SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3hpf'

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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 7 PHE A 119
PHE A  70
ALA A 109
ILE A 114
 None
 1.02A 1fxhA-3hpfA:
undetectable
1fxhB-3hpfA:
undetectable		 1fxhA-3hpfA:
19.34
1fxhB-3hpfA:
23.31
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.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		6 / 12 VAL A  11
TRP A 374
SER A  44
HIS A  45
LEU A  46
TYR A 329
 None
None
None
MG  A 402 ( 3.4A)
None
None
 1.41A 1kiaD-3hpfA:
undetectable		 1kiaD-3hpfA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 VAL A  11
TRP A 374
SER A  44
HIS A  45
TYR A 329
 None
None
None
MG  A 402 ( 3.4A)
None
 1.26A 1nbhA-3hpfA:
undetectable		 1nbhA-3hpfA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 VAL A  11
TRP A 374
SER A  44
HIS A  45
TYR A 329
 None
None
None
MG  A 402 ( 3.4A)
None
 1.26A 1nbhC-3hpfA:
undetectable		 1nbhC-3hpfA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 VAL A  11
TRP A 374
SER A  44
HIS A  45
TYR A 329
 None
None
None
MG  A 402 ( 3.4A)
None
 1.27A 1nbhD-3hpfA:
undetectable		 1nbhD-3hpfA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 8 PHE A 119
PHE A  70
ALA A 109
ILE A 114
 None
 0.91A 1pnlA-3hpfA:
undetectable
1pnlB-3hpfA:
undetectable		 1pnlA-3hpfA:
19.34
1pnlB-3hpfA:
23.31
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.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 ASN A 336
ILE A  37
ASP A 106
GLY A 356
ILE A 357
 None
 1.42A 1q8jA-3hpfA:
7.8		 1q8jA-3hpfA:
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 ASP A 172
LEU A 169
HIS A 196
 None
 0.67A 1qknA-3hpfA:
undetectable		 1qknA-3hpfA:
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.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 8 LEU A  56
PHE A  83
GLU A  91
ILE A 100
 None
 0.92A 2azxA-3hpfA:
undetectable		 2azxA-3hpfA:
21.53
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 8 GLY A  38
GLY A 303
THR A 304
ALA A 305
ALA A 306
 None
 1.06A 2ej3A-3hpfA:
undetectable		 2ej3A-3hpfA:
21.56
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 10 GLY A  38
GLY A 303
THR A 304
ALA A 305
ALA A 306
 None
 1.09A 2ej3B-3hpfA:
undetectable		 2ej3B-3hpfA:
21.56
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 ALA A 278
ILE A 272
ILE A 257
GLN A 253
PHE A 250
 None
 1.15A 2h42B-3hpfA:
undetectable		 2h42B-3hpfA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTH_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 ASP A 240
TYR A 241
LYS A 212
 None
 1.22A 2othA-3hpfA:
undetectable		 2othA-3hpfA:
14.07
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 ILE A  96
LEU A  60
VAL A  26
GLU A   7
ILE A   3
 None
 1.18A 2vn0A-3hpfA:
undetectable		 2vn0A-3hpfA:
24.41
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 GLY A  36
GLY A  99
GLY A  38
LEU A 104
LEU A  56
 None
 0.95A 2zbpA-3hpfA:
undetectable		 2zbpA-3hpfA:
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.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 7 ASN A 266
ALA A 282
ALA A 281
ALA A 285
 None
 0.78A 3a2qA-3hpfA:
undetectable		 3a2qA-3hpfA:
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 ALA A 278
ILE A 272
ILE A 257
GLN A 253
PHE A 250
 None
 1.04A 3b2rA-3hpfA:
undetectable		 3b2rA-3hpfA:
22.12
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 11 ALA A 278
ILE A 272
ILE A 257
GLN A 253
PHE A 250
 None
 1.07A 3b2rB-3hpfA:
undetectable		 3b2rB-3hpfA:
22.12
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 GLY A  99
PRO A 269
LEU A 275
 None
 0.61A 3hcpB-3hpfA:
3.1		 3hcpB-3hpfA:
22.20
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 ARG A  15
VAL A 338
THR A 304
 GAE  A 411 (-3.0A)
None
None
 0.83A 3k4vA-3hpfA:
undetectable		 3k4vA-3hpfA:
12.79
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.
3NDT_A_ROCA101_2
(PROTEASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 ARG A  15
VAL A 338
THR A 304
 GAE  A 411 (-3.0A)
None
None
 0.71A 3ndtA-3hpfA:
undetectable		 3ndtA-3hpfA:
12.79
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.
3TL9_A_ROCA401_2
(PROTEASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 ARG A  15
VAL A 338
THR A 304
 GAE  A 411 (-3.0A)
None
None
 0.87A 3tl9A-3hpfA:
undetectable		 3tl9A-3hpfA:
13.04
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.
3VXI_A_ASCA502_0
(DYP)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 5 ASN A  21
ARG A  15
PRO A 326
HIS A  23
 None
GAE  A 411 (-3.0A)
None
None
 1.33A 3vxiA-3hpfA:
0.0		 3vxiA-3hpfA:
23.28
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.
3W67_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 ILE A   3
LEU A 359
ILE A 100
VAL A 302
LEU A 355
 None
 1.10A 3w67B-3hpfA:
undetectable		 3w67B-3hpfA:
22.64
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 HIS A 246
GLU A 218
ASP A 159
ASP A 322
 MG  A 401 ( 3.3A)
None
None
None
 1.32A 4blvA-3hpfA:
undetectable		 4blvA-3hpfA:
21.63
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 ARG A 136
HIS A 137
GLU A 142
ASP A 384
 None
 1.44A 4cevA-3hpfA:
undetectable
4cevB-3hpfA:
undetectable		 4cevA-3hpfA:
20.65
4cevB-3hpfA:
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.
4CEV_B_GAIB408_0
(PROTEIN (ARGINASE))		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 5 ARG A 136
HIS A 137
GLU A 142
ASP A 384
 None
 1.46A 4cevB-3hpfA:
0.3
4cevC-3hpfA:
0.5		 4cevB-3hpfA:
20.65
4cevC-3hpfA:
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.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 ASP A 384
ARG A 136
HIS A 137
GLU A 142
 None
 1.45A 4cevA-3hpfA:
undetectable
4cevC-3hpfA:
undetectable		 4cevA-3hpfA:
20.65
4cevC-3hpfA:
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.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 ARG A 136
HIS A 137
GLU A 142
ASP A 384
 None
 1.48A 4cevD-3hpfA:
2.1
4cevE-3hpfA:
undetectable		 4cevD-3hpfA:
20.65
4cevE-3hpfA:
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.
4CEV_F_GAIF412_0
(PROTEIN (ARGINASE))		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 5 ASP A 384
ARG A 136
HIS A 137
GLU A 142
 None
 1.44A 4cevD-3hpfA:
0.2
4cevF-3hpfA:
0.1		 4cevD-3hpfA:
20.65
4cevF-3hpfA:
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.
4DTA_A_ADNA401_1
(APH(2'')-ID)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 10 ALA A 305
ILE A  25
LEU A 359
ILE A  37
ASP A 106
 None
 1.30A 4dtaA-3hpfA:
undetectable		 4dtaA-3hpfA:
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.
4E47_B_SAMB800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 11 ILE A  28
ALA A 103
GLY A  38
GLU A  39
GLY A 273
 None
 1.29A 4e47B-3hpfA:
undetectable		 4e47B-3hpfA:
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 5 PRO A 323
ASP A 322
ILE A 128
VAL A 292
 None
 1.05A 4hytA-3hpfA:
undetectable		 4hytA-3hpfA:
16.60
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 ARG A 236
ASP A 240
ASP A 214
 None
 0.88A 4kicB-3hpfA:
undetectable		 4kicB-3hpfA:
22.12
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.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 ASN A 336
ASP A 360
GLY A 331
THR A 339
 None
 1.07A 4l1aB-3hpfA:
undetectable		 4l1aB-3hpfA:
15.77
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.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 SER A 268
ASP A 384
ASP A 322
 None
 0.82A 4uckA-3hpfA:
undetectable		 4uckA-3hpfA:
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 TYR A 329
HIS A  23
GLY A  12
ASN A  21
 None
 1.38A 4zbqA-3hpfA:
undetectable		 4zbqA-3hpfA:
20.85
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.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 7 ARG A 162
PHE A  19
ASP A  42
TYR A 164
 GAE  A 411 (-3.0A)
None
MG  A 402 ( 3.1A)
None
 1.48A 5a06C-3hpfA:
undetectable		 5a06C-3hpfA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DBY_A_ACTA617_0
(SERUM ALBUMIN)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		3 / 3 TRP A 248
ARG A 226
LEU A 232
 None
 0.64A 5dbyA-3hpfA:
undetectable		 5dbyA-3hpfA:
20.85
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.
5HRQ_I_IPHI101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 VAL A 116
LEU A 120
CYH A 108
LEU A  72
 None
 1.25A 5hrqB-3hpfA:
undetectable
5hrqI-3hpfA:
undetectable
5hrqJ-3hpfA:
undetectable		 5hrqB-3hpfA:
6.43
5hrqI-3hpfA:
4.98
5hrqJ-3hpfA:
6.43
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.
5HRQ_I_IPHI101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 VAL A 116
LEU A 120
CYH A 108
LEU A  72
 None
 1.25A 5hrqB-3hpfA:
undetectable
5hrqI-3hpfA:
undetectable
5hrqJ-3hpfA:
undetectable		 5hrqB-3hpfA:
6.43
5hrqI-3hpfA:
4.98
5hrqJ-3hpfA:
6.43
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 12 ILE A   3
GLY A  99
HIS A 105
ALA A 103
ILE A  28
 None
 0.86A 5kb6A-3hpfA:
undetectable		 5kb6A-3hpfA:
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.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 7 PHE A 183
GLU A 181
SER A 177
ARG A 151
 None
 1.35A 5vvnA-3hpfA:
undetectable
5vvnB-3hpfA:
undetectable		 5vvnA-3hpfA:
20.33
5vvnB-3hpfA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XPR_A_K86A1201_2
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 4 ASP A 228
PRO A 223
GLU A 221
TYR A  89
 None
None
MG  A 401 ( 3.1A)
GAE  A 411 (-4.8A)
 1.41A 5xprA-3hpfA:
0.0		 5xprA-3hpfA:
21.75
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.
6D9H_R_ADNR400_1
(CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 10 THR A 211
PHE A 194
LEU A 235
ILE A 243
THR A 239
 None
 1.24A 6d9hR-3hpfA:
undetectable		 6d9hR-3hpfA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 5 PHE A 271
VAL A 292
PRO A 323
VAL A 270
 GAE  A 411 (-4.8A)
None
None
None
 1.38A 6ekzA-3hpfA:
undetectable		 6ekzA-3hpfA:
10.39
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		5 / 11 ILE A  25
LEU A 300
THR A 297
ASN A 102
LEU A 355
 None
None
MG  A 402 ( 2.9A)
None
None
 1.28A 6hupA-3hpfA:
undetectable
6hupB-3hpfA:
undetectable		 6hupA-3hpfA:
12.02
6hupB-3hpfA:
11.94
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 5 GLY A 295
THR A 296
HIS A 246
SER A 195
 None
GAE  A 411 (-4.6A)
MG  A 401 ( 3.3A)
GAE  A 411 ( 4.8A)
 1.01A 6jmjA-3hpfA:
undetectable		 6jmjA-3hpfA:
18.39
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.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3hpf MUCONATE
CYCLOISOMERASE
(Oceanobacillus
iheyensis) 		4 / 6 GLY A 295
THR A 296
HIS A 246
SER A 195
 None
GAE  A 411 (-4.6A)
MG  A 401 ( 3.3A)
GAE  A 411 ( 4.8A)
 1.00A 6jogA-3hpfA:
undetectable		 6jogA-3hpfA:
18.39