SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3k30'

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.
1FBM_B_RTLB951_3
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 5 LEU A 536
VAL A 539
LEU A 543
GLN A 546
 None
 0.88A 1fbmE-3k30A:
undetectable		 1fbmE-3k30A:
5.95
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.
1GYX_A_BEZA1077_0
(HYPOTHETICAL PROTEIN
YDCE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 PHE A 568
ARG A 572
TYR A 181
SER A 266
 None
 1.36A 1gyxA-3k30A:
undetectable
1gyxB-3k30A:
undetectable		 1gyxA-3k30A:
7.29
1gyxB-3k30A:
7.29
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.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 469
GLU A 640
VAL A 473
GLU A 474
ASP A 631
 None
 0.83A 1jdvE-3k30A:
undetectable
1jdvF-3k30A:
undetectable		 1jdvE-3k30A:
16.52
1jdvF-3k30A:
16.52
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.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 373
GLU A 375
HIS A  34
ILE A 328
ILE A  52
 None
None
None
SF4  A 801 ( 3.6A)
None
 0.97A 1kyvA-3k30A:
3.9
1kyvE-3k30A:
7.6		 1kyvA-3k30A:
13.48
1kyvE-3k30A:
13.48
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.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.98A 1kyvB-3k30A:
3.9
1kyvC-3k30A:
undetectable		 1kyvB-3k30A:
13.48
1kyvC-3k30A:
13.48
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.
1KYV_D_RBFD504_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.97A 1kyvC-3k30A:
undetectable
1kyvD-3k30A:
5.6		 1kyvC-3k30A:
13.48
1kyvD-3k30A:
13.48
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.
1KYV_E_RBFE505_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.97A 1kyvD-3k30A:
5.6
1kyvE-3k30A:
7.6		 1kyvD-3k30A:
13.48
1kyvE-3k30A:
13.48
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 413
ARG A 645
ARG A 386
 None
 0.84A 1l7fA-3k30A:
undetectable		 1l7fA-3k30A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ARG A 365
ARG A 622
 None
 0.97A 1l7fA-3k30A:
undetectable		 1l7fA-3k30A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 413
ARG A 645
ARG A 386
 None
 0.86A 1l7hA-3k30A:
undetectable		 1l7hA-3k30A:
17.97
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ARG A 365
ARG A 622
 None
 0.97A 1l7hA-3k30A:
undetectable		 1l7hA-3k30A:
17.97
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.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.19A 1qomA-3k30A:
undetectable		 1qomA-3k30A:
21.27
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.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 LEU A 333
GLU A 347
ALA A 329
ALA A 323
 None
None
SF4  A 801 ( 4.2A)
FMN  A 802 (-3.8A)
 0.84A 1sn0B-3k30A:
undetectable
1sn0D-3k30A:
undetectable		 1sn0B-3k30A:
10.83
1sn0D-3k30A:
10.83
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 10 LEU A 543
VAL A 526
VAL A 582
TYR A 549
LEU A 520
 None
 1.36A 1sv5A-3k30A:
undetectable		 1sv5A-3k30A:
23.67
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.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 THR A 242
GLY A 240
GLY A 239
SER A 189
HIS A 185
 None
 1.17A 1wg8B-3k30A:
4.1		 1wg8B-3k30A:
20.70
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.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 6 ALA A  75
TYR A  40
ILE A  74
ILE A  78
 None
 1.15A 2dcfA-3k30A:
undetectable		 2dcfA-3k30A:
20.53
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 9 ILE A  98
ILE A  52
GLY A 101
GLU A  55
ALA A  54
 None
 1.39A 2dtjA-3k30A:
undetectable
2dtjB-3k30A:
undetectable		 2dtjA-3k30A:
14.35
2dtjB-3k30A:
14.35
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.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 403
GLY A 663
GLY A 427
ILE A 481
ALA A 483
 None
 0.93A 2fk8A-3k30A:
undetectable		 2fk8A-3k30A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 LEU A 213
VAL A 173
ALA A 222
CYH A 221
VAL A 162
 None
 1.34A 2g70A-3k30A:
undetectable		 2g70A-3k30A:
19.62
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.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 LEU A 213
VAL A 173
ALA A 222
CYH A 221
VAL A 162
 None
 1.33A 2g70B-3k30A:
undetectable		 2g70B-3k30A:
19.62
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 LEU A 213
VAL A 173
ALA A 222
CYH A 221
VAL A 162
 None
 1.36A 2g72A-3k30A:
undetectable		 2g72A-3k30A:
19.62
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.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A 166
ALA A 225
ALA A 228
ARG A 230
GLU A 108
 None
None
None
FMN  A 802 (-2.9A)
FMN  A 802 (-2.8A)
 1.19A 2j0dA-3k30A:
undetectable		 2j0dA-3k30A:
20.28
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 663
LEU A 395
GLY A 403
LEU A 410
LEU A 632
 None
 0.80A 2nxeA-3k30A:
5.6		 2nxeA-3k30A:
18.33
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.
2OTH_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ASP A 171
TYR A 170
LYS A  92
 None
 0.77A 2othA-3k30A:
undetectable		 2othA-3k30A:
9.79
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.
2XRZ_A_ACTA1470_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 5 ARG A 386
ALA A 672
ASP A 671
GLU A 389
 None
 1.45A 2xrzA-3k30A:
undetectable		 2xrzA-3k30A:
21.19
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 663
LEU A 395
GLY A 403
LEU A 410
LEU A 632
 None
 0.83A 2zbpA-3k30A:
5.3		 2zbpA-3k30A:
18.33
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.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 ALA A  75
TYR A  40
ILE A  74
ILE A  78
 None
 1.16A 2zm7A-3k30A:
undetectable		 2zm7A-3k30A:
20.53
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.
3BXO_A_SAMA238_0
(N,N-DIMETHYLTRANSFER
ASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 265
LEU A 188
SER A 189
PHE A 285
LEU A 250
 None
 1.24A 3bxoA-3k30A:
undetectable		 3bxoA-3k30A:
18.41
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.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.14A 3e7iB-3k30A:
undetectable		 3e7iB-3k30A:
21.27
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.
3HUO_A_PNNA303_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 GLN A 574
GLN A 559
GLY A 557
HIS A 533
 None
 1.44A 3huoA-3k30A:
undetectable		 3huoA-3k30A:
16.47
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 398
GLY A 403
ASP A 471
ILE A 472
LEU A 628
 ADP  A 803 (-3.0A)
None
None
None
ADP  A 803 ( 4.7A)
 0.94A 3ihtA-3k30A:
undetectable		 3ihtA-3k30A:
14.45
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 GLU A 215
LEU A 218
ASP A 219
 None
 0.32A 3ko0A-3k30A:
undetectable		 3ko0A-3k30A:
8.18
Potential target for repurposing, i.e. matched protein structure has less than 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_S_TFPS202_2
(PROTEIN S100-A4)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 GLU A 215
LEU A 218
ASP A 219
 None
 0.24A 3ko0T-3k30A:
undetectable		 3ko0T-3k30A:
8.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 TYR A 535
VAL A 526
VAL A 619
ILE A 553
 None
 1.04A 3mssB-3k30A:
undetectable		 3mssB-3k30A:
19.29
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.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.03A 3nw2A-3k30A:
undetectable		 3nw2A-3k30A:
21.11
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.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.12A 3nw2B-3k30A:
undetectable		 3nw2B-3k30A:
21.11
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.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 11 ASP A 416
VAL A 418
GLY A 476
VAL A 473
VAL A 397
 None
None
None
None
ADP  A 803 (-4.6A)
 1.04A 3oxvD-3k30A:
undetectable		 3oxvD-3k30A:
9.76
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.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A 246
GLY A 254
CYH A 229
ILE A 231
ARG A 251
 None
 1.36A 3uj7A-3k30A:
undetectable		 3uj7A-3k30A:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 PHE A  29
GLY A  57
THR A  25
PHE A  15
 None
 1.03A 3vnsA-3k30A:
3.5		 3vnsA-3k30A:
24.59
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 LEU A 439
ILE A 573
GLY A 438
PHE A 276
 None
 1.12A 4dc3A-3k30A:
2.3		 4dc3A-3k30A:
19.97
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 GLY A 357
SER A 356
TRP A 563
 None
 0.70A 4e7cD-3k30A:
1.3		 4e7cD-3k30A:
23.79
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.
4E7G_A_ACTA514_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 ALA A 500
VAL A 493
ASP A 491
LEU A 623
 None
 1.31A 4e7gA-3k30A:
undetectable		 4e7gA-3k30A:
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.
4EJ1_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 GLU A 474
ASP A 471
ARG A 393
THR A 468
 None
 1.50A 4ej1A-3k30A:
0.0		 4ej1A-3k30A:
12.87
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 400
GLY A 427
ARG A 449
ALA A 483
ASP A 649
 ADP  A 803 (-3.2A)
None
None
None
ADP  A 803 (-3.2A)
 1.13A 4kicA-3k30A:
3.5		 4kicA-3k30A:
20.03
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.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 9 GLY A 265
SER A 266
TYR A 192
ASP A 136
GLY A 180
 None
 1.21A 4lb0A-3k30A:
undetectable		 4lb0A-3k30A:
19.97
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 622
ASP A 532
ARG A 429
 None
 0.74A 4mx0A-3k30A:
undetectable		 4mx0A-3k30A:
18.27
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.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 5 GLY A 340
ASP A 339
GLU A 455
VAL A 412
 None
 1.02A 4nkvD-3k30A:
undetectable		 4nkvD-3k30A:
20.83
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 ASP A 530
THR A 555
SER A 562
HIS A 533
 None
 1.34A 4o4dA-3k30A:
undetectable		 4o4dA-3k30A:
15.37
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.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 495
THR A 564
TRP A 563
 None
 1.21A 4ug5A-3k30A:
0.5		 4ug5A-3k30A:
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.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 495
THR A 564
TRP A 563
 None
 1.13A 4uglA-3k30A:
undetectable		 4uglA-3k30A:
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 VAL A 298
ILE A 313
ASN A  27
VAL A  18
 None
 1.35A 5ajqA-3k30A:
undetectable		 5ajqA-3k30A:
18.68
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.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 6 TYR A 535
GLY A 443
SER A 434
LEU A 439
 None
 1.17A 5bphA-3k30A:
7.8		 5bphA-3k30A:
18.85
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.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 TYR A 535
GLY A 443
SER A 434
LEU A 439
 None
 1.12A 5bphC-3k30A:
7.8		 5bphC-3k30A:
18.85
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.
5BPH_D_ACTD403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 6 TYR A 535
GLY A 443
SER A 434
LEU A 439
 None
 1.07A 5bphD-3k30A:
7.9		 5bphD-3k30A:
18.85
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 ARG A 625
ASP A 649
ARG A 429
GLY A 428
 ADP  A 803 (-3.8A)
ADP  A 803 (-3.2A)
None
ADP  A 803 (-3.4A)
 1.11A 5btfA-3k30A:
undetectable
5btfC-3k30A:
undetectable
5btfD-3k30A:
undetectable		 5btfA-3k30A:
23.31
5btfC-3k30A:
23.31
5btfD-3k30A:
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 6 THR A 484
ALA A 483
THR A 482
VAL A 396
 ADP  A 803 (-4.2A)
None
None
None
 0.89A 5ecoA-3k30A:
1.5		 5ecoA-3k30A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 495
THR A 564
TRP A 563
 None
 1.17A 5g6cA-3k30A:
undetectable		 5g6cA-3k30A:
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 8 THR A 232
GLY A 265
ALA A 263
GLY A 180
SER A 182
 None
None
FMN  A 802 ( 4.9A)
None
None
 1.45A 5vw9A-3k30A:
undetectable		 5vw9A-3k30A:
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.
6FGC_A_D95A816_0
(GEPHYRIN)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 11 ASP A 258
PHE A  23
ILE A  20
LEU A 104
ILE A 166
 None
 1.22A 6fgcA-3k30A:
undetectable		 6fgcA-3k30A:
7.33
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.
6FGD_A_ACTA806_0
(GEPHYRIN)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 4 MET A 114
GLY A 113
HIS A 111
GLY A 127
 None
 1.48A 6fgdA-3k30A:
4.7		 6fgdA-3k30A:
21.66