SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BDP'


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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida)
3 / 3 GLU A  31
ILE A  32
ARG A 149
None
BDP  A 401 ( 4.5A)
BDP  A 401 (-2.9A)
0.67A 1cd2A-4xfeA:
undetectable
1cd2A-4xfeA:
20.72
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.
1CEA_A_ACAA90_1
(PLASMINOGEN)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
4 / 8 ASP A 242
ASP A 213
TYR A 323
THR A 259
BDP  A 331 (-2.7A)
None
None
None
1.43A 1ceaA-3uugA:
undetectable
1ceaB-3uugA:
undetectable
1ceaA-3uugA:
10.89
1ceaB-3uugA:
10.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
6 / 7 ARG A 243
ASN A 290
TYR A 408
ARG A 462
ARG A 466
ASN A 580
BDP  A1003 ( 2.3A)
BDP  A1001 ( 3.8A)
NAG  A1002 ( 2.6A)
BDP  A1001 ( 3.1A)
NAG  A1002 (-3.4A)
BDP  A1001 ( 2.4A)
0.74A 1f9gA-1n7rA:
65.1
1f9gA-1n7rA:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
4 / 7 TYR A 404
ARG A 462
ARG A 466
ASN A 580
None
BDP  A1001 ( 3.1A)
NAG  A1002 (-3.4A)
BDP  A1001 ( 2.4A)
1.03A 1f9gA-1n7rA:
65.1
1f9gA-1n7rA:
99.58
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.
1I7Z_C_COCC302_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
4 / 4 GLU A 244
TYR A 212
PRO A 211
ASP A 213
None
BDP  A 331 (-3.2A)
None
None
1.44A 1i7zD-3uugA:
0.0
1i7zD-3uugA:
22.32
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A 240
ASN A  42
TRP A 275
BDP  A 401 (-2.9A)
None
None
1.25A 1r15C-4x04A:
undetectable
1r15C-4x04A:
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A 240
ASN A  42
TRP A 275
BDP  A 401 (-2.9A)
None
None
1.25A 1r15D-4x04A:
undetectable
1r15D-4x04A:
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A 240
ASN A  42
TRP A 275
BDP  A 401 (-2.9A)
None
None
1.27A 1r15E-4x04A:
undetectable
1r15E-4x04A:
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A 240
ASN A  42
TRP A 275
BDP  A 401 (-2.9A)
None
None
1.26A 1r15F-4x04A:
undetectable
1r15F-4x04A:
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 7 GLY A 103
MET A 179
ILE A 105
VAL A 106
None
BDP  A 401 (-3.5A)
None
None
0.98A 1rxcC-4p1lA:
undetectable
1rxcC-4p1lA:
21.58
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
3 / 3 MET A 175
ASN A 108
GLN A 241
None
None
BDP  A 331 ( 4.1A)
1.04A 1xoqB-3uugA:
undetectable
1xoqB-3uugA:
20.75
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.
2QEU_A_ACTA141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 VAL A  35
ASP A  34
GLU A  74
BDP  A 401 (-4.9A)
None
BDP  A 401 ( 2.9A)
0.75A 2qeuA-4x04A:
undetectable
2qeuA-4x04A:
19.52
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.
2QEU_C_ACTC141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 VAL A  35
ASP A  34
GLU A  74
BDP  A 401 (-4.9A)
None
BDP  A 401 ( 2.9A)
0.73A 2qeuC-4x04A:
undetectable
2qeuC-4x04A:
19.52
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.
2XKW_A_P1BA1478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
4 / 7 GLU A 240
GLN A  76
ALA A  85
ILE A  83
BDP  A 401 (-2.9A)
MG  A 404 ( 4.4A)
None
None
0.85A 2xkwA-4x04A:
undetectable
2xkwA-4x04A:
22.51
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
4 / 8 THR A 519
GLN A 418
ARG A 355
ILE A 184
BDP  A1005 (-3.5A)
BDP  A1005 (-3.6A)
NAG  A1004 ( 3.7A)
None
1.14A 2xytH-1n7rA:
0.0
2xytH-1n7rA:
15.12
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
4 / 8 VAL A 174
ARG A 153
VAL A 308
TYR A 312
None
BDP  A 401 (-2.9A)
None
None
1.33A 2y05A-4x04A:
undetectable
2y05B-4x04A:
undetectable
2y05A-4x04A:
22.92
2y05B-4x04A:
22.92
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida)
4 / 8 VAL A 170
ARG A 149
VAL A 304
TYR A 308
None
BDP  A 401 (-2.9A)
None
None
1.33A 2y05A-4xfeA:
undetectable
2y05B-4xfeA:
undetectable
2y05A-4xfeA:
22.75
2y05B-4xfeA:
22.75
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii)
5 / 12 TYR A 157
PHE A 198
VAL A 201
ALA A 151
SER A 219
None
BDP  A 402 ( 3.6A)
None
GCU  A 401 (-3.6A)
GCU  A 401 ( 4.6A)
1.47A 3apwA-4n91A:
undetectable
3apwA-4n91A:
19.32
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)
4fms PROBABLE PORIN
(Pseudomonas
aeruginosa)
3 / 3 GLY B 128
ASP B 126
SER B 285
BDP  B 401 ( 4.4A)
BDP  B 401 (-2.8A)
BDP  B 401 (-3.3A)
0.61A 3brfA-4fmsB:
undetectable
3brfA-4fmsB:
21.82
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)
3im0 VAL-1
(Paramecium
bursaria
Chlorella
virus
CVK2)
5 / 12 TYR A 106
GLY A  49
GLY A 222
ASP A  45
VAL A  56
BDP  A 301 (-4.0A)
None
None
None
None
1.40A 3dlcA-3im0A:
undetectable
3dlcA-3im0A:
21.84
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)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
4 / 6 ILE A 296
ALA A 292
ALA A 236
THR A 239
None
BDP  A1001 ( 4.2A)
NAG  A1002 ( 4.8A)
BDP  A1003 ( 4.9A)
0.86A 3mdrB-1n7rA:
undetectable
3mdrB-1n7rA:
18.63
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
5 / 12 ASP A 143
ASP A  91
ARG A  17
TRP A  18
ASP A 242
BDP  A 331 (-2.8A)
BDP  A 331 (-3.0A)
BDP  A 331 (-4.0A)
BDP  A 331 ( 4.9A)
BDP  A 331 (-2.7A)
1.17A 3phaA-3uugA:
2.7
3phaA-3uugA:
19.67
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida)
4 / 5 GLU A 236
LEU A  90
GLN A 171
GLY A  91
BDP  A 401 (-3.0A)
None
BDP  A 401 (-3.7A)
None
1.14A 3pp1A-4xfeA:
undetectable
3pp1A-4xfeA:
26.60
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 7 GLU A 244
ARG A 276
GLU A 280
PRO A  47
BDP  A 401 (-3.0A)
None
None
None
1.37A 3ql6A-4p1lA:
undetectable
3ql6A-4p1lA:
18.84
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
5 / 11 GLY A 481
VAL A 478
GLU A 477
SER A 417
ILE A 482
None
None
BDP  A1003 ( 4.4A)
None
None
1.22A 3uawA-1n7rA:
undetectable
3uawA-1n7rA:
15.58
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.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
4 / 6 ILE A  88
ILE A  19
TRP A  18
MET A  10
None
None
BDP  A 331 ( 4.9A)
None
1.25A 3weoA-3uugA:
undetectable
3weoA-3uugA:
18.53
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus
musculus)
4 / 5 THR A  71
ILE A  63
LYS A 123
GLU A 122
A3P  A 603 (-2.9A)
None
BDP  A   2 (-3.0A)
None
1.27A 4ac9C-3uanA:
2.6
4ac9C-3uanA:
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides)
4 / 5 THR A  78
ILE A  75
GLU A  71
PHE A 131
None
None
BDP  A 401 (-2.7A)
None
1.25A 4ac9C-4x8rA:
undetectable
4ac9C-4x8rA:
22.52
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus
musculus)
4 / 5 THR A  71
ILE A  63
LYS A 123
GLU A 122
A3P  A 603 (-2.9A)
None
BDP  A   2 (-3.0A)
None
1.27A 4acaC-3uanA:
3.9
4acaC-3uanA:
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides)
4 / 5 THR A  78
ILE A  75
GLU A  71
PHE A 131
None
None
BDP  A 401 (-2.7A)
None
1.25A 4acaC-4x8rA:
undetectable
4acaC-4x8rA:
22.52
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus
musculus)
4 / 5 THR A  71
ILE A  63
LYS A 123
GLU A 122
A3P  A 603 (-2.9A)
None
BDP  A   2 (-3.0A)
None
1.38A 4acbC-3uanA:
4.0
4acbC-3uanA:
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides)
4 / 5 THR A  78
ILE A  75
GLU A  71
PHE A 131
None
None
BDP  A 401 (-2.7A)
None
1.30A 4acbC-4x8rA:
undetectable
4acbC-4x8rA:
22.52
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.
4CX7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
4 / 8 PHE A 144
GLU A 240
MET A 148
ILE A 122
None
BDP  A 401 (-2.9A)
None
None
1.36A 4cx7A-4x04A:
undetectable
4cx7B-4x04A:
undetectable
4cx7A-4x04A:
19.27
4cx7B-4x04A:
19.27
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.
4F92_B_SANB2201_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida)
5 / 9 GLU A  71
ASN A 173
GLN A 171
GLY A  91
SER A  89
BDP  A 401 (-2.8A)
None
BDP  A 401 (-3.7A)
None
BDP  A 401 (-4.9A)
1.47A 4f92B-4xfeA:
0.0
4f92B-4xfeA:
11.51
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.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)
4fms PROBABLE PORIN
(Pseudomonas
aeruginosa)
5 / 12 GLY B 128
ASN B 282
SER B 159
PRO B 118
LEU B 123
BDP  B 401 ( 4.4A)
None
None
None
None
1.05A 4fzvA-4fmsB:
undetectable
4fzvA-4fmsB:
22.42
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.
4G19_D_ACTD302_0
(GLUTATHIONE
TRANSFERASE GTE1)
3im0 VAL-1
(Paramecium
bursaria
Chlorella
virus
CVK2)
3 / 3 TYR A 128
PHE A 220
ARG A 116
BDP  A 301 (-4.6A)
BDP  A 301 (-4.6A)
BDP  A 301 (-2.6A)
1.23A 4g19D-3im0A:
undetectable
4g19D-3im0A:
22.26
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.
4G19_D_ACTD302_0
(GLUTATHIONE
TRANSFERASE GTE1)
3im0 VAL-1
(Paramecium
bursaria
Chlorella
virus
CVK2)
3 / 3 TYR A 130
PHE A 220
ARG A 116
BDP  A 301 (-4.5A)
BDP  A 301 (-4.6A)
BDP  A 301 (-2.6A)
1.21A 4g19D-3im0A:
undetectable
4g19D-3im0A:
22.26
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.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides)
4 / 6 GLU A 235
ARG A 147
GLU A  71
SER A  92
BDP  A 401 (-2.9A)
BDP  A 401 (-3.0A)
BDP  A 401 (-2.7A)
BDP  A 401 ( 4.0A)
1.20A 4kr3A-4x8rA:
2.6
4kr3A-4x8rA:
20.29
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)
4fms PROBABLE PORIN
(Pseudomonas
aeruginosa)
5 / 12 ASP B 292
GLY B 287
PHE B 172
GLY B 128
ASP B 126
BDP  B 401 (-2.9A)
None
None
BDP  B 401 ( 4.4A)
BDP  B 401 (-2.8A)
1.02A 4n09B-4fmsB:
undetectable
4n09B-4fmsB:
22.46
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.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A  74
THR A 217
HIS A  36
BDP  A 401 ( 2.9A)
BDP  A 401 (-3.8A)
BDP  A 401 (-4.1A)
0.86A 4q15A-4x04A:
undetectable
4q15A-4x04A:
24.12
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.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A  74
THR A 217
HIS A  36
BDP  A 401 ( 2.9A)
BDP  A 401 (-3.8A)
BDP  A 401 (-4.1A)
0.83A 4q15B-4x04A:
undetectable
4q15B-4x04A:
24.12
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 6 TYR A  46
GLU A 244
LEU A  52
PHE A 151
None
BDP  A 401 (-3.0A)
None
None
1.29A 4twdD-4p1lA:
undetectable
4twdE-4p1lA:
undetectable
4twdD-4p1lA:
23.29
4twdE-4p1lA:
23.29
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 7 GLU A 244
LEU A  52
PHE A 151
TYR A  46
BDP  A 401 (-3.0A)
None
None
None
1.18A 4twdF-4p1lA:
undetectable
4twdJ-4p1lA:
undetectable
4twdF-4p1lA:
23.29
4twdJ-4p1lA:
23.29
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.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 6 TYR A  46
GLU A 244
LEU A  52
PHE A 151
None
BDP  A 401 (-3.0A)
None
None
1.18A 4twdF-4p1lA:
undetectable
4twdG-4p1lA:
undetectable
4twdF-4p1lA:
23.29
4twdG-4p1lA:
23.29
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 6 TYR A  46
GLU A 244
LEU A  52
PHE A 151
None
BDP  A 401 (-3.0A)
None
None
1.11A 4twdI-4p1lA:
undetectable
4twdJ-4p1lA:
undetectable
4twdI-4p1lA:
23.29
4twdJ-4p1lA:
23.29
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
3 / 3 GLU A  74
THR A 217
HIS A  36
BDP  A 401 ( 2.9A)
BDP  A 401 (-3.8A)
BDP  A 401 (-4.1A)
0.80A 4ydqB-4x04A:
undetectable
4ydqB-4x04A:
23.32
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida)
3 / 3 GLU A  71
THR A 213
HIS A  33
BDP  A 401 (-2.8A)
BDP  A 401 (-3.9A)
BDP  A 401 (-4.0A)
0.83A 4ydqB-4xfeA:
2.3
4ydqB-4xfeA:
20.23
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
5 / 12 GLY A 139
TYR A 212
SER A 210
ASP A 143
ALA A 146
None
BDP  A 331 (-3.2A)
None
BDP  A 331 (-2.8A)
None
1.19A 4ymgB-3uugA:
3.5
4ymgB-3uugA:
19.54
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.
4YSH_B_GLYB402_0
(GLYCINE OXIDASE)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
4 / 5 GLU A 577
TYR A 408
ARG A 466
ARG A 462
None
NAG  A1002 ( 2.6A)
NAG  A1002 (-3.4A)
BDP  A1001 ( 3.1A)
1.21A 4yshB-1n7rA:
0.0
4yshB-1n7rA:
19.52
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.
5CXV_A_0HKA501_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
5 / 12 ASP A 213
TYR A 212
SER A 216
ALA A 186
ALA A 188
None
BDP  A 331 (-3.2A)
None
None
None
1.29A 5cxvA-3uugA:
undetectable
5cxvA-3uugA:
19.30
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)
4ovq TRAP DICARBOXYLATE
ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Roseobacter
denitrificans)
5 / 12 PRO A  92
GLY A  86
MET A 131
GLU A 235
LEU A  90
None
None
None
BDP  A 402 (-3.0A)
None
1.30A 5emlA-4ovqA:
undetectable
5emlA-4ovqA:
20.42
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
4 / 8 GLY A  68
GLY A  69
VAL A  43
HIS A  36
None
None
None
BDP  A 401 (-4.1A)
0.78A 5f8yA-4x04A:
undetectable
5f8yA-4x04A:
20.13
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.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri)
4 / 8 GLY A  68
GLY A  69
VAL A  43
HIS A  36
None
None
None
BDP  A 401 (-4.1A)
0.77A 5f8yB-4x04A:
undetectable
5f8yB-4x04A:
20.13
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)
4fms PROBABLE PORIN
(Pseudomonas
aeruginosa)
5 / 12 LEU B  64
SER B 391
GLN B 133
ARG B 369
GLY B 128
None
None
None
None
BDP  B 401 ( 4.4A)
1.33A 5m50E-4fmsB:
undetectable
5m50E-4fmsB:
22.01
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus
musculus)
5 / 12 VAL A 235
GLU A 236
PHE A 250
ARG A  72
LEU A  80
None
None
None
BDP  A   2 (-3.6A)
None
1.19A 5nd2B-3uanA:
2.4
5nd2B-3uanA:
21.05
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.
5ND4_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus
musculus)
5 / 12 VAL A 235
GLU A 236
PHE A 250
ARG A  72
LEU A  80
None
None
None
BDP  A   2 (-3.6A)
None
1.06A 5nd4B-3uanA:
undetectable
5nd4B-3uanA:
21.29
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
5 / 12 ALA A 155
GLY A 154
SER A 153
GLU A 280
GLU A 274
None
None
BDP  A 401 ( 4.9A)
None
None
0.86A 5nwuA-4p1lA:
undetectable
5nwuA-4p1lA:
7.72
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides)
5 / 11 LEU A 236
PRO A 234
GLU A 126
GLY A 124
SER A  89
None
None
None
None
BDP  A 401 (-3.9A)
1.14A 5o96A-4x8rA:
undetectable
5o96B-4x8rA:
undetectable
5o96A-4x8rA:
23.03
5o96B-4x8rA:
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
4 / 5 TYR A 200
ASP A  79
PRO A  81
ALA A  75
BDP  A 401 (-3.8A)
None
None
None
1.01A 5otrA-4p1lA:
undetectable
5otrA-4p1lA:
21.04
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.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
3 / 3 CYH A 245
MET A  99
ASN A  98
None
None
BDP  A 401 (-4.4A)
0.86A 5qh8A-4p1lA:
undetectable
5qh8A-4p1lA:
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.
5V96_D_ADND502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)
1n7r HYALURONIDASE
(Streptococcus
pneumoniae)
4 / 4 GLU A 246
THR A 305
THR A 268
LEU A 225
BDP  A1005 (-2.7A)
None
None
None
1.50A 5v96D-1n7rA:
undetectable
5v96D-1n7rA:
20.49
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.
6GNG_A_QPSA601_2
(-)
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens)
5 / 12 GLY A 154
TYR A 234
ARG A 156
GLU A 244
GLY A 152
None
None
BDP  A 401 (-3.0A)
BDP  A 401 (-3.0A)
None
1.41A 6gngA-4p1lA:
undetectable
6gngA-4p1lA:
21.62
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum)
5 / 12 GLY A 240
GLN A 241
TYR A 323
LEU A 318
ILE A 251
None
BDP  A 331 ( 4.1A)
None
None
None
1.40A 6md4A-3uugA:
undetectable
6md4A-3uugA:
11.82