SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4gfi'

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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		3 / 3 TRP A  97
VAL A  92
TRP A 326
 None
 1.28A 1c4dA-4gfiA:
undetectable
1c4dB-4gfiA:
undetectable		 1c4dA-4gfiA:
17.86
1c4dB-4gfiA:
17.86
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 GLY A 251
GLU A 255
VAL A  92
ASP A  93
GLN A  80
 None
 1.15A 1n2xA-4gfiA:
undetectable		 1n2xA-4gfiA:
23.85
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		4 / 4 LEU A 303
PRO A 300
LEU A 302
ARG A  25
 None
None
None
GLU  A 403 (-3.5A)
 1.14A 2hrcA-4gfiA:
undetectable		 2hrcA-4gfiA:
19.95
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.32A 2oaxA-4gfiA:
undetectable		 2oaxA-4gfiA:
21.52
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.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.34A 2oaxB-4gfiA:
undetectable		 2oaxB-4gfiA:
21.52
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.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.33A 2oaxC-4gfiA:
undetectable		 2oaxC-4gfiA:
21.52
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.
2OAX_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.37A 2oaxF-4gfiA:
undetectable		 2oaxF-4gfiA:
21.52
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.
3CLD_A_GW6A1_1
(GLUCOCORTICOID
RECEPTOR)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.43A 3cldA-4gfiA:
undetectable		 3cldA-4gfiA:
18.56
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		3 / 3 ASN A 184
ASP A 156
ARG A  51
 None
 0.90A 3k13C-4gfiA:
5.0		 3k13C-4gfiA:
22.35
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.
3VHU_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.33A 3vhuA-4gfiA:
undetectable		 3vhuA-4gfiA:
20.69
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.
4MMA_A_CXXA603_1
(TRANSPORTER)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 11 ASP A 298
VAL A 286
ALA A 283
SER A 279
GLY A 281
 ALA  A 402 (-3.0A)
None
None
None
None
 1.26A 4mmaA-4gfiA:
undetectable		 4mmaA-4gfiA:
21.00
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.
4RFQ_A_SAMA401_1
(HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		4 / 4 THR A 230
GLY A 251
ASP A  93
SER A 229
 None
 1.22A 4rfqA-4gfiA:
undetectable		 4rfqA-4gfiA:
20.61
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		3 / 3 ASP A 296
ARG A  22
ARG A  25
 ALA  A 402 (-2.5A)
None
GLU  A 403 (-3.5A)
 0.87A 4x5iA-4gfiA:
undetectable		 4x5iA-4gfiA:
20.32
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		4 / 4 ILE A 197
ILE A 172
ARG A 164
LEU A 199
 None
 1.38A 5dzkh-4gfiA:
1.9
5dzkn-4gfiA:
1.9
5dzkv-4gfiA:
undetectable		 5dzkh-4gfiA:
21.75
5dzkn-4gfiA:
21.75
5dzkv-4gfiA:
1.34
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 VAL A  70
LEU A 280
GLY A  44
ALA A  95
LEU A  96
 None
 1.13A 5iktA-4gfiA:
undetectable		 5iktA-4gfiA:
20.57
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)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		3 / 3 ASP A 224
ASN A 244
ASP A 296
 NA  A 401 ( 3.3A)
GLU  A 403 ( 4.4A)
ALA  A 402 (-2.5A)
 0.85A 5vopA-4gfiA:
6.8		 5vopA-4gfiA:
24.14
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)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		3 / 3 ASP A 224
ASN A 244
ASP A 296
 NA  A 401 ( 3.3A)
GLU  A 403 ( 4.4A)
ALA  A 402 (-2.5A)
 0.82A 5vopB-4gfiA:
4.3		 5vopB-4gfiA:
24.14
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN
(Agrobacterium
fabrum) 		5 / 12 ALA A 117
GLN A 118
LEU A 113
ILE A 245
LEU A 297
 None
 1.13A 6a5zD-4gfiA:
undetectable		 6a5zD-4gfiA:
12.46