SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'C8E'


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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 LEU X 282
ALA X 280
ALA X 278
VAL X 207
LEU X 272
 C8E  X 454 ( 4.9A)
C8E  X 454 ( 3.9A)
None
None
C8E  X 453 ( 4.8A)
 1.25A 1cbrA-3dwoX:
2.8		 1cbrA-3dwoX:
14.66
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.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 LEU X 282
ALA X 280
ALA X 278
VAL X 207
LEU X 272
 C8E  X 454 ( 4.9A)
C8E  X 454 ( 3.9A)
None
None
C8E  X 453 ( 4.8A)
 1.25A 1cbrB-3dwoX:
2.7		 1cbrB-3dwoX:
14.66
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.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.10A 1dhfA-3dwoX:
undetectable		 1dhfA-3dwoX:
19.20
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.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.14A 1dhfB-3dwoX:
undetectable		 1dhfB-3dwoX:
19.20
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.
1ERR_B_CCSB381_0
(ESTROGEN RECEPTOR)		 2x56 COAGULASE/FIBRINOLYS
IN
(Yersinia
pestis) 		3 / 3 GLU A 111
ALA A 109
SER A  74
 None
None
C8E  A1295 (-4.7A)
 0.38A 1errB-2x56A:
undetectable		 1errB-2x56A:
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.
1GTF_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 10 ARG A  86
THR A 162
GLY A 609
THR A  58
THR A  55
 None
None
C8E  A 702 ( 4.0A)
None
None
 1.34A 1gtfG-5ivaA:
undetectable
1gtfH-5ivaA:
undetectable		 1gtfG-5ivaA:
8.31
1gtfH-5ivaA:
8.31
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.
1GTF_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 11 GLY A 609
THR A  58
THR A  55
ARG A  86
THR A 162
 C8E  A 702 ( 4.0A)
None
None
None
None
 1.33A 1gtfU-5ivaA:
undetectable
1gtfV-5ivaA:
undetectable		 1gtfU-5ivaA:
8.31
1gtfV-5ivaA:
8.31
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.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 7 THR A 135
LEU A 146
GLY A 185
LEU A 114
 None
None
C8E  A 406 ( 4.0A)
None
 0.81A 1gtiA-4fspA:
undetectable		 1gtiA-4fspA:
19.35
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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 7 THR A 135
LEU A 146
GLY A 185
LEU A 114
 None
None
C8E  A 406 ( 4.0A)
None
 0.94A 1gtiD-4fspA:
undetectable		 1gtiD-4fspA:
19.35
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.
1GTI_E_CCSE47_0
(GLUTATHIONE
S-TRANSFERASE)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 7 THR A 135
LEU A 146
GLY A 185
LEU A 114
 None
None
C8E  A 406 ( 4.0A)
None
 0.86A 1gtiE-4fspA:
undetectable		 1gtiE-4fspA:
19.35
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.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 2x27 OUTER MEMBRANE
PROTEIN OPRG
(Pseudomonas
aeruginosa) 		5 / 11 ALA X  57
TYR X 102
LEU X  99
GLN X 100
ARG X  13
 None
None
C8E  X1217 (-3.8A)
None
None
 1.28A 1iiuA-2x27X:
3.4		 1iiuA-2x27X:
19.74
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 3brz TODX
(Pseudomonas
putida) 		5 / 11 ALA A 252
PHE A 315
LEU A 190
ALA A 200
HIS A 201
 None
None
C8E  A 501 ( 4.2A)
C8E  A 501 (-3.2A)
None
 1.18A 1mjlA-3brzA:
undetectable
1mjlB-3brzA:
undetectable		 1mjlA-3brzA:
11.85
1mjlB-3brzA:
11.85
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.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 4fms PROBABLE PORIN
(Pseudomonas
aeruginosa) 		3 / 3 GLU B  38
HIS B  25
HIS B  23
 None
C8E  B 405 (-4.3A)
None
 0.64A 1oe2A-4fmsB:
undetectable		 1oe2A-4fmsB:
24.29
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.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 3slt SERINE PROTEASE ESPP
(Escherichia
coli) 		5 / 12 PRO A1201
GLY A1284
LEU A1173
VAL A1174
LEU A1019
 None
C8E  A1301 ( 4.4A)
None
None
None
 1.17A 1r30A-3sltA:
undetectable		 1r30A-3sltA:
22.11
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.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 3slt SERINE PROTEASE ESPP
(Escherichia
coli) 		5 / 12 PRO A1201
GLY A1284
LEU A1173
VAL A1174
LEU A1019
 None
C8E  A1301 ( 4.4A)
None
None
None
 1.17A 1r30B-3sltA:
undetectable		 1r30B-3sltA:
22.11
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.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.72A 1rjoA-4nreA:
undetectable		 1rjoA-4nreA:
21.57
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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.68A 1rkyA-4nreA:
undetectable		 1rkyA-4nreA:
22.89
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.
1SBR_A_VIBA502_1
(YKOF)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		4 / 6 PHE A 572
ALA A 557
LEU A 556
ILE A 546
 None
C8E  A 701 ( 4.1A)
None
None
 1.06A 1sbrA-5ivaA:
undetectable
1sbrB-5ivaA:
undetectable		 1sbrA-5ivaA:
14.26
1sbrB-5ivaA:
14.26
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.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 11 VAL X 173
VAL X 205
TYR X 244
ARG X 372
LEU X 419
 C8E  X 454 ( 4.3A)
C8E  X 454 ( 4.1A)
None
C8E  X 454 ( 4.8A)
None
 1.37A 1t6zB-3dwoX:
undetectable		 1t6zB-3dwoX:
19.87
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.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		 4gf4 PORIN B
(Pseudomonas
putida) 		4 / 5 VAL A 192
GLY A 193
VAL A 180
TRP A 120
 C8E  A 503 (-4.2A)
C8E  A 503 ( 4.6A)
C8E  A 503 ( 4.9A)
None
 1.34A 1tkqB-4gf4A:
undetectable		 1tkqB-4gf4A:
2.98
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 6 LEU A  51
LEU A 100
SER A 103
SER A 136
 C8E  A 403 ( 4.6A)
None
None
None
 0.78A 1tz8C-4fspA:
undetectable
1tz8D-4fspA:
undetectable		 1tz8C-4fspA:
16.95
1tz8D-4fspA:
16.95
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 6 LEU A 186
LEU A 144
SER A 136
SER A 103
 C8E  A 408 (-4.5A)
None
None
None
 0.65A 1tz8C-4fspA:
undetectable
1tz8D-4fspA:
undetectable		 1tz8C-4fspA:
16.95
1tz8D-4fspA:
16.95
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.
1UTD_M_TRPM81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 11 GLY A 609
THR A  58
THR A  55
ARG A  86
THR A 162
 C8E  A 702 ( 4.0A)
None
None
None
None
 1.36A 1utdM-5ivaA:
undetectable
1utdN-5ivaA:
undetectable		 1utdM-5ivaA:
8.31
1utdN-5ivaA:
8.31
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.72A 1w2zB-4nreA:
undetectable		 1w2zB-4nreA:
20.47
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.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.70A 1w2zD-4nreA:
undetectable		 1w2zD-4nreA:
20.47
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 3dzm HYPOTHETICAL
CONSERVED PROTEIN
(Thermus
thermophilus) 		5 / 11 TRP A  59
GLY A 108
GLY A 107
PHE A 105
PHE A 189
 None
None
None
C8E  A 209 ( 4.8A)
None
 1.27A 1w76A-3dzmA:
undetectable		 1w76A-3dzmA:
18.17
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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)		 6ehe OMPT PROTEIN
(Vibrio
cholerae) 		3 / 3 ASP A  93
GLU A  57
ARG A 282
 C8E  A 407 (-3.8A)
None
ACT  A 410 ( 4.6A)
 0.88A 1wopA-6eheA:
undetectable		 1wopA-6eheA:
undetectable
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		 4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A  59
LEU A  62
ALA A  98
LEU A 132
THR A 117
 None
C8E  A 502 ( 4.3A)
C8E  A 502 ( 3.8A)
None
None
 1.31A 1ya3A-4frxA:
undetectable		 1ya3A-4frxA:
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP
(Pseudomonas
aeruginosa) 		4 / 5 PRO A 165
GLY A 279
ASN A 278
GLY A 259
 None
C8E  A 471 (-4.1A)
None
None
 1.00A 1zlqA-3sybA:
undetectable		 1zlqA-3sybA:
22.22
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		 4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A  59
LEU A  62
ALA A  98
LEU A 132
THR A 117
 None
C8E  A 502 ( 4.3A)
C8E  A 502 ( 3.8A)
None
None
 1.30A 2aa5B-4frxA:
undetectable		 2aa5B-4frxA:
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1eth TRIACYLGLYCEROL
ACYL-HYDROLASE
(Sus
scrofa) 		3 / 3 ASP A  85
ILE A 252
VAL A 260
 None
None
C8E  A 456 ( 4.0A)
 0.54A 2avvD-1ethA:
undetectable		 2avvD-1ethA:
12.67
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.
2DPZ_A_TYLA2001_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4fuv PORIN PROTEIN
ASSOCIATED WITH
IMIPENEM RESISTANCE
(Acinetobacter
baumannii) 		4 / 6 LEU A 214
ALA A 102
ASP A 107
TYR A 108
 None
None
None
C8E  A 303 ( 4.4A)
 1.14A 2dpzA-4fuvA:
undetectable		 2dpzA-4fuvA:
17.80
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 2o4v PORIN P
(Pseudomonas
aeruginosa) 		4 / 7 ASN A 173
ASP A 178
THR A 149
GLY A 148
 None
None
C8E  A1297 ( 4.7A)
None
 0.98A 2f6dA-2o4vA:
undetectable		 2f6dA-2o4vA:
24.52
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 2o4v PORIN P
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 298
GLU A 264
HIS A 200
GLY A 265
 None
None
None
C8E  A1298 (-3.4A)
 1.09A 2ha4A-2o4vA:
undetectable		 2ha4A-2o4vA:
22.28
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 2o4v PORIN P
(Pseudomonas
aeruginosa) 		4 / 7 TYR A 298
GLU A 264
HIS A 200
GLY A 265
 None
None
None
C8E  A1298 (-3.4A)
 1.09A 2ha4B-2o4vA:
undetectable		 2ha4B-2o4vA:
22.28
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.
2IZQ_B_DVAB6_0
(GRAMICIDIN D)		 4ft6 PROBABLE PORIN
(Pseudomonas
aeruginosa) 		3 / 3 TRP A 361
ALA A 318
VAL A 343
 None
C8E  A 404 ( 4.5A)
C8E  A 404 ( 4.9A)
 0.85A 2izqA-4ft6A:
undetectable
2izqB-4ft6A:
undetectable		 2izqA-4ft6A:
3.39
2izqB-4ft6A:
3.39
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.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 2x27 OUTER MEMBRANE
PROTEIN OPRG
(Pseudomonas
aeruginosa) 		4 / 6 PHE X 155
ARG X  13
GLN X 100
LEU X 149
 C8E  X1224 ( 4.7A)
None
None
C8E  X1223 (-4.1A)
 1.19A 2nyrA-2x27X:
undetectable		 2nyrA-2x27X:
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.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.73A 2oqeC-4nreA:
undetectable		 2oqeC-4nreA:
22.89
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.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.73A 2oqeF-4nreA:
undetectable		 2oqeF-4nreA:
22.89
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.
2PNJ_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3t24 PORIN
(Pseudomonas
aeruginosa) 		4 / 4 LEU A 111
PRO A 113
LEU A 150
ARG A 149
 None
None
None
C8E  A 401 ( 4.4A)
 1.23A 2pnjB-3t24A:
undetectable		 2pnjB-3t24A:
23.37
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.
2QHF_A_ACTA504_0
(CHORISMATE SYNTHASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		4 / 5 SER A 557
HIS A 373
LEU A 607
SER A 611
 GOL  A 718 (-2.0A)
C8E  A 702 ( 3.5A)
C8E  A 702 ( 4.3A)
None
 1.36A 2qhfA-4nreA:
undetectable		 2qhfA-4nreA:
20.65
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.70A 2w0qA-4nreA:
undetectable		 2w0qA-4nreA:
21.77
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.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.70A 2w0qB-4nreA:
undetectable		 2w0qB-4nreA:
21.77
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.09A 2w3bB-3dwoX:
undetectable		 2w3bB-3dwoX:
19.38
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.09A 2w3mA-3dwoX:
undetectable		 2w3mA-3dwoX:
19.38
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.08A 2w3mB-3dwoX:
undetectable		 2w3mB-3dwoX:
19.38
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		5 / 10 ILE A  49
LEU A  70
VAL A  90
GLY A  91
GLY A  73
 None
None
C8E  A 309 (-4.8A)
None
None
 1.25A 2wd9C-4rl8A:
undetectable		 2wd9C-4rl8A:
19.12
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		4 / 6 PRO X 119
ILE X 141
ASN X 238
LEU X 240
 None
C8E  X 454 (-4.1A)
None
None
 1.27A 2wekB-3dwoX:
undetectable		 2wekB-3dwoX:
22.25
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.
2YVL_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR
(Pseudomonas
aeruginosa) 		3 / 3 GLU A 531
ASP A 558
TYR A 535
 None
None
C8E  A 802 ( 3.9A)
 0.87A 2yvlB-5necA:
undetectable		 2yvlB-5necA:
undetectable
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5dl7 PORIN
(Acinetobacter
baumannii) 		4 / 8 ARG A 250
ASP A 339
LEU A 341
ASP A 345
 C8E  A 511 (-2.9A)
None
None
None
 0.80A 2zw9A-5dl7A:
undetectable		 2zw9A-5dl7A:
20.96
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.
3BOG_D_DVAD47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2por PORIN
(Rhodobacter
capsulatus) 		4 / 4 GLY A  90
GLY A 280
GLY A 266
GLY A 279
 None
C8E  A 546 (-3.9A)
C8E  A 546 ( 4.4A)
C8E  A 546 ( 4.3A)
 0.65A 3bogD-2porA:
undetectable		 3bogD-2porA:
15.61
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.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		 3bry TBUX
(Ralstonia
pickettii) 		5 / 12 LEU A 169
LEU A 168
GLN A 129
LEU A 165
LEU A 328
 None
None
None
None
C8E  A 502 (-4.8A)
 1.20A 3d90B-3bryA:
undetectable		 3d90B-3bryA:
18.98
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.
3D91_A_REMA350_2
(RENIN)		 5onu OUTER MEMBRANE
PROTEIN OMPU
(Vibrio
cholerae) 		4 / 5 TYR A 320
ALA A 306
ALA A 286
TYR A 280
 None
None
C8E  A 401 ( 4.0A)
None
 1.22A 3d91A-5onuA:
undetectable		 3d91A-5onuA:
13.50
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.
3EM6_A_017A200_1
(PROTEASE)		 1qjp OUTER MEMBRANE
PROTEIN A
(Escherichia
coli) 		5 / 8 GLY A  36
ALA A  37
ASP A  56
GLY A 165
LEU A 164
 None
C8E  A1176 (-3.7A)
None
None
C8E  A1173 ( 4.3A)
 1.25A 3em6A-1qjpA:
undetectable		 3em6A-1qjpA:
22.49
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.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		3 / 3 HIS A 378
HIS A 373
HIS A 553
 C8E  A 702 ( 2.6A)
C8E  A 702 ( 3.5A)
FE2  A 701 (-3.4A)
 0.73A 3hiiB-4nreA:
undetectable		 3hiiB-4nreA:
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.
3IB0_A_DIFA701_1
(LACTOTRANSFERRIN)		 3t24 PORIN
(Pseudomonas
aeruginosa) 		4 / 4 PRO A 116
TYR A 215
GLY A 217
THR A 200
 None
None
None
C8E  A 404 (-3.9A)
 1.43A 3ib0A-3t24A:
undetectable		 3ib0A-3t24A:
22.06
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.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3brz TODX
(Pseudomonas
putida) 		5 / 12 VAL A 187
LEU A 190
LEU A 182
SER A 255
GLY A 320
 C8E  A 501 ( 4.3A)
C8E  A 501 ( 4.2A)
None
None
None
 1.17A 3kk6B-3brzA:
undetectable		 3kk6B-3brzA:
22.84
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.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 5o77 OMPK35
(Klebsiella
pneumoniae) 		4 / 4 GLY A  55
TYR A  54
GLY A  80
ASP A  90
 None
C8E  A 404 (-3.4A)
None
None
 0.67A 3kl3A-5o77A:
undetectable		 3kl3A-5o77A:
undetectable
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.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 11 ASP A  57
SER A  56
PHE A 611
PHE A 572
ASP A 593
 None
C8E  A 702 ( 4.9A)
None
None
None
 1.44A 3ko0C-5ivaA:
undetectable
3ko0D-5ivaA:
undetectable
3ko0E-5ivaA:
undetectable
3ko0F-5ivaA:
undetectable		 3ko0C-5ivaA:
10.61
3ko0D-5ivaA:
10.61
3ko0E-5ivaA:
10.61
3ko0F-5ivaA:
10.61
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.
3KO0_G_TFPG202_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 10 ASP A  57
SER A  56
PHE A 611
PHE A 572
ASP A 593
 None
C8E  A 702 ( 4.9A)
None
None
None
 1.44A 3ko0E-5ivaA:
undetectable
3ko0F-5ivaA:
undetectable
3ko0G-5ivaA:
undetectable
3ko0H-5ivaA:
undetectable		 3ko0E-5ivaA:
10.61
3ko0F-5ivaA:
10.61
3ko0G-5ivaA:
10.61
3ko0H-5ivaA:
10.61
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 11 PHE A 572
ASP A 593
PHE A 611
ASP A  57
SER A  56
 None
None
None
None
C8E  A 702 ( 4.9A)
 1.40A 3ko0O-5ivaA:
undetectable
3ko0P-5ivaA:
undetectable
3ko0Q-5ivaA:
undetectable
3ko0R-5ivaA:
undetectable		 3ko0O-5ivaA:
10.61
3ko0P-5ivaA:
10.61
3ko0Q-5ivaA:
10.61
3ko0R-5ivaA:
10.61
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.
3KO0_R_TFPR202_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 11 ASP A 593
PHE A 572
ASP A  57
SER A  56
PHE A 611
 None
None
None
C8E  A 702 ( 4.9A)
None
 1.48A 3ko0Q-5ivaA:
undetectable
3ko0R-5ivaA:
undetectable
3ko0S-5ivaA:
undetectable
3ko0T-5ivaA:
undetectable		 3ko0Q-5ivaA:
10.61
3ko0R-5ivaA:
10.61
3ko0S-5ivaA:
10.61
3ko0T-5ivaA:
10.61
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3bry TBUX
(Ralstonia
pickettii) 		4 / 7 LEU A 165
LEU A 248
ILE A 202
PHE A 204
 None
None
C8E  A 502 (-4.0A)
None
 0.86A 3ln1B-3bryA:
undetectable		 3ln1B-3bryA:
21.17
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		4 / 8 ILE X  98
SER X  14
GLY X  12
ASN X 147
 None
C8E  X 623 (-2.9A)
None
C8E  X 623 (-3.1A)
 0.92A 3lslA-3kvnX:
undetectable
3lslD-3kvnX:
undetectable		 3lslA-3kvnX:
16.61
3lslD-3kvnX:
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		4 / 8 ILE X  98
SER X  16
GLY X  12
ASN X 147
 None
None
None
C8E  X 623 (-3.1A)
 0.86A 3lslA-3kvnX:
undetectable
3lslD-3kvnX:
undetectable		 3lslA-3kvnX:
16.61
3lslD-3kvnX:
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		4 / 8 ASN X 147
ILE X  98
SER X  14
GLY X  12
 C8E  X 623 (-3.1A)
None
C8E  X 623 (-2.9A)
None
 0.95A 3lslA-3kvnX:
undetectable
3lslD-3kvnX:
undetectable		 3lslA-3kvnX:
16.61
3lslD-3kvnX:
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		4 / 8 ASN X 147
ILE X  98
SER X  16
GLY X  12
 C8E  X 623 (-3.1A)
None
None
None
 0.88A 3lslA-3kvnX:
undetectable
3lslD-3kvnX:
undetectable		 3lslA-3kvnX:
16.61
3lslD-3kvnX:
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 10 ASP A  57
SER A  56
PHE A 611
ASP A 593
PHE A 572
 None
C8E  A 702 ( 4.9A)
None
None
None
 1.37A 3m0wA-5ivaA:
undetectable
3m0wB-5ivaA:
undetectable
3m0wI-5ivaA:
undetectable
3m0wJ-5ivaA:
undetectable		 3m0wA-5ivaA:
11.73
3m0wB-5ivaA:
11.73
3m0wI-5ivaA:
11.73
3m0wJ-5ivaA:
11.73
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.
3M0W_B_P77B203_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 9 PHE A 611
ASP A  57
SER A  56
PHE A 572
ASP A 593
 None
None
C8E  A 702 ( 4.9A)
None
None
 1.39A 3m0wA-5ivaA:
undetectable
3m0wB-5ivaA:
undetectable
3m0wC-5ivaA:
undetectable
3m0wD-5ivaA:
undetectable		 3m0wA-5ivaA:
11.73
3m0wB-5ivaA:
11.73
3m0wC-5ivaA:
11.73
3m0wD-5ivaA:
11.73
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.
3M0W_D_P77D203_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 10 PHE A 572
ASP A 593
PHE A 611
ASP A  57
SER A  56
 None
None
None
None
C8E  A 702 ( 4.9A)
 1.41A 3m0wA-5ivaA:
undetectable
3m0wB-5ivaA:
undetectable
3m0wC-5ivaA:
undetectable
3m0wD-5ivaA:
undetectable		 3m0wA-5ivaA:
11.73
3m0wB-5ivaA:
11.73
3m0wC-5ivaA:
11.73
3m0wD-5ivaA:
11.73
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 10 ASP A 593
PHE A 572
PHE A 611
ASP A  57
SER A  56
 None
None
None
None
C8E  A 702 ( 4.9A)
 1.37A 3m0wE-5ivaA:
undetectable
3m0wF-5ivaA:
undetectable
3m0wG-5ivaA:
undetectable
3m0wH-5ivaA:
undetectable		 3m0wE-5ivaA:
11.73
3m0wF-5ivaA:
11.73
3m0wG-5ivaA:
11.73
3m0wH-5ivaA:
11.73
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		 4gf4 PORIN B
(Pseudomonas
putida) 		5 / 12 LEU A 295
LEU A 319
VAL A 320
VAL A 284
GLN A 283
 None
C8E  A 501 ( 4.4A)
None
C8E  A 501 ( 4.8A)
None
 1.32A 3m7rA-4gf4A:
undetectable		 3m7rA-4gf4A:
21.17
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP
(Pseudomonas
aeruginosa) 		4 / 4 GLY A 320
GLU A 322
ASP A 385
ASP A 296
 None
None
None
C8E  A 471 ( 4.8A)
 1.40A 3mb5A-3sybA:
undetectable		 3mb5A-3sybA:
18.46
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		4 / 7 GLY X  92
SER X  14
LEU X 150
HIS X 289
 C8E  X 623 ( 4.4A)
C8E  X 623 (-2.9A)
None
C8E  X 623 (-4.4A)
 0.71A 3o9mA-3kvnX:
undetectable		 3o9mA-3kvnX:
22.45
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		4 / 6 GLY X  92
SER X  14
LEU X 150
HIS X 289
 C8E  X 623 ( 4.4A)
C8E  X 623 (-2.9A)
None
C8E  X 623 (-4.4A)
 0.79A 3o9mB-3kvnX:
undetectable		 3o9mB-3kvnX:
22.45
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		5 / 12 TYR A 198
GLY A 213
SER A 197
LEU A 231
HIS A 210
 C8E  A 408 ( 3.9A)
None
None
None
C8E  A 408 ( 4.2A)
 1.27A 3ou7C-4fspA:
undetectable		 3ou7C-4fspA:
20.19
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		 4fso PROBABLE PORIN
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 222
GLY A 199
VAL A 196
ASN A 197
ALA A 220
 C8E  A 506 (-3.4A)
None
None
None
C8E  A 506 ( 3.9A)
 1.06A 3p2kC-4fsoA:
undetectable		 3p2kC-4fsoA:
19.76
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 11 ILE X 373
ALA X   1
MET X 120
PHE X   3
SER X 313
 C8E  X 454 ( 4.0A)
None
None
C8E  X 454 ( 4.7A)
None
 1.19A 3qg2B-3dwoX:
undetectable		 3qg2B-3dwoX:
21.25
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)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		4 / 7 GLN A 560
HIS A 373
GLU A 671
PRO A 614
 None
C8E  A 702 ( 3.5A)
GOL  A 718 ( 4.8A)
None
 1.20A 3ql6A-4nreA:
undetectable		 3ql6A-4nreA:
23.82
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 3v8x TRANSFERRIN-BINDING
PROTEIN 1
(Neisseria
meningitidis) 		5 / 12 TYR A 473
GLY A 474
GLU A 475
ALA A 124
ASP A 571
 None
C8E  A1001 (-4.3A)
None
None
None
 1.24A 3qowA-3v8xA:
undetectable		 3qowA-3v8xA:
19.10
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		 2qtk PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 8 ASP A 378
SER A 368
HIS A 366
ASP A  23
 None
None
C8E  A 393 ( 4.4A)
None
 1.09A 3sg9B-2qtkA:
undetectable		 3sg9B-2qtkA:
20.62
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		5 / 12 ASP A 428
VAL A 427
ILE A 435
GLY A 437
ILE A 298
 None
C8E  A 702 ( 4.2A)
None
None
None
 1.06A 3spkB-4nreA:
undetectable		 3spkB-4nreA:
9.44
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.
3SUE_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 4fuv PORIN PROTEIN
ASSOCIATED WITH
IMIPENEM RESISTANCE
(Acinetobacter
baumannii) 		4 / 5 TYR A  41
ILE A  17
LEU A  16
LYS A  13
 None
C8E  A 308 ( 4.9A)
C8E  A 308 (-4.8A)
None
 1.16A 3sueC-4fuvA:
undetectable		 3sueC-4fuvA:
20.66
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.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 2x27 OUTER MEMBRANE
PROTEIN OPRG
(Pseudomonas
aeruginosa) 		5 / 12 GLN X 100
GLY X 154
GLY X 115
ALA X 168
ASN X 166
 None
None
C8E  X1227 (-3.5A)
None
None
 1.11A 3t7sA-2x27X:
undetectable		 3t7sA-2x27X:
22.43
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 2x27 OUTER MEMBRANE
PROTEIN OPRG
(Pseudomonas
aeruginosa) 		5 / 12 GLN X 100
GLY X 154
GLY X 115
ALA X 168
ASN X 166
 None
None
C8E  X1227 (-3.5A)
None
None
 1.12A 3t7sC-2x27X:
undetectable		 3t7sC-2x27X:
22.43
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 3v8x TRANSFERRIN-BINDING
PROTEIN 1
(Neisseria
meningitidis) 		4 / 7 GLY A 507
TYR A 473
GLY A 436
THR A 404
 C8E  A1001 (-4.4A)
None
C8E  A1001 ( 4.2A)
None
 0.80A 3tajA-3v8xA:
undetectable		 3tajA-3v8xA:
16.96
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 2por PORIN
(Rhodobacter
capsulatus) 		5 / 11 GLY A 247
VAL A 278
GLY A 279
GLY A 280
ILE A 281
 None
None
C8E  A 546 ( 4.3A)
C8E  A 546 (-3.9A)
C8E  A 546 ( 4.9A)
 0.89A 3ufnA-2porA:
undetectable		 3ufnA-2porA:
14.62
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.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		4 / 6 ASP A 105
GLY A 111
ASP A 113
THR A 114
 None
C8E  A 407 ( 4.9A)
C8E  A 407 (-3.3A)
None
 0.99A 3vqrA-5fvnA:
undetectable		 3vqrA-5fvnA:
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.
4ACA_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 9 ASP X 283
ILE X 284
THR X 143
GLY X 121
ARG X 378
 None
None
None
C8E  X 455 (-3.5A)
C8E  X 455 (-3.7A)
 1.19A 4acaB-3dwoX:
undetectable
4acaC-3dwoX:
undetectable		 4acaB-3dwoX:
21.06
4acaC-3dwoX:
21.06
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 4fso PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 7 ALA A 115
ALA A  98
LEU A 134
THR A 159
 None
C8E  A 507 ( 3.7A)
None
None
 0.95A 4du2A-4fsoA:
undetectable		 4du2A-4fsoA:
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1eth TRIACYLGLYCEROL
ACYL-HYDROLASE
(Sus
scrofa) 		3 / 3 ARG A 112
TRP A 107
GLY A  77
 None
None
C8E  A 456 (-3.2A)
 0.90A 4e7cA-1ethA:
0.0		 4e7cA-1ethA:
23.68
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.
4E7C_C_ACTC506_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1eth TRIACYLGLYCEROL
ACYL-HYDROLASE
(Sus
scrofa) 		4 / 5 ARG A 112
TRP A 107
HIS A  76
GLY A  77
 None
None
None
C8E  A 456 (-3.2A)
 1.16A 4e7cC-1ethA:
0.0		 4e7cC-1ethA:
23.68
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		4 / 7 PHE A 184
TYR A 176
HIS A 411
HIS A 378
 None
None
None
C8E  A 702 ( 2.6A)
 1.08A 4g5jA-4nreA:
undetectable		 4g5jA-4nreA:
18.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		5 / 9 TYR A  22
PHE A 110
ASP A 113
SER A 117
ARG A 170
 None
C8E  A 407 (-4.6A)
C8E  A 407 (-3.3A)
PO4  A 411 (-2.6A)
PO4  A 411 (-3.1A)
 0.90A 4gcpA-5fvnA:
43.6		 4gcpA-5fvnA:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		5 / 9 TYR A  22
PHE A 110
ASP A 113
SER A 117
ARG A 170
 None
C8E  A 407 (-4.6A)
C8E  A 407 (-3.3A)
PO4  A 411 (-2.6A)
PO4  A 411 (-3.1A)
 1.43A 4gcpA-5fvnA:
43.6		 4gcpA-5fvnA:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GCP_B_AICB401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		5 / 9 TYR A  22
PHE A 110
ASP A 113
SER A 117
ARG A 170
 None
C8E  A 407 (-4.6A)
C8E  A 407 (-3.3A)
PO4  A 411 (-2.6A)
PO4  A 411 (-3.1A)
 0.88A 4gcpB-5fvnA:
43.6		 4gcpB-5fvnA:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GCP_B_AICB401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		5 / 9 TYR A  22
PHE A 110
ASP A 113
SER A 117
ARG A 170
 None
C8E  A 407 (-4.6A)
C8E  A 407 (-3.3A)
PO4  A 411 (-2.6A)
PO4  A 411 (-3.1A)
 1.42A 4gcpB-5fvnA:
43.6		 4gcpB-5fvnA:
61.41
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2x56 COAGULASE/FIBRINOLYS
IN
(Yersinia
pestis) 		4 / 8 ASP A 204
ASP A  86
GLU A 217
ASP A  84
 None
None
C8E  A1308 (-4.0A)
None
 1.03A 4gkhC-2x56A:
undetectable
4gkhK-2x56A:
undetectable		 4gkhC-2x56A:
23.78
4gkhK-2x56A:
23.78
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		4 / 8 ASP A 206
ASP A 257
ASP A 238
ASP A 122
 C8E  A 703 ( 4.1A)
None
None
None
 1.05A 4gkhC-5ivaA:
undetectable
4gkhK-5ivaA:
undetectable		 4gkhC-5ivaA:
18.32
4gkhK-5ivaA:
18.32
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2x56 COAGULASE/FIBRINOLYS
IN
(Yersinia
pestis) 		4 / 8 ASP A 204
ASP A  86
GLU A 217
ASP A  84
 None
None
C8E  A1308 (-4.0A)
None
 0.98A 4gkiE-2x56A:
undetectable
4gkiG-2x56A:
undetectable		 4gkiE-2x56A:
23.78
4gkiG-2x56A:
23.78
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		4 / 8 ASP A 206
ASP A 257
ASP A 238
ASP A 122
 C8E  A 703 ( 4.1A)
None
None
None
 1.03A 4gkiE-5ivaA:
undetectable
4gkiG-5ivaA:
undetectable		 4gkiE-5ivaA:
18.32
4gkiG-5ivaA:
18.32
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.
4H2F_A_ADNA601_1
(5'-NUCLEOTIDASE)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 9 ASN X 147
GLY X 145
GLY X 146
GLY X 144
ASP X  13
 C8E  X 623 (-3.1A)
None
C8E  X 623 ( 3.7A)
None
C8E  X 623 ( 4.2A)
 1.29A 4h2fA-3kvnX:
undetectable		 4h2fA-3kvnX:
21.87
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		4 / 5 PRO X 374
ASP X 375
ILE X  54
VAL X   5
 C8E  X 455 (-3.9A)
C8E  X 455 (-4.2A)
C8E  X 455 (-4.0A)
C8E  X 455 ( 4.8A)
 1.43A 4hytA-3dwoX:
undetectable		 4hytA-3dwoX:
18.32
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.07A 4kebB-3dwoX:
undetectable		 4kebB-3dwoX:
19.20
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 3v8x TRANSFERRIN-BINDING
PROTEIN 1
(Neisseria
meningitidis) 		3 / 3 GLY A 436
GLU A 401
THR A 402
 C8E  A1001 ( 4.2A)
None
None
 0.59A 4kouA-3v8xA:
undetectable		 4kouA-3v8xA:
10.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		4 / 8 LYS A  16
TYR A  35
ARG A  74
ARG A 124
 None
C8E  A 408 (-4.1A)
None
None
 0.78A 4kr4C-5fvnA:
38.2		 4kr4C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		4 / 8 LYS A  16
TYR A  35
ASP A 105
ARG A 124
 None
C8E  A 408 (-4.1A)
None
None
 0.73A 4kr4C-5fvnA:
38.2		 4kr4C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 5o77 OMPK35
(Klebsiella
pneumoniae) 		5 / 8 LYS A  16
TYR A  36
ARG A  75
ASP A 106
ARG A 126
 None
None
C8E  A 403 (-3.1A)
TRS  A 401 ( 4.4A)
TRS  A 401 ( 2.9A)
 0.80A 4kr4C-5o77A:
39.0		 4kr4C-5o77A:
63.41
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 5onu OUTER MEMBRANE
PROTEIN OMPU
(Vibrio
cholerae) 		4 / 8 TYR A 312
ARG A 318
ARG A 347
ASP A 146
 C8E  A 401 (-3.6A)
None
None
None
 1.21A 4kr4C-5onuA:
27.0		 4kr4C-5onuA:
15.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR8_C_DM1C401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		5 / 10 ARG A 124
ARG A  74
TYR A  35
TYR A 115
ARG A  37
 None
None
C8E  A 408 (-4.1A)
None
None
 1.46A 4kr8C-5fvnA:
40.2		 4kr8C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR8_C_DM1C401_1
(OUTER MEMBRANE
PROTEIN F)		 5fvn OMPC PORIN
(Enterobacter
cloacae) 		5 / 10 LYS A  16
TYR A  35
ARG A  74
TYR A  94
ARG A 124
 None
C8E  A 408 (-4.1A)
None
None
None
 0.90A 4kr8C-5fvnA:
40.2		 4kr8C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KR8_C_DM1C401_1
(OUTER MEMBRANE
PROTEIN F)		 5o77 OMPK35
(Klebsiella
pneumoniae) 		6 / 10 LYS A  16
TYR A  36
ARG A  75
TYR A  95
THR A 119
ARG A 126
 None
None
C8E  A 403 (-3.1A)
None
TRS  A 401 (-4.5A)
TRS  A 401 ( 2.9A)
 0.66A 4kr8C-5o77A:
41.4		 4kr8C-5o77A:
63.41
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 1eth TRIACYLGLYCEROL
ACYL-HYDROLASE
(Sus
scrofa) 		3 / 3 HIS A 152
TRP A 107
SER A 267
 C8E  A 456 (-3.3A)
None
None
 1.21A 4lrhD-1ethA:
0.0		 4lrhD-1ethA:
18.97
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.
4M48_A_21BA704_1
(TRANSPORTER)		 2qtk PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 8 PHE A 311
VAL A 323
TYR A 307
GLY A 321
 None
C8E  A 393 ( 4.4A)
C8E  A 394 ( 3.6A)
C8E  A 393 (-3.7A)
 0.76A 4m48A-2qtkA:
undetectable		 4m48A-2qtkA:
21.64
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.
4MM4_A_8PRA603_1
(TRANSPORTER)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 12 VAL X  90
ALA X  89
TYR X  93
PHE X  21
GLY X  19
 None
None
None
C8E  X 624 ( 4.0A)
None
 1.30A 4mm4A-3kvnX:
undetectable		 4mm4A-3kvnX:
23.25
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.
4MM4_B_8PRB603_1
(TRANSPORTER)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 12 VAL X  90
ALA X  89
TYR X  93
PHE X  21
GLY X  19
 None
None
None
C8E  X 624 ( 4.0A)
None
 1.28A 4mm4B-3kvnX:
undetectable		 4mm4B-3kvnX:
23.25
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.
4MM6_A_29EA603_1
(TRANSPORTER)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 12 VAL X  90
ALA X  89
TYR X  93
PHE X  21
GLY X  19
 None
None
None
C8E  X 624 ( 4.0A)
None
 1.29A 4mm6A-3kvnX:
0.0		 4mm6A-3kvnX:
23.25
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.
4MME_B_29QB603_1
(TRANSPORTER)		 1prn PORIN
(Rhodobacter
blasticus) 		5 / 9 TYR A 240
VAL A 280
ALA A 281
GLY A 108
PHE A 107
 None
None
C8E  A 901 (-3.6A)
None
None
 1.31A 4mmeB-1prnA:
undetectable		 4mmeB-1prnA:
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.
4MMF_A_29QA603_1
(TRANSPORTER)		 2por PORIN
(Rhodobacter
capsulatus) 		5 / 9 ASP A  93
VAL A 292
ALA A 293
GLY A  99
GLY A 280
 CA  A 303 (-2.1A)
None
C8E  A 546 ( 4.2A)
None
C8E  A 546 (-3.9A)
 1.36A 4mmfA-2porA:
undetectable		 4mmfA-2porA:
22.65
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.
4MMF_B_29QB603_1
(TRANSPORTER)		 2por PORIN
(Rhodobacter
capsulatus) 		5 / 9 ASP A  93
VAL A 292
ALA A 293
GLY A  99
GLY A 280
 CA  A 303 (-2.1A)
None
C8E  A 546 ( 4.2A)
None
C8E  A 546 (-3.9A)
 1.36A 4mmfB-2porA:
undetectable		 4mmfB-2porA:
22.65
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)		 2qtk PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 6 LEU A 145
GLU A 141
VAL A 137
ALA A 149
 None
None
C8E  A 395 ( 4.7A)
C8E  A 395 ( 4.4A)
 0.88A 4nkxA-2qtkA:
undetectable		 4nkxA-2qtkA:
22.31
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2x56 COAGULASE/FIBRINOLYS
IN
(Yersinia
pestis) 		5 / 12 ASN A 115
GLY A  55
GLY A  71
GLY A 287
PHE A 242
 None
C8E  A1296 (-3.5A)
C8E  A1296 (-4.0A)
C8E  A1300 ( 4.3A)
None
 0.89A 4obwB-2x56A:
undetectable		 4obwB-2x56A:
19.80
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5dl7 PORIN
(Acinetobacter
baumannii) 		5 / 12 LEU A  10
GLY A  37
PHE A  40
ALA A  35
ASN A  14
 None
None
None
None
C8E  A 510 (-4.1A)
 1.38A 4pclB-5dl7A:
undetectable		 4pclB-5dl7A:
21.03
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR
(Acinetobacter
baumannii) 		5 / 12 SER A 488
THR A 519
TYR A 485
GLU A 568
GLY A 131
 None
None
C8E  A1720 ( 4.3A)
None
None
 1.45A 4qb9E-5fp1A:
undetectable		 4qb9E-5fp1A:
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		6 / 12 ALA X 195
LEU X 150
SER X 206
SER X 209
GLY X 146
GLY X  92
 None
None
None
None
C8E  X 623 ( 3.7A)
C8E  X 623 ( 4.4A)
 1.48A 4rzvA-3kvnX:
undetectable		 4rzvA-3kvnX:
19.28
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.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR
(Acinetobacter
baumannii) 		3 / 3 THR A 639
ASN A 621
SER A 622
 None
None
C8E  A1731 (-3.2A)
 0.68A 4tvtA-5fr8A:
undetectable		 4tvtA-5fr8A:
14.83
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		5 / 9 PHE A 365
LEU A 570
VAL A 426
VAL A 603
LEU A 420
 None
None
C8E  A 702 ( 4.0A)
C8E  A 702 ( 4.1A)
C8E  A 702 (-3.6A)
 1.29A 4wnvA-4nreA:
1.3		 4wnvA-4nreA:
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.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR
(Pseudomonas
aeruginosa) 		4 / 4 ASN A 121
SER A 227
ALA A 211
VAL A 210
 None
None
None
C8E  A1722 ( 4.7A)
 1.01A 4x1kC-5fokA:
undetectable		 4x1kC-5fokA:
20.05
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.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 4rlc OUTER MEMBRANE PORIN
F
(Pseudomonas
aeruginosa) 		5 / 10 ASP A 134
ALA A  10
PHE A  11
SER A 132
GLY A 155
 None
C8E  A 202 ( 4.1A)
None
None
None
 1.21A 4xp1A-4rlcA:
undetectable		 4xp1A-4rlcA:
16.24
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP
(Pseudomonas
aeruginosa) 		4 / 5 GLY A 320
TYR A 280
GLU A 322
ASP A 296
 None
None
None
C8E  A 471 ( 4.8A)
 1.36A 4xueA-3sybA:
undetectable		 4xueA-3sybA:
20.56
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.
4XV2_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 4 GLY A 185
LEU A 149
PHE A 129
ILE A 117
 C8E  A 406 ( 4.0A)
None
None
None
 0.98A 4xv2A-4fspA:
undetectable		 4xv2A-4fspA:
21.94
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_GLYB401_0
(GLYCINE OXIDASE)		 6ehe OMPT PROTEIN
(Vibrio
cholerae) 		4 / 6 LYS A 123
GLY A 136
TYR A 137
ALA A 149
 None
C8E  A 404 (-4.5A)
None
C8E  A 404 (-3.6A)
 1.32A 4yshB-6eheA:
undetectable		 4yshB-6eheA:
undetectable
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		 4fso PROBABLE PORIN
(Pseudomonas
aeruginosa) 		5 / 10 ARG A 236
ALA A 293
SER A 232
LEU A 260
ALA A 261
 None
None
None
C8E  A 504 ( 4.7A)
None
 1.21A 4zbrA-4fsoA:
undetectable		 4zbrA-4fsoA:
21.44
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.
4ZJQ_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 5dl5 MEMBRANE PROTEIN
(Acinetobacter
baumannii) 		5 / 12 SER A  37
THR A  35
ILE A 312
ASP A 159
ARG A 405
 None
None
None
None
C8E  A 501 (-3.0A)
 1.21A 4zjqD-5dl5A:
undetectable		 4zjqD-5dl5A:
18.38
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2qtk PROBABLE PORIN
(Pseudomonas
aeruginosa) 		5 / 12 ALA A 161
GLY A  65
GLY A  93
GLY A  62
LEU A 127
 None
None
None
C8E  A 396 ( 4.6A)
None
 1.13A 5c0oE-2qtkA:
undetectable		 5c0oE-2qtkA:
24.09
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.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		 5dl5 MEMBRANE PROTEIN
(Acinetobacter
baumannii) 		4 / 6 SER A  37
GLY A  65
ASP A  64
ARG A  94
 None
C8E  A 502 (-3.9A)
None
None
 0.91A 5cdpA-5dl5A:
undetectable
5cdpB-5dl5A:
undetectable		 5cdpA-5dl5A:
21.76
5cdpB-5dl5A:
18.79
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 3v8x TRANSFERRIN-BINDING
PROTEIN 1
(Neisseria
meningitidis) 		5 / 10 ALA A 654
GLU A 655
ARG A 649
GLY A 474
LEU A 510
 None
None
None
C8E  A1001 (-4.3A)
None
 1.30A 5dx3A-3v8xA:
undetectable		 5dx3A-3v8xA:
12.44
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 3v8x TRANSFERRIN-BINDING
PROTEIN 1
(Neisseria
meningitidis) 		5 / 10 ALA A 654
GLU A 655
ARG A 649
GLY A 474
LEU A 510
 None
None
None
C8E  A1001 (-4.3A)
None
 1.27A 5dxbA-3v8xA:
undetectable		 5dxbA-3v8xA:
12.44
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.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		 3v8x TRANSFERRIN-BINDING
PROTEIN 1
(Neisseria
meningitidis) 		5 / 11 ALA A 654
GLU A 655
ARG A 649
GLY A 474
LEU A 510
 None
None
None
C8E  A1001 (-4.3A)
None
 1.25A 5dxgB-3v8xA:
undetectable		 5dxgB-3v8xA:
12.44
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.
5EEU_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 9 ARG A  86
THR A 162
GLY A 609
THR A  58
THR A  55
 None
None
C8E  A 702 ( 4.0A)
None
None
 1.36A 5eeuL-5ivaA:
undetectable
5eeuV-5ivaA:
undetectable		 5eeuL-5ivaA:
8.31
5eeuV-5ivaA:
8.31
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.
5EEX_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 9 ARG A  86
THR A 162
GLY A 609
THR A  58
THR A  55
 None
None
C8E  A 702 ( 4.0A)
None
None
 1.36A 5eexL-5ivaA:
undetectable
5eexV-5ivaA:
undetectable		 5eexL-5ivaA:
8.31
5eexV-5ivaA:
8.31
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.
5EEY_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 9 ARG A  86
THR A 162
GLY A 609
THR A  58
THR A  55
 None
None
C8E  A 702 ( 4.0A)
None
None
 1.36A 5eeyL-5ivaA:
undetectable
5eeyV-5ivaA:
undetectable		 5eeyL-5ivaA:
8.31
5eeyV-5ivaA:
8.31
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.
5EF0_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 5iva LPS-ASSEMBLY PROTEIN
LPTD
(Pseudomonas
aeruginosa) 		5 / 9 ARG A  86
THR A 162
GLY A 609
THR A  58
THR A  55
 None
None
C8E  A 702 ( 4.0A)
None
None
 1.37A 5ef0L-5ivaA:
undetectable
5ef0V-5ivaA:
undetectable		 5ef0L-5ivaA:
8.31
5ef0V-5ivaA:
8.31
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5dl5 MEMBRANE PROTEIN
(Acinetobacter
baumannii) 		5 / 12 GLY A  76
TYR A 291
ILE A 262
TYR A 289
PHE A 298
 C8E  A 501 (-3.4A)
None
None
None
None
 1.23A 5eslA-5dl5A:
undetectable		 5eslA-5dl5A:
21.48
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN
(Escherichia
coli) 		5 / 12 GLU A 399
ILE A 359
GLY A 119
ILE A  73
ALA A  74
 None
None
None
None
C8E  A 504 (-3.6A)
 1.31A 5j7wC-2r8aA:
undetectable		 5j7wC-2r8aA:
19.86
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.
5K50_C_ACTC1403_0
(L-THREONINE
3-DEHYDROGENASE)		 4ctd OUTER MEMBRANE
PROTEIN G
(Escherichia
coli) 		4 / 4 MET A  13
SER A  33
VAL A  34
GLY A  11
 CL  A1273 (-3.9A)
CL  A1280 ( 4.5A)
C8E  A1277 ( 4.6A)
C8E  A1277 ( 4.0A)
 1.39A 5k50C-4ctdA:
0.0		 5k50C-4ctdA:
19.89
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.
5KKL_B_SAMB8009_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN,HISTONE H3.1
PEPTIDE,ZINC FINGER
DOMAIN-CONTAINING
PROTEIN)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 12 LEU X  15
GLY X  12
TYR X  93
PHE X 212
LEU X 187
 C8E  X 623 (-4.6A)
None
None
None
None
 1.26A 5kklB-3kvnX:
undetectable		 5kklB-3kvnX:
21.64
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		4 / 8 ALA A 558
SER A 611
HIS A 373
HIS A 368
 GOL  A 718 (-3.2A)
None
C8E  A 702 ( 3.5A)
None
 1.14A 5km8A-4nreA:
undetectable
5km8B-4nreA:
undetectable		 5km8A-4nreA:
13.27
5km8B-4nreA:
13.27
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.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 1eth TRIACYLGLYCEROL
ACYL-HYDROLASE
(Sus
scrofa) 		5 / 9 ASN A 121
ALA A 118
ILE A  79
GLY A  77
ILE A  75
 None
None
C8E  A 456 ( 3.5A)
C8E  A 456 (-3.2A)
None
 1.26A 5kr2A-1ethA:
undetectable		 5kr2A-1ethA:
13.57
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.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 1eth TRIACYLGLYCEROL
ACYL-HYDROLASE
(Sus
scrofa) 		5 / 9 ASN A 121
ALA A 118
ILE A  79
GLY A  77
ILE A  75
 None
None
C8E  A 456 ( 3.5A)
C8E  A 456 (-3.2A)
None
 1.26A 5kr2C-1ethA:
undetectable		 5kr2C-1ethA:
13.57
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.
5LSU_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 12 GLY X 256
PHE X 259
HIS X 289
ASN X 285
THR X 291
 None
None
C8E  X 623 (-4.4A)
None
None
 1.38A 5lsuB-3kvnX:
undetectable		 5lsuB-3kvnX:
17.41
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.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2y0k PYROGLUTATMATE PORIN
OPDO
(Pseudomonas
aeruginosa) 		5 / 12 LEU A 298
ALA A 257
SER A 248
ARG A 225
GLY A 244
 C8E  A1390 (-3.9A)
None
None
None
None
 1.20A 5m5cB-2y0kA:
undetectable		 5m5cB-2y0kA:
21.66
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR
(Pseudomonas
aeruginosa) 		4 / 4 ASN A 189
SER A 227
ALA A 211
VAL A 210
 None
None
None
C8E  A1722 ( 4.7A)
 0.94A 5nm5A-5fokA:
undetectable		 5nm5A-5fokA:
19.92
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 4fsp PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 6 LEU A 322
SER A 321
PHE A 312
ASP A 311
 C8E  A 405 (-4.8A)
None
C8E  A 405 (-3.9A)
None
 1.19A 5om3A-4fspA:
undetectable
5om3B-4fspA:
undetectable		 5om3A-4fspA:
11.69
5om3B-4fspA:
8.62
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2x27 OUTER MEMBRANE
PROTEIN OPRG
(Pseudomonas
aeruginosa) 		3 / 3 VAL X 201
VAL X  19
GLN X  47
 None
None
C8E  X1220 (-4.7A)
 0.71A 5qhgA-2x27X:
undetectable		 5qhgA-2x27X:
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		 3brz TODX
(Pseudomonas
putida) 		4 / 7 ARG A 376
ALA A 336
ILE A 333
LEU A   6
 None
C8E  A 502 (-3.3A)
None
None
 0.97A 5te8A-3brzA:
undetectable		 5te8A-3brzA:
23.15
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.
5UC1_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		 5dl7 PORIN
(Acinetobacter
baumannii) 		3 / 3 TRP A  34
MET A  66
ASN A  64
 C8E  A 510 (-3.7A)
C8E  A 510 ( 4.3A)
None
 1.22A 5uc1B-5dl7A:
undetectable		 5uc1B-5dl7A:
12.93
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 4fso PROBABLE PORIN
(Pseudomonas
aeruginosa) 		5 / 12 PHE A 111
ARG A 154
GLY A 137
GLY A 114
MET A 104
 C8E  A 508 (-4.5A)
None
None
None
C8E  A 508 (-4.2A)
 1.18A 5ul4A-4fsoA:
undetectable		 5ul4A-4fsoA:
20.80
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2por PORIN
(Rhodobacter
capsulatus) 		3 / 3 GLY A 233
THR A 106
PRO A 103
 C8E  A 548 ( 4.4A)
None
None
 0.61A 5v5zA-2porA:
undetectable		 5v5zA-2porA:
19.89
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2y0h PROBABLE PORIN
(Pseudomonas
aeruginosa) 		3 / 3 GLY A  59
THR A 281
PRO A 127
 C8E  A1402 (-3.7A)
None
None
 0.57A 5v5zA-2y0hA:
undetectable		 5v5zA-2y0hA:
21.92
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.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		4 / 6 PHE A 367
PHE A 365
ILE A 433
THR A 431
 None
None
None
C8E  A 702 ( 4.6A)
 1.15A 5vceA-4nreA:
undetectable		 5vceA-4nreA:
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		 4rlc OUTER MEMBRANE PORIN
F
(Pseudomonas
aeruginosa) 		4 / 8 GLY A  34
GLU A   9
ILE A  74
ASP A  72
 C8E  A 207 ( 4.3A)
None
None
None
 1.05A 5vlmD-4rlcA:
undetectable		 5vlmD-4rlcA:
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR
(Pseudomonas
aeruginosa) 		3 / 3 ASP A 306
ASN A 332
ASP A 413
 C8E  A1725 (-4.4A)
None
None
 0.84A 5vopB-5fokA:
undetectable		 5vopB-5fokA:
18.70
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 2por PORIN
(Rhodobacter
capsulatus) 		3 / 3 TYR A 232
ASP A 203
ASP A 253
 C8E  A 548 (-4.8A)
None
None
 0.69A 5x6yA-2porA:
undetectable		 5x6yA-2porA:
18.42
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		3 / 3 TYR A 144
ASP A 155
ASP A 108
 C8E  A 301 (-3.6A)
None
C8E  A 301 (-4.0A)
 0.83A 5x6yA-4rl8A:
undetectable		 5x6yA-4rl8A:
14.71
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 2x27 OUTER MEMBRANE
PROTEIN OPRG
(Pseudomonas
aeruginosa) 		5 / 10 ILE X  11
ASN X 108
PHE X 155
LEU X 164
ALA X 110
 None
None
C8E  X1224 ( 4.7A)
None
None
 1.19A 5y7pG-2x27X:
undetectable		 5y7pG-2x27X:
20.94
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.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 5dl5 MEMBRANE PROTEIN
(Acinetobacter
baumannii) 		3 / 3 ARG A  26
PHE A 298
ARG A 126
 C8E  A 501 (-2.9A)
None
C8E  A 501 (-3.9A)
 1.17A 5y9yA-5dl5A:
undetectable		 5y9yA-5dl5A:
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.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 4fms PROBABLE PORIN
(Pseudomonas
aeruginosa) 		4 / 5 PHE B 324
THR B 264
GLU B 351
ASN B 365
 C8E  B 407 (-3.9A)
None
None
None
 1.38A 5ybbA-4fmsB:
undetectable		 5ybbA-4fmsB:
22.96
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_ACRA608_0
(ALPHA-AMYLASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		4 / 6 GLY X 376
THR X 362
GLN X 361
TYR X 359
 None
None
C8E  X 461 ( 4.4A)
C8E  X 456 ( 4.9A)
 1.28A 6ag0A-3dwoX:
undetectable		 6ag0A-3dwoX:
11.44
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.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)		 3dwo PROBABLE OUTER
MEMBRANE PROTEIN
(Pseudomonas
aeruginosa) 		4 / 6 GLY X 376
THR X 362
GLN X 361
TYR X 359
 None
None
C8E  X 461 ( 4.4A)
C8E  X 456 ( 4.9A)
 1.28A 6ag0C-3dwoX:
undetectable		 6ag0C-3dwoX:
11.44
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 5syt CAAX PRENYL PROTEASE
1 HOMOLOG
(Homo
sapiens) 		5 / 12 ILE A  19
LEU A  24
LEU A 372
PHE A 376
LEU A 366
 C8E  A 513 ( 3.8A)
None
C8E  A 513 ( 4.7A)
None
C8E  A 513 ( 4.7A)
 1.03A 6b54A-5sytA:
undetectable		 6b54A-5sytA:
22.41
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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		 2o4v PORIN P
(Pseudomonas
aeruginosa) 		4 / 9 ASP A 258
LEU A 185
VAL A 167
SER A 166
 None
None
C8E  A1297 (-4.5A)
None
 0.95A 6c2mD-2o4vA:
undetectable		 6c2mD-2o4vA:
11.08
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.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP
(Pseudomonas
aeruginosa) 		4 / 7 ALA A  80
GLN A  83
VAL A  82
TRP A  81
 None
C8E  A 472 ( 3.6A)
None
None
 0.94A 6cduA-3sybA:
undetectable
6cduE-3sybA:
undetectable		 6cduA-3sybA:
21.35
6cduE-3sybA:
21.35
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		5 / 12 SER X  14
ASN X 213
LEU X 186
ASP X  13
GLY X 145
 C8E  X 623 (-2.9A)
None
None
C8E  X 623 ( 4.2A)
None
 1.36A 6dwnA-3kvnX:
undetectable		 6dwnA-3kvnX:
8.60
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.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens) 		5 / 12 ILE A 435
GLY A 434
ILE A 433
THR A 431
ILE A 421
 None
None
None
C8E  A 702 ( 4.6A)
None
 0.96A 6emuC-4nreA:
undetectable		 6emuC-4nreA:
15.43
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.
6EXI_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3kvn ESTERASE ESTA
(Pseudomonas
aeruginosa) 		3 / 3 LEU X  15
ASN X 213
LEU X 167
 C8E  X 623 (-4.6A)
None
None
 0.62A 6exiD-3kvnX:
2.9		 6exiD-3kvnX:
8.55
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.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 7 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.44A 6g31A-4rl8A:
undetectable		 6g31A-4rl8A:
14.80
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.
6G31_B_ZOLB401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 6 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.40A 6g31B-4rl8A:
undetectable		 6g31B-4rl8A:
14.80
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 7 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.29A 6g31D-4rl8A:
undetectable		 6g31D-4rl8A:
14.80
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 5 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.27A 6g31F-4rl8A:
undetectable		 6g31F-4rl8A:
14.80
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 7 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.28A 6g31G-4rl8A:
undetectable		 6g31G-4rl8A:
14.80
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.
6G31_H_ZOLH401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 5 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.40A 6g31H-4rl8A:
undetectable		 6g31H-4rl8A:
14.80
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.
6G31_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN
(Pseudomonas
putida) 		4 / 6 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.43A 6g31L-4rl8A:
undetectable		 6g31L-4rl8A:
14.80
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2x56 COAGULASE/FIBRINOLYS
IN
(Yersinia
pestis) 		4 / 8 ASP A  44
HIS A 208
HIS A  28
ASP A  86
 None
C8E  A1308 ( 4.4A)
None
None
 1.20A 6mn4B-2x56A:
undetectable		 6mn4B-2x56A:
22.59