SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xb6'

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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
4 / 7 VAL B  96
LEU B  85
LEU B  53
LEU B  52
None
0.86A 1cqpA-4xb6B:
undetectable
1cqpB-4xb6B:
undetectable
1cqpA-4xb6B:
20.98
1cqpB-4xb6B:
20.98
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.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 12 ALA B 141
LYS B  23
ILE B 149
LEU B 183
ILE B 185
None
1.32A 1d1gA-4xb6B:
undetectable
1d1gA-4xb6B:
23.08
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.
1DRF_A_FOLA187_1
(DIHYDROFOLATE
REDUCTASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 4 GLU C 252
ASN C 257
ARG C 189
THR C  96
None
1.33A 1drfA-4xb6C:
undetectable
1drfA-4xb6C:
18.23
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
5 / 12 ILE D 188
ALA D 172
ASP D 192
TYR D 250
PHE C 337
None
1.10A 1ri4A-4xb6D:
undetectable
1ri4A-4xb6D:
21.32
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.
2BM9_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
5 / 12 GLU D 112
SER D 249
ASP D 270
ARG D  97
ASP D 100
None
1.33A 2bm9B-4xb6D:
undetectable
2bm9B-4xb6D:
22.30
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.
2BM9_C_SAMC301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
4 / 4 SER D 249
ASP D 270
ARG D  97
ASP D 100
None
1.38A 2bm9C-4xb6D:
undetectable
2bm9C-4xb6D:
22.30
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 7 SER C 190
ASP C 176
SER C 191
GLN C 295
None
1.12A 2cmlA-4xb6C:
undetectable
2cmlA-4xb6C:
21.70
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 8 SER C 190
ASP C 176
SER C 191
GLN C 295
None
1.07A 2cmlD-4xb6C:
undetectable
2cmlD-4xb6C:
21.70
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli;
Escherichia
coli)
4 / 6 ARG C 271
THR A  56
ASP C  95
ASP C 231
None
1.17A 2okcA-4xb6C:
undetectable
2okcA-4xb6C:
21.37
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
5 / 12 ASP D  74
THR D 106
VAL C 335
ASP D 252
TYR D 250
None
1.47A 2x0yB-4xb6D:
undetectable
2x0yB-4xb6D:
17.57
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.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 12 THR B 189
LEU B 138
VAL B 127
PRO B 151
LEU B 153
None
None
CME  B 178 ( 4.2A)
None
None
1.27A 3a51B-4xb6B:
undetectable
3a51B-4xb6B:
19.66
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
4 / 6 ILE D  30
ALA D  29
THR B 188
ALA B 141
None
1.00A 3mdrB-4xb6D:
undetectable
3mdrB-4xb6D:
19.17
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
6 / 12 PHE D 205
GLY D 206
GLY D  52
ILE D 188
VAL D 125
SER D 186
None
1.28A 3nk7B-4xb6D:
undetectable
3nk7B-4xb6D:
23.87
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.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
3 / 3 LYS D  87
ARG D  83
ASP C  13
None
1.27A 3o7wA-4xb6D:
undetectable
3o7wA-4xb6D:
22.70
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
5 / 12 LEU C 204
LEU C 207
ALA C 208
LEU C 294
GLY C 274
None
0.87A 3olsA-4xb6C:
undetectable
3olsA-4xb6C:
20.87
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.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
5 / 9 VAL D 175
PHE D 123
ASN D 193
ILE D 188
PHE D 205
None
1.37A 3t3rB-4xb6D:
undetectable
3t3rB-4xb6D:
21.14
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.
3T3R_C_9PLC501_1
(CYTOCHROME P450 2A6)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
5 / 9 VAL D 175
PHE D 123
ASN D 193
ILE D 188
PHE D 205
None
1.34A 3t3rC-4xb6D:
undetectable
3t3rC-4xb6D:
21.14
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.
4ACB_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
4 / 6 SER D 186
ASP D 184
ILE D 188
PHE D 205
None
0.99A 4acbC-4xb6D:
undetectable
4acbC-4xb6D:
19.11
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
4 / 5 ILE D  53
ALA D  10
MET D  42
PHE D  86
None
1.01A 4dc3B-4xb6D:
undetectable
4dc3B-4xb6D:
20.10
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 6 TYR C 124
ILE C 105
THR C 121
GLY C 119
None
1.00A 4l39A-4xb6C:
undetectable
4l39A-4xb6C:
20.07
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.
4MK4_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
4 / 6 PHE B  18
ARG B  20
ARG B  19
VAL D 103
None
1.41A 4mk4B-4xb6B:
undetectable
4mk4B-4xb6B:
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.
4MWR_A_ZMRA513_2
(NEURAMINIDASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 5 LEU C 204
ASP C 318
ARG C 198
ILE C 178
None
1.38A 4mwrA-4xb6C:
undetectable
4mwrA-4xb6C:
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.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
4 / 6 LEU B 138
GLU B  27
VAL D  28
ALA D  29
None
0.76A 4nkvC-4xb6B:
undetectable
4nkvC-4xb6B:
18.81
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.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
4 / 6 LEU B 138
GLU B  27
VAL D  28
ALA D  29
None
0.80A 4nkxA-4xb6B:
undetectable
4nkxA-4xb6B:
18.81
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli;
Escherichia
coli)
4 / 7 THR A  56
PHE C 156
SER C 157
HIS C 154
None
1.20A 4o4dA-4xb6A:
undetectable
4o4dA-4xb6A:
20.16
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 6 ILE C  54
GLY C  52
ILE C 178
LEU A  46
None
0.59A 4o8fB-4xb6C:
undetectable
4o8fB-4xb6C:
21.79
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.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG

(Escherichia
coli)
4 / 4 ALA A 125
ALA A 128
ALA A 129
ALA A 132
None
0.13A 4oadA-4xb6A:
undetectable
4oadA-4xb6A:
21.97
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.
4OT2_A_NPSA601_1
(SERUM ALBUMIN)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG

(Escherichia
coli)
5 / 12 LEU A  27
CYH A  95
VAL A  14
SER A  18
LEU A 119
None
1.33A 4ot2A-4xb6A:
undetectable
4ot2A-4xb6A:
13.89
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
5 / 12 GLN C 195
GLU C 321
ALA C 315
SER C 191
ILE C 178
None
1.31A 4pb1A-4xb6C:
undetectable
4pb1A-4xb6C:
23.26
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.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
5 / 12 LEU C 204
LEU C 207
ALA C 208
LEU C 294
GLY C 274
None
0.82A 4pxmA-4xb6C:
undetectable
4pxmA-4xb6C:
21.80
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.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
4 / 7 PRO D 240
GLU D 239
ASP D  74
THR D  76
None
1.12A 4uacA-4xb6D:
undetectable
4uacA-4xb6D:
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.
4WG0_D_CHDD102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 11 ASN B  74
LEU B  77
ARG B  78
LEU B  52
ALA B  92
None
1.09A 4wg0D-4xb6B:
undetectable
4wg0E-4xb6B:
undetectable
4wg0F-4xb6B:
undetectable
4wg0D-4xb6B:
5.75
4wg0E-4xb6B:
5.75
4wg0F-4xb6B:
5.75
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_F_CHDF103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 11 ASN B  74
LEU B  77
ARG B  78
LEU B  52
ALA B  92
None
1.09A 4wg0F-4xb6B:
undetectable
4wg0G-4xb6B:
undetectable
4wg0H-4xb6B:
undetectable
4wg0F-4xb6B:
5.75
4wg0G-4xb6B:
5.75
4wg0H-4xb6B:
5.75
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_H_CHDH103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 11 ASN B  74
LEU B  77
ARG B  78
LEU B  52
ALA B  92
None
1.05A 4wg0H-4xb6B:
undetectable
4wg0I-4xb6B:
undetectable
4wg0J-4xb6B:
undetectable
4wg0H-4xb6B:
5.75
4wg0I-4xb6B:
5.75
4wg0J-4xb6B:
5.75
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_J_CHDJ103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 11 ASN B  74
LEU B  77
ARG B  78
LEU B  52
ALA B  92
None
1.12A 4wg0J-4xb6B:
undetectable
4wg0K-4xb6B:
undetectable
4wg0L-4xb6B:
undetectable
4wg0J-4xb6B:
5.75
4wg0K-4xb6B:
5.75
4wg0L-4xb6B:
5.75
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_M_CHDM103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
5 / 11 ALA B  92
LEU B  52
ASN B  74
LEU B  77
ARG B  78
None
1.08A 4wg0K-4xb6B:
undetectable
4wg0L-4xb6B:
undetectable
4wg0M-4xb6B:
undetectable
4wg0K-4xb6B:
5.75
4wg0L-4xb6B:
5.75
4wg0M-4xb6B:
5.75
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
4 / 7 GLU B 118
ILE D 213
ARG D  40
LEU D  12
None
0.85A 4xumA-4xb6B:
undetectable
4xumA-4xb6B:
22.14
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.
4Z91_J_4LEJ401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
6 / 9 LEU B  52
ALA B  56
LEU B  77
ALA B  83
LEU B  85
ALA B  92
None
1.18A 4z91F-4xb6B:
undetectable
4z91G-4xb6B:
undetectable
4z91H-4xb6B:
undetectable
4z91I-4xb6B:
undetectable
4z91J-4xb6B:
undetectable
4z91F-4xb6B:
21.91
4z91G-4xb6B:
21.91
4z91H-4xb6B:
21.91
4z91I-4xb6B:
21.91
4z91J-4xb6B:
21.91
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.
5B8I_C_FK5C201_2
(CALCINEURIN SUBUNIT
B, VARIANT
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 4 LEU C  78
MET C  49
VAL C  48
ASN C  71
None
1.28A 5b8iB-4xb6C:
undetectable
5b8iB-4xb6C:
19.03
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
4 / 8 PHE D  37
ILE D 213
GLY D 208
MET D  42
None
None
SO4  D 301 (-3.4A)
None
0.83A 5esjA-4xb6D:
undetectable
5esjA-4xb6D:
19.09
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli)
4 / 8 HIS D 108
HIS C 333
HIS C 328
GLY D  47
None
ZN  C 402 (-3.3A)
ZN  C 402 (-3.1A)
SO4  D 301 (-3.3A)
1.03A 5m8rC-4xb6D:
undetectable
5m8rC-4xb6D:
20.81
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.
5TIY_A_OAQA302_0
(SULFOTRANSFERASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
5 / 11 PRO D 189
ILE D  69
ASP D 192
VAL C 335
SER D 267
None
1.42A 5tiyA-4xb6D:
undetectable
5tiyA-4xb6D:
19.61
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli)
4 / 4 LEU B 125
LEU B 123
SER B  65
ALA B  95
None
0.95A 5uunA-4xb6B:
undetectable
5uunA-4xb6B:
22.37
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
4 / 8 GLY D  38
GLU D  41
ILE C 178
ASP C 177
None
1.04A 5vlmD-4xb6D:
undetectable
5vlmD-4xb6D:
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli;
Escherichia
coli)
4 / 8 ARG D  22
GLU B 118
THR C 181
PRO C 182
None
1.13A 6a4iA-4xb6D:
undetectable
6a4iA-4xb6D:
20.41
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
5 / 10 LEU D 202
ILE D  30
ALA D  29
THR B 188
ALA B 141
None
1.40A 6h1lA-4xb6D:
undetectable
6h1lA-4xb6D:
20.48
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli)
5 / 11 PHE D  86
VAL D  89
THR D  90
ILE D  53
LEU D  12
None
1.17A 6h1lB-4xb6D:
undetectable
6h1lB-4xb6D:
20.48
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.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
3 / 3 THR B 188
GLU D 148
ASN D 178
None
0.51A 6nj9K-4xb6B:
2.3
6nj9K-4xb6B:
18.23
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.
6NKN_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli;
Escherichia
coli)
3 / 3 ARG D 137
PHE D 133
PHE C 312
None
0.96A 6nknC-4xb6D:
undetectable
6nknJ-4xb6D:
undetectable
6nknC-4xb6D:
19.61
6nknJ-4xb6D:
10.68