SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4d5g'

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.
1B2I_A_AMHA84_1
(PROTEIN
(PLASMINOGEN))		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 TYR A 455
GLU A 542
TRP A 505
PHE A 458
 None
 1.07A 1b2iA-4d5gA:
undetectable		 1b2iA-4d5gA:
8.42
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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 8 GLY A 261
ASN A 266
GLY A 258
VAL A 209
 FAD  A1588 (-3.8A)
None
FAD  A1588 (-3.2A)
None
 0.92A 1dbbH-4d5gA:
undetectable
1dbbL-4d5gA:
undetectable		 1dbbH-4d5gA:
17.15
1dbbL-4d5gA:
14.89
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 6 LEU A  53
ILE A 425
TRP A  57
GLU A  89
 None
TPP  A1589 ( 4.8A)
None
None
 1.16A 1ditH-4d5gA:
undetectable
1ditP-4d5gA:
undetectable		 1ditH-4d5gA:
19.28
1ditP-4d5gA:
2.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_0
(FTSJ)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		6 / 12 GLY A  61
GLY A  55
GLY A  54
TRP A  57
LEU A 438
ARG A 416
 None
 1.45A 1ej0A-4d5gA:
2.5		 1ej0A-4d5gA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLB_A_NVPA999_1
(HIV-1 RT A-CHAIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 8 LEU A 228
VAL A 234
GLY A 233
LEU A 276
 None
 0.92A 1jlbA-4d5gA:
undetectable		 1jlbA-4d5gA:
22.29
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.
1LQT_A_ACTA1871_0
(FPRA)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 PRO A 404
ALA A 380
PHE A 378
SER A 376
 None
 1.16A 1lqtA-4d5gA:
2.3		 1lqtA-4d5gA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_A_ACTA1428_0
(FPRA)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 PRO A 404
ALA A 380
PHE A 378
SER A 376
 None
 1.17A 1lquA-4d5gA:
2.4		 1lquA-4d5gA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		3 / 3 GLU A  89
ASN A  60
TRP A  57
 None
 1.23A 1r15C-4d5gA:
2.4		 1r15C-4d5gA:
18.29
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		3 / 3 GLU A  89
ASN A  60
TRP A  57
 None
 1.24A 1r15D-4d5gA:
2.4		 1r15D-4d5gA:
18.29
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		3 / 3 GLU A  89
ASN A  60
TRP A  57
 None
 1.23A 1r15E-4d5gA:
2.4		 1r15E-4d5gA:
18.29
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		3 / 3 GLU A  89
ASN A  60
TRP A  57
 None
 1.28A 1r15F-4d5gA:
2.3		 1r15F-4d5gA:
18.29
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		3 / 3 GLY A 290
ASP A 284
ASN A 562
 None
 0.66A 1vq1A-4d5gA:
2.5		 1vq1A-4d5gA:
19.83
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.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 11 ARG A 179
GLY A 180
VAL A 177
PRO A 178
ILE A 143
 None
 1.12A 2nnhA-4d5gA:
undetectable		 2nnhA-4d5gA:
20.89
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.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 9 ARG A 179
GLY A 180
VAL A 177
PRO A 178
ILE A 143
 None
 1.15A 2nnhB-4d5gA:
undetectable		 2nnhB-4d5gA:
20.89
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 ASN A  80
TRP A  75
GLY A  79
SER A  30
 None
 1.09A 2o5yH-4d5gA:
undetectable
2o5yL-4d5gA:
undetectable		 2o5yH-4d5gA:
17.52
2o5yL-4d5gA:
17.16
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.
3A35_A_RBFA191_1
(LUMAZINE PROTEIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 SER A 222
LEU A 225
ALA A 212
THR A 239
THR A 238
 None
None
None
FAD  A1588 (-2.8A)
None
 1.11A 3a35A-4d5gA:
undetectable		 3a35A-4d5gA:
16.07
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.
3A35_B_RBFB191_1
(LUMAZINE PROTEIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 SER A 222
LEU A 225
ALA A 212
THR A 239
THR A 238
 None
None
None
FAD  A1588 (-2.8A)
None
 1.07A 3a35B-4d5gA:
undetectable		 3a35B-4d5gA:
16.07
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.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 ILE A  95
ILE A 398
MET A 432
LEU A 417
 None
FAD  A1588 (-4.6A)
None
None
 0.93A 3adxA-4d5gA:
undetectable		 3adxA-4d5gA:
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 8 VAL A 133
ASP A 137
LEU A 176
GLY A 140
 None
 0.97A 3af0A-4d5gA:
undetectable		 3af0A-4d5gA:
20.60
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.
3E9X_A_NIMA1_1
(LACTOTRANSFERRIN')		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 4 GLU A  16
GLY A  18
THR A  19
GLU A  20
 PG4  A1598 ( 4.4A)
None
None
None
 1.04A 3e9xA-4d5gA:
1.9		 3e9xA-4d5gA:
20.17
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 10 ALA A 272
ASN A 266
ALA A 257
ILE A 287
LEU A 282
 None
 1.18A 3fl9F-4d5gA:
2.6		 3fl9F-4d5gA:
14.08
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.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 PHE A 476
THR A 449
ASP A 504
ILE A 508
LEU A 540
 None
 1.21A 3iv6A-4d5gA:
2.7		 3iv6A-4d5gA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 PHE A 476
THR A 449
ASP A 504
ILE A 508
LEU A 540
 None
 1.13A 3iv6B-4d5gA:
3.0		 3iv6B-4d5gA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 9 LEU A 276
VAL A 332
GLN A 328
PHE A 325
VAL A 301
 None
 1.10A 3jwqA-4d5gA:
undetectable		 3jwqA-4d5gA:
18.36
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 5 GLY A  55
GLU A  52
GLY A  54
PRO A  49
 None
 1.10A 3onnA-4d5gA:
3.0		 3onnA-4d5gA:
18.66
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 8 SER A 186
HIS A 153
ASP A 302
GLU A 327
 None
FAD  A1588 (-4.4A)
FAD  A1588 (-2.9A)
None
 1.12A 3sg9B-4d5gA:
undetectable		 3sg9B-4d5gA:
18.44
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 GLY A 242
TYR A  64
GLY A  93
THR A  92
 None
None
FAD  A1588 ( 4.7A)
None
 0.85A 3tajA-4d5gA:
undetectable		 3tajA-4d5gA:
20.17
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.
3TX2_A_BEZA251_0
(PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 LYS A   4
ARG A   5
ALA A   7
ALA A  36
 None
 1.09A 3tx2A-4d5gA:
2.8		 3tx2A-4d5gA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 GLY A  61
GLY A  55
GLY A  54
TRP A  57
VAL A 395
 None
 1.02A 4b17A-4d5gA:
2.5		 4b17A-4d5gA:
20.97
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.
4FIM_A_CELA711_1
(LACTOTRANSFERRIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 9 GLY A  73
VAL A  23
GLU A  89
GLY A  61
TYR A  62
 None
 1.44A 4fimA-4d5gA:
undetectable		 4fimA-4d5gA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 10 ALA A 453
LEU A 454
ILE A 508
ALA A 509
ALA A 464
 TPP  A1589 (-3.3A)
None
None
None
None
 1.05A 4j14A-4d5gA:
undetectable		 4j14A-4d5gA:
21.96
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 11 THR A 241
THR A 238
GLY A 215
GLY A 279
SER A 280
 FAD  A1588 (-3.0A)
None
FAD  A1588 (-3.1A)
FAD  A1588 (-3.5A)
FAD  A1588 (-2.8A)
 1.04A 4qvwK-4d5gA:
undetectable
4qvwL-4d5gA:
undetectable		 4qvwK-4d5gA:
17.90
4qvwL-4d5gA:
17.12
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.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 11 THR A 241
THR A 238
GLY A 215
GLY A 279
SER A 280
 FAD  A1588 (-3.0A)
None
FAD  A1588 (-3.1A)
FAD  A1588 (-3.5A)
FAD  A1588 (-2.8A)
 1.05A 4qvwY-4d5gA:
undetectable
4qvwZ-4d5gA:
undetectable		 4qvwY-4d5gA:
17.90
4qvwZ-4d5gA:
17.12
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 8 SER A 535
ARG A 531
ALA A 528
PHE A 500
 None
 0.97A 4rkuA-4d5gA:
undetectable
4rkuJ-4d5gA:
undetectable		 4rkuA-4d5gA:
22.31
4rkuJ-4d5gA:
7.20
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.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 LEU A 102
SER A  30
LEU A 136
GLY A   6
ALA A   7
 None
 0.79A 4rrwC-4d5gA:
undetectable		 4rrwC-4d5gA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 LEU A 102
SER A  30
LEU A 136
GLY A   6
ALA A   7
 None
 0.79A 4rrzC-4d5gA:
undetectable		 4rrzC-4d5gA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 12 GLY A 429
GLY A 450
ALA A 453
ASN A 400
SER A 376
 None
TPP  A1589 (-3.3A)
TPP  A1589 (-3.3A)
TPP  A1589 (-4.3A)
None
 1.02A 4rtmA-4d5gA:
undetectable		 4rtmA-4d5gA:
17.94
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.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 6 PRO A 296
GLU A 248
ALA A 229
LEU A 228
 None
 0.97A 5igiA-4d5gA:
undetectable		 5igiA-4d5gA:
23.43
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		5 / 10 ALA A  36
VAL A  33
ILE A 100
ILE A 143
VAL A 139
 None
 1.19A 5nukA-4d5gA:
undetectable		 5nukA-4d5gA:
8.75
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		6 / 9 ALA A  36
VAL A  33
ILE A 162
LEU A 102
ILE A 100
ILE A 143
 None
 1.07A 5nunA-4d5gA:
undetectable		 5nunA-4d5gA:
8.75
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.
5OF1_A_SALA301_1
(SPORE
COAT-ASSOCIATED
PROTEIN N)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 5 ALA A 380
VAL A 384
PHE A 476
ILE A 394
 None
 0.46A 5of1A-4d5gA:
undetectable		 5of1A-4d5gA:
7.65
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.
5OF1_B_SALB301_1
(SPORE
COAT-ASSOCIATED
PROTEIN N)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 5 ALA A 380
VAL A 384
PHE A 476
ILE A 394
 None
 0.57A 5of1B-4d5gA:
undetectable		 5of1B-4d5gA:
7.65
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 7 VAL A 506
ARG A 531
TYR A 515
GLU A 517
 None
 1.14A 5umwB-4d5gA:
undetectable
5umwE-4d5gA:
undetectable		 5umwB-4d5gA:
10.75
5umwE-4d5gA:
10.75
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 8 GLY A 408
ARG A 357
VAL A 364
ASP A 361
 None
 1.07A 5vlmA-4d5gA:
undetectable		 5vlmA-4d5gA:
16.81
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 6 GLY A  18
TYR A  17
LEU A  42
VAL A  72
 None
 0.98A 5x80A-4d5gA:
undetectable
5x80B-4d5gA:
undetectable		 5x80A-4d5gA:
15.08
5x80B-4d5gA:
15.08
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		6 / 12 GLY A 279
ASP A 302
ASP A 304
VAL A 307
ASP A 321
ALA A 322
 FAD  A1588 (-3.5A)
FAD  A1588 (-2.9A)
FAD  A1588 (-4.8A)
FAD  A1588 ( 4.6A)
FAD  A1588 (-3.9A)
FAD  A1588 (-3.7A)
 1.00A 6bq4A-4d5gA:
4.0		 6bq4A-4d5gA:
9.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		6 / 12 GLY A 279
ASP A 302
ASP A 304
VAL A 307
ASP A 321
ALA A 322
 FAD  A1588 (-3.5A)
FAD  A1588 (-2.9A)
FAD  A1588 (-4.8A)
FAD  A1588 ( 4.6A)
FAD  A1588 (-3.9A)
FAD  A1588 (-3.7A)
 0.92A 6bq4B-4d5gA:
4.3		 6bq4B-4d5gA:
9.00