dfyA:
21.68
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 VAL A 328
GLU A  48
GLU A  34
 None
 0.82A 5jsdB-3dfyA:
undetectable
5jsdC-3dfyA:
0.0		 5jsdB-3dfyA:
19.69
5jsdC-3dfyA:
19.69
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		4 / 8 ARG A 252
GLU A 256
GLY A 226
ASP A 223
 None
 1.14A 5kgpA-3dfyA:
undetectable		 5kgpA-3dfyA:
24.87
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		4 / 6 LYS A  18
VAL A 135
ILE A 150
LYS A 145
 None
 1.09A 5q1sA-3dfyA:
undetectable		 5q1sA-3dfyA:
19.22
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 ASP A 241
ASN A 263
ASP A 317
 MG  A 401 (-3.0A)
None
None
 0.84A 5vopA-3dfyA:
9.1		 5vopA-3dfyA:
24.05
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3dfy MUCONATE
CYCLOISOMERASE
(Thermotoga
maritima) 		3 / 3 ASP A 241
ASN A 263
ASP A 317
 MG  A 401 (-3.0A)
None
None
 0.81A 5vopB-3dfyA:
3.5		 5vopB-3dfyA:
24.05