SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4grs'

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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 ALA A  99
ILE A 122
PHE A  95
LEU A 326
LEU A 322
 None
 1.19A 1dtlA-4grsA:
undetectable		 1dtlA-4grsA:
20.24
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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 7 ARG A 151
THR A 161
VAL A 162
ALA A 175
 None
 1.06A 1fo4B-4grsA:
undetectable		 1fo4B-4grsA:
13.91
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 LEU A 250
ILE A 214
ILE A  98
ILE A 267
VAL A 258
 None
 1.03A 1oipA-4grsA:
undetectable		 1oipA-4grsA:
22.74
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.
1RXC_D_URFD2021_1
(URIDINE
PHOSPHORYLASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 7 GLY A 100
GLN A 313
ILE A 110
VAL A 113
 None
 1.08A 1rxcD-4grsA:
undetectable		 1rxcD-4grsA:
24.93
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.
1RXC_F_URFF2001_1
(URIDINE
PHOSPHORYLASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 7 GLY A 100
GLN A 313
ILE A 110
VAL A 113
 None
 1.04A 1rxcF-4grsA:
undetectable		 1rxcF-4grsA:
24.93
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.
1RXC_L_URFL2071_1
(URIDINE
PHOSPHORYLASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 7 GLY A 100
GLN A 313
ILE A 110
VAL A 113
 None
 1.08A 1rxcL-4grsA:
undetectable		 1rxcL-4grsA:
24.93
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.
2J9D_J_ACTJ1116_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 8 LYS A  32
ILE A  30
GLU A  11
ILE A  14
 None
 0.68A 2j9dJ-4grsA:
undetectable
2j9dK-4grsA:
4.0
2j9dL-4grsA:
3.6		 2j9dJ-4grsA:
16.77
2j9dK-4grsA:
16.77
2j9dL-4grsA:
16.77
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.
2Q9R_A_BEZA203_0
(PROTEIN OF UNKNOWN
FUNCTION)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 5 LEU A 205
PRO A 203
ILE A  83
ILE A 233
 None
 0.84A 2q9rA-4grsA:
undetectable		 2q9rA-4grsA:
24.44
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.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 9 ALA A 284
ALA A 292
GLY A 291
GLY A 294
ILE A 267
 None
 1.25A 2v7bA-4grsA:
undetectable		 2v7bA-4grsA:
20.37
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.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 9 ALA A 284
ALA A 292
GLY A 291
GLY A 294
ILE A 267
 None
 1.26A 2v7bB-4grsA:
undetectable		 2v7bB-4grsA:
20.37
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.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 LEU A 117
GLY A 121
TRP A 331
LEU A 320
PHE A 116
 None
 1.33A 3h52C-4grsA:
undetectable		 3h52C-4grsA:
22.05
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 GLY A 127
GLY A 100
ASP A 179
ARG A 151
GLU A 105
 None
 1.02A 3o7wA-4grsA:
undetectable		 3o7wA-4grsA:
22.44
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.
4E1V_F_URFF1301_1
(URIDINE
PHOSPHORYLASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 6 GLY A 100
GLN A 313
ILE A 110
VAL A 113
 None
 1.10A 4e1vF-4grsA:
undetectable		 4e1vF-4grsA:
24.78
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 6 VAL A 297
VAL A 280
ILE A 281
LEU A 323
 None
 0.86A 4l1wB-4grsA:
6.1		 4l1wB-4grsA:
22.82
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.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 VAL A 297
ILE A 281
LEU A 329
LEU A 322
ALA A 287
 None
 1.04A 4m11B-4grsA:
undetectable		 4m11B-4grsA:
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 5 LEU A 322
ALA A  99
VAL A 268
ILE A 267
 None
 0.96A 4xe3B-4grsA:
undetectable		 4xe3B-4grsA:
22.27
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.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 THR A  96
GLY A 291
TYR A  94
ILE A 252
ALA A 289
 None
 1.16A 5kvaA-4grsA:
undetectable		 5kvaA-4grsA:
21.41
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.
5KVA_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 THR A  96
GLY A 291
TYR A  94
ILE A 252
ALA A 289
 None
 1.18A 5kvaB-4grsA:
undetectable		 5kvaB-4grsA:
21.41
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_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 LEU A 117
ILE A 295
VAL A 299
LEU A 314
ILE A 281
 None
 0.95A 5mugA-4grsA:
undetectable		 5mugA-4grsA:
23.05
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.
5NJV_D_SAMD301_0
(NS5)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 GLY A  93
GLY A 291
ASP A 251
ASP A 293
ILE A 266
 None
 0.97A 5njvD-4grsA:
undetectable		 5njvD-4grsA:
23.03
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 VAL A 124
ILE A  98
ILE A 267
ASN A 231
VAL A  88
 None
 0.83A 5uvmB-4grsA:
undetectable		 5uvmB-4grsA:
17.79
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.
5VLM_F_CVIF301_0
(REGULATORY PROTEIN
TETR)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 GLN A 189
SER A 220
GLU A 222
LEU A 194
CYH A 235
 None
 1.36A 5vlmF-4grsA:
undetectable		 5vlmF-4grsA:
22.09
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		4 / 8 GLY A 128
ILE A 104
HIS A 300
PRO A 301
 None
 0.77A 6ag0A-4grsA:
4.6		 6ag0A-4grsA:
13.06
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.
6GNE_A_ACRA602_1
(-)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 GLY A 128
GLY A 127
VAL A 162
GLN A 313
GLY A 100
 None
 1.07A 6gneA-4grsA:
2.0		 6gneA-4grsA:
21.99
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.
6GNE_B_ACRB602_1
(-)		 4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE
(Pyrococcus
furiosus;
Thermotoga
maritima) 		5 / 12 GLY A 128
GLY A 127
VAL A 162
GLN A 313
GLY A 100
 None
 1.07A 6gneB-4grsA:
2.3		 6gneB-4grsA:
21.99