SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xfu'

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)

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	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1FDS_A_ESTA350_1 (17-BETA-HYDROXYSTERO ID-DEHYDROGENASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 12	VAL A 760 LEU A 776 TYR A 777 GLY A 725 PHE A 723	None	1.47A	1fdsA-1xfuA: undetectable	1fdsA-1xfuA: 17.37
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.	1KNY_A_KANA558_1 (KANAMYCIN NUCLEOTIDYLTRANSFERA SE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 7	SER A 242 ASP A 180 GLU A 216 GLU A 133	None	0.95A	1knyA-1xfuA: 3.4 1knyB-1xfuA: undetectable	1knyA-1xfuA: 15.75 1knyB-1xfuA: 15.75
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.	1KNY_B_KANB559_1 (KANAMYCIN NUCLEOTIDYLTRANSFERA SE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	GLU A 133 SER A 242 ASP A 180 GLU A 216	None	0.90A	1knyA-1xfuA: 3.4 1knyB-1xfuA: 3.5	1knyA-1xfuA: 15.75 1knyB-1xfuA: 15.75
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.	1YAJ_B_BEZB12_0 (CES1 PROTEIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 4	GLY A 362 SER A 354 VAL A 476 LEU A 338	None	1.34A	1yajB-1xfuA: undetectable	1yajB-1xfuA: 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.	2F78_A_BEZA1001_0 (HTH-TYPE TRANSCRIPTIONAL REGULATOR BENM)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 9	LEU A 66 ILE A 89 LEU A 152 ILE A 104 TYR A 171	None	1.25A	2f78A-1xfuA: undetectable	2f78A-1xfuA: 14.32
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.	2HJH_A_NCAA900_0 (NAD-DEPENDENT HISTONE DEACETYLASE SIR2)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 5	ILE A 364 PRO A 365 PHE A 366 ILE A 398	None	1.13A	2hjhA-1xfuA: undetectable	2hjhA-1xfuA: 18.62
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.	2JN3_A_JN3A130_2 (FATTY ACID-BINDING PROTEIN, LIVER)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 7	LEU A 762 LEU A 763 ARG A 724 ARG A 755	None	1.02A	2jn3A-1xfuA: undetectable	2jn3A-1xfuA: 11.11
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.	2PIW_A_T3A932_1 (ANDROGEN RECEPTOR)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 6	LEU A 560 VAL A 564 LYS A 565 ILE A 326	None	0.85A	2piwA-1xfuA: undetectable	2piwA-1xfuA: 15.59
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.	2Q83_B_ADNB2_1 (YTAA PROTEIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 6	ILE A 534 PRO A 499 LEU A 501 ILE A 504	None	0.97A	2q83B-1xfuA: undetectable	2q83B-1xfuA: 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.	2VXA_A_RBFA200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	TYR A 632 ARG A 630 ARG A 540 GLN A 553	None	1.45A	2vxaA-1xfuA: undetectable 2vxaC-1xfuA: undetectable 2vxaE-1xfuA: undetectable	2vxaA-1xfuA: 7.40 2vxaC-1xfuA: 7.40 2vxaE-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_B_RBFB200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 630 TYR A 632 ARG A 540 GLN A 553	None	1.42A	2vxaA-1xfuA: undetectable 2vxaB-1xfuA: undetectable 2vxaK-1xfuA: undetectable	2vxaA-1xfuA: 7.40 2vxaB-1xfuA: 7.40 2vxaK-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_C_RBFC200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 630 TYR A 632 ARG A 540 GLN A 553	None	1.47A	2vxaB-1xfuA: undetectable 2vxaC-1xfuA: undetectable 2vxaG-1xfuA: undetectable	2vxaB-1xfuA: 7.40 2vxaC-1xfuA: 7.40 2vxaG-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_D_RBFD200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	TYR A 632 ARG A 630 ARG A 540 GLN A 553	None	1.44A	2vxaD-1xfuA: undetectable 2vxaF-1xfuA: undetectable 2vxaI-1xfuA: undetectable	2vxaD-1xfuA: 7.40 2vxaF-1xfuA: 7.40 2vxaI-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_E_RBFE200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 630 TYR A 632 ARG A 540 GLN A 553	None	1.44A	2vxaD-1xfuA: undetectable 2vxaE-1xfuA: undetectable 2vxaL-1xfuA: undetectable	2vxaD-1xfuA: 7.40 2vxaE-1xfuA: 7.40 2vxaL-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_H_RBFH200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 540 GLN A 553 ARG A 630 TYR A 632	None	1.44A	2vxaB-1xfuA: undetectable 2vxaG-1xfuA: undetectable 2vxaH-1xfuA: undetectable	2vxaB-1xfuA: 7.40 2vxaG-1xfuA: 7.40 2vxaH-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_I_RBFI200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 630 TYR A 632 ARG A 540 GLN A 553	None	1.43A	2vxaH-1xfuA: undetectable 2vxaI-1xfuA: undetectable 2vxaJ-1xfuA: undetectable	2vxaH-1xfuA: 7.40 2vxaI-1xfuA: 7.40 2vxaJ-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_J_RBFJ200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 540 GLN A 553 TYR A 632 ARG A 630	None	1.42A	2vxaD-1xfuA: undetectable 2vxaJ-1xfuA: undetectable 2vxaL-1xfuA: undetectable	2vxaD-1xfuA: 7.40 2vxaJ-1xfuA: 7.40 2vxaL-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_K_RBFK200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 540 GLN A 553 ARG A 630 TYR A 632	None	1.46A	2vxaH-1xfuA: undetectable 2vxaJ-1xfuA: undetectable 2vxaK-1xfuA: undetectable	2vxaH-1xfuA: 7.40 2vxaJ-1xfuA: 7.40 2vxaK-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2VXA_L_RBFL200_1 (DODECIN)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ARG A 540 GLN A 553 ARG A 630 TYR A 632	None	1.49A	2vxaA-1xfuA: undetectable 2vxaK-1xfuA: undetectable 2vxaL-1xfuA: undetectable	2vxaA-1xfuA: 7.40 2vxaK-1xfuA: 7.40 2vxaL-1xfuA: 7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2XNR_A_ACTA1001_0 (NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN 3)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	SER A 447 ARG A 445 GLN A 454	None	0.84A	2xnrA-1xfuA: undetectable	2xnrA-1xfuA: 8.59
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.	2ZW9_B_SAMB801_0 (LEUCINE CARBOXYL METHYLTRANSFERASE 2)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 12	GLY A 578 LEU A 348 LEU A 557 ASN A 561 GLU A 580	None	1.22A	2zw9B-1xfuA: undetectable	2zw9B-1xfuA: 22.88
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.	3BJW_G_SVRG506_3 (PHOSPHOLIPASE A2)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	PRO A 190 PHE A 229 LYS A 231	None	1.26A	3bjwG-1xfuA: undetectable	3bjwG-1xfuA: 10.99
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.	3IV6_C_SAMC301_0 (PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 12	GLY A 362 THR A 489 SER A 371 ILE A 418 LEU A 334	None	0.84A	3iv6C-1xfuA: undetectable	3iv6C-1xfuA: 17.65
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.	3IV6_D_SAMD301_0 (PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 12	GLY A 362 THR A 489 SER A 371 ILE A 418 LEU A 334	None	0.96A	3iv6D-1xfuA: undetectable	3iv6D-1xfuA: 17.65
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.	3K37_B_BCZB468_1 (NEURAMINIDASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	ARG A 292 GLU A 601 TYR A 325	None	0.88A	3k37B-1xfuA: undetectable	3k37B-1xfuA: 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.	3KP6_B_SALB3001_1 (TRANSCRIPTIONAL REGULATOR TCAR)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	GLU A 124 ASN A 126 ASN A 129 MET A 128	None	1.26A	3kp6A-1xfuA: undetectable 3kp6B-1xfuA: undetectable	3kp6A-1xfuA: 13.71 3kp6B-1xfuA: 13.71
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.	3KPD_C_SAMC1000_0 (UNCHARACTERIZED PROTEIN MJ0100)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	ASN A 126 ASN A 129 GLU A 133	None	0.83A	3kpdB-1xfuA: undetectable	3kpdB-1xfuA: 9.89
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.	3LSF_E_PZIE802_0 (GLUTAMATE RECEPTOR 2)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	ASP A 406 ASN A 451 SER A 341	None	0.99A	3lsfB-1xfuA: undetectable 3lsfE-1xfuA: undetectable	3lsfB-1xfuA: 15.78 3lsfE-1xfuA: 15.78
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.	3OGP_A_017A200_2 (FIV PROTEASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 10	LEU A 370 ASP A 367 VAL A 380 GLY A 466 ILE A 462	None	1.24A	3ogpB-1xfuA: undetectable	3ogpB-1xfuA: 10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4A83_A_DXCA1161_0 (MAJOR POLLEN ALLERGEN BET V 1-A)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 12	ASP A 406 TYR A 363 ASN A 450 SER A 447 LEU A 435	None	1.37A	4a83A-1xfuA: 0.0	4a83A-1xfuA: 12.77
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.	4E0F_A_RBFA301_2 (RIBOFLAVIN SYNTHASE SUBUNIT ALPHA)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	LYS A 78 THR A 82 ILE A 104	None	0.85A	4e0fB-1xfuA: undetectable	4e0fB-1xfuA: 15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4QOP_C_HQEC503_1 (CATALASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	ILE A 96 PRO A 90 PHE A 245 LEU A 179	None	0.55A	4qopC-1xfuA: undetectable	4qopC-1xfuA: 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.	4YV5_B_SVRB207_2 (BASIC PHOSPHOLIPASE A2 HOMOLOG 2)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 7	ASN A 655 TYR A 704 LEU A 752 PHE A 749	None	1.24A	4yv5B-1xfuA: undetectable	4yv5B-1xfuA: 10.04
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.	5AJQ_B_DB8B800_1 (SERINE/THREONINE-PRO TEIN KINASE 10)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 10	ILE A 596 GLY A 306 LEU A 307 ALA A 312 ASP A 313	None	1.38A	5ajqB-1xfuA: undetectable	5ajqB-1xfuA: 18.16
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.	5CSW_A_P06A801_2 (SERINE/THREONINE-PRO TEIN KINASE B-RAF)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	PHE A 614 ILE A 595 ASP A 590	None	0.74A	5cswA-1xfuA: undetectable	5cswA-1xfuA: 15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5CSW_B_P06B801_2 (SERINE/THREONINE-PRO TEIN KINASE B-RAF)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	PHE A 614 ILE A 595 ASP A 590	None	0.74A	5cswB-1xfuA: undetectable	5cswB-1xfuA: 15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5D75_A_FK5A301_1 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP3)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 11	TYR A 492 ILE A 596 ALA A 563 ILE A 318 PHE A 328	None	1.14A	5d75A-1xfuA: undetectable	5d75A-1xfuA: 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.	5EML_A_SAMA701_1 (PROTEIN ARGININE N-METHYLTRANSFERASE 5)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 6	TYR A 105 TYR A 171 GLY A 102 GLU A 103	None	1.26A	5emlA-1xfuA: undetectable	5emlA-1xfuA: 21.98
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.	5FSA_A_X2NA590_2 (CYP51 VARIANT1)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	3 / 3	PRO A 365 ILE A 462 SER A 354	None	0.76A	5fsaA-1xfuA: 1.3	5fsaA-1xfuA: 21.07
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.	5OV9_B_CVIB602_0 (ACETYLCHOLINESTERASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 8	TYR A 492 THR A 345 VAL A 564 TYR A 569	None	1.29A	5ov9B-1xfuA: undetectable	5ov9B-1xfuA: 20.31
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.	5VLM_C_CVIC301_1 (REGULATORY PROTEIN TETR)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 7	GLY A 358 ILE A 474 GLN A 368 TYR A 363	None	1.12A	5vlmC-1xfuA: undetectable	5vlmC-1xfuA: 12.96
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.	5W4Z_B_RBFB502_2 (RIBOFLAVIN LYASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 4	ASN A 384 GLN A 368 ASP A 367 THR A 457	None	1.21A	5w4zB-1xfuA: 0.0	5w4zB-1xfuA: 6.44
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.	5Z6L_A_FOLA201_0 (DIHYDROFOLATE REDUCTASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 9	ILE A 173 ALA A 244 MET A 268 LEU A 179 ILE A 89	None	1.30A	5z6lA-1xfuA: undetectable	5z6lA-1xfuA: 11.62
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.	6BXL_B_SAMB401_0 (2-(3-AMINO-3-CARBOXY PROPYL)HISTIDINE SYNTHASE)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	5 / 12	LEU A 549 GLY A 578 VAL A 564 VAL A 574 ASP A 491	None None None None MG A 900 (-2.4A)	1.30A	6bxlB-1xfuA: undetectable	6bxlB-1xfuA: 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.	6DJZ_A_GMJA301_1 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	1xfu	CALMODULIN-SENSITIVE ADENYLATE CYCLASE (Bacillus anthracis)	4 / 6	TYR A 442 GLN A 368 GLU A 467 THR A 457	None	1.47A	6djzA-1xfuA: undetectable	6djzA-1xfuA: 13.50

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1FDS_A_ESTA350_1","17-BETA-HYDROXYSTEROID-DEHYDROGENASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"VAL A 760;LEU A 776;TYR A 777;GLY A 725;PHE A 723","None","1.47A","1fdsA-1xfuA:undetectable","1fdsA-1xfuA:17.37"],["1KNY_A_KANA558_1","KANAMYCIN NUCLEOTIDYLTRANSFERASE;KANAMYCIN NUCLEOTIDYLTRANSFERASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"SER A 242;ASP A 180;GLU A 216;GLU A 133","None","0.95A","1knyA-1xfuA:3.4;1knyB-1xfuA:undetectable","1knyA-1xfuA:15.75;1knyB-1xfuA:15.75"],["1KNY_B_KANB559_1","KANAMYCIN NUCLEOTIDYLTRANSFERASE;KANAMYCIN NUCLEOTIDYLTRANSFERASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"GLU A 133;SER A 242;ASP A 180;GLU A 216","None","0.90A","1knyA-1xfuA:3.4;1knyB-1xfuA:3.5","1knyA-1xfuA:15.75;1knyB-1xfuA:15.75"],["1YAJ_B_BEZB12_0","CES1 PROTEIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"GLY A 362;SER A 354;VAL A 476;LEU A 338","None","1.34A","1yajB-1xfuA:undetectable","1yajB-1xfuA:21.36"],["2F78_A_BEZA1001_0","HTH-TYPE TRANSCRIPTIONAL REGULATOR BENM","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"LEU A  66;ILE A  89;LEU A 152;ILE A 104;TYR A 171","None","1.25A","2f78A-1xfuA:undetectable","2f78A-1xfuA:14.32"],["2HJH_A_NCAA900_0","NAD-DEPENDENT HISTONE DEACETYLASE SIR2","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ILE A 364;PRO A 365;PHE A 366;ILE A 398","None","1.13A","2hjhA-1xfuA:undetectable","2hjhA-1xfuA:18.62"],["2JN3_A_JN3A130_2","FATTY ACID-BINDING PROTEIN, LIVER","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"LEU A 762;LEU A 763;ARG A 724;ARG A 755","None","1.02A","2jn3A-1xfuA:undetectable","2jn3A-1xfuA:11.11"],["2PIW_A_T3A932_1","ANDROGEN RECEPTOR","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"LEU A 560;VAL A 564;LYS A 565;ILE A 326","None","0.85A","2piwA-1xfuA:undetectable","2piwA-1xfuA:15.59"],["2Q83_B_ADNB2_1","YTAA PROTEIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ILE A 534;PRO A 499;LEU A 501;ILE A 504","None","0.97A","2q83B-1xfuA:undetectable","2q83B-1xfuA:18.41"],["2VXA_A_RBFA200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"TYR A 632;ARG A 630;ARG A 540;GLN A 553","None","1.45A","2vxaA-1xfuA:undetectable;2vxaC-1xfuA:undetectable;2vxaE-1xfuA:undetectable","2vxaA-1xfuA:7.40;2vxaC-1xfuA:7.40;2vxaE-1xfuA:7.40"],["2VXA_B_RBFB200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 630;TYR A 632;ARG A 540;GLN A 553","None","1.42A","2vxaA-1xfuA:undetectable;2vxaB-1xfuA:undetectable;2vxaK-1xfuA:undetectable","2vxaA-1xfuA:7.40;2vxaB-1xfuA:7.40;2vxaK-1xfuA:7.40"],["2VXA_C_RBFC200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 630;TYR A 632;ARG A 540;GLN A 553","None","1.47A","2vxaB-1xfuA:undetectable;2vxaC-1xfuA:undetectable;2vxaG-1xfuA:undetectable","2vxaB-1xfuA:7.40;2vxaC-1xfuA:7.40;2vxaG-1xfuA:7.40"],["2VXA_D_RBFD200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"TYR A 632;ARG A 630;ARG A 540;GLN A 553","None","1.44A","2vxaD-1xfuA:undetectable;2vxaF-1xfuA:undetectable;2vxaI-1xfuA:undetectable","2vxaD-1xfuA:7.40;2vxaF-1xfuA:7.40;2vxaI-1xfuA:7.40"],["2VXA_E_RBFE200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 630;TYR A 632;ARG A 540;GLN A 553","None","1.44A","2vxaD-1xfuA:undetectable;2vxaE-1xfuA:undetectable;2vxaL-1xfuA:undetectable","2vxaD-1xfuA:7.40;2vxaE-1xfuA:7.40;2vxaL-1xfuA:7.40"],["2VXA_H_RBFH200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 540;GLN A 553;ARG A 630;TYR A 632","None","1.44A","2vxaB-1xfuA:undetectable;2vxaG-1xfuA:undetectable;2vxaH-1xfuA:undetectable","2vxaB-1xfuA:7.40;2vxaG-1xfuA:7.40;2vxaH-1xfuA:7.40"],["2VXA_I_RBFI200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 630;TYR A 632;ARG A 540;GLN A 553","None","1.43A","2vxaH-1xfuA:undetectable;2vxaI-1xfuA:undetectable;2vxaJ-1xfuA:undetectable","2vxaH-1xfuA:7.40;2vxaI-1xfuA:7.40;2vxaJ-1xfuA:7.40"],["2VXA_J_RBFJ200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 540;GLN A 553;TYR A 632;ARG A 630","None","1.42A","2vxaD-1xfuA:undetectable;2vxaJ-1xfuA:undetectable;2vxaL-1xfuA:undetectable","2vxaD-1xfuA:7.40;2vxaJ-1xfuA:7.40;2vxaL-1xfuA:7.40"],["2VXA_K_RBFK200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 540;GLN A 553;ARG A 630;TYR A 632","None","1.46A","2vxaH-1xfuA:undetectable;2vxaJ-1xfuA:undetectable;2vxaK-1xfuA:undetectable","2vxaH-1xfuA:7.40;2vxaJ-1xfuA:7.40;2vxaK-1xfuA:7.40"],["2VXA_L_RBFL200_1","DODECIN;DODECIN;DODECIN","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ARG A 540;GLN A 553;ARG A 630;TYR A 632","None","1.49A","2vxaA-1xfuA:undetectable;2vxaK-1xfuA:undetectable;2vxaL-1xfuA:undetectable","2vxaA-1xfuA:7.40;2vxaK-1xfuA:7.40;2vxaL-1xfuA:7.40"],["2XNR_A_ACTA1001_0","NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN 3","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"SER A 447;ARG A 445;GLN A 454","None","0.84A","2xnrA-1xfuA:undetectable","2xnrA-1xfuA:8.59"],["2ZW9_B_SAMB801_0","LEUCINE CARBOXYL METHYLTRANSFERASE 2","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"GLY A 578;LEU A 348;LEU A 557;ASN A 561;GLU A 580","None","1.22A","2zw9B-1xfuA:undetectable","2zw9B-1xfuA:22.88"],["3BJW_G_SVRG506_3","PHOSPHOLIPASE A2","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"PRO A 190;PHE A 229;LYS A 231","None","1.26A","3bjwG-1xfuA:undetectable","3bjwG-1xfuA:10.99"],["3IV6_C_SAMC301_0","PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"GLY A 362;THR A 489;SER A 371;ILE A 418;LEU A 334","None","0.84A","3iv6C-1xfuA:undetectable","3iv6C-1xfuA:17.65"],["3IV6_D_SAMD301_0","PUTATIVE ZN-DEPENDENT ALCOHOL DEHYDROGENASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"GLY A 362;THR A 489;SER A 371;ILE A 418;LEU A 334","None","0.96A","3iv6D-1xfuA:undetectable","3iv6D-1xfuA:17.65"],["3K37_B_BCZB468_1","NEURAMINIDASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"ARG A 292;GLU A 601;TYR A 325","None","0.88A","3k37B-1xfuA:undetectable","3k37B-1xfuA:18.32"],["3KP6_B_SALB3001_1","TRANSCRIPTIONAL REGULATOR TCAR;TRANSCRIPTIONAL REGULATOR TCAR","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"GLU A 124;ASN A 126;ASN A 129;MET A 128","None","1.26A","3kp6A-1xfuA:undetectable;3kp6B-1xfuA:undetectable","3kp6A-1xfuA:13.71;3kp6B-1xfuA:13.71"],["3KPD_C_SAMC1000_0","UNCHARACTERIZED PROTEIN MJ0100","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"ASN A 126;ASN A 129;GLU A 133","None","0.83A","3kpdB-1xfuA:undetectable","3kpdB-1xfuA:9.89"],["3LSF_E_PZIE802_0","GLUTAMATE RECEPTOR 2","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"ASP A 406;ASN A 451;SER A 341","None","0.99A","3lsfB-1xfuA:undetectable;3lsfE-1xfuA:undetectable","3lsfB-1xfuA:15.78;3lsfE-1xfuA:15.78"],["3OGP_A_017A200_2","FIV PROTEASE;FIV PROTEASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"LEU A 370;ASP A 367;VAL A 380;GLY A 466;ILE A 462","None","1.24A","3ogpB-1xfuA:undetectable","3ogpB-1xfuA:10.51"],["4A83_A_DXCA1161_0","MAJOR POLLEN ALLERGEN BET V 1-A","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"ASP A 406;TYR A 363;ASN A 450;SER A 447;LEU A 435","None","1.37A","4a83A-1xfuA:0.0","4a83A-1xfuA:12.77"],["4E0F_A_RBFA301_2","RIBOFLAVIN SYNTHASE SUBUNIT ALPHA;RIBOFLAVIN SYNTHASE SUBUNIT ALPHA","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"LYS A  78;THR A  82;ILE A 104","None","0.85A","4e0fB-1xfuA:undetectable","4e0fB-1xfuA:15.21"],["4QOP_C_HQEC503_1","CATALASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ILE A  96;PRO A  90;PHE A 245;LEU A 179","None","0.55A","4qopC-1xfuA:undetectable","4qopC-1xfuA:21.53"],["4YV5_B_SVRB207_2","BASIC PHOSPHOLIPASE A2 HOMOLOG 2","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ASN A 655;TYR A 704;LEU A 752;PHE A 749","None","1.24A","4yv5B-1xfuA:undetectable","4yv5B-1xfuA:10.04"],["5AJQ_B_DB8B800_1","SERINE\/THREONINE-PROTEIN KINASE 10","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"ILE A 596;GLY A 306;LEU A 307;ALA A 312;ASP A 313","None","1.38A","5ajqB-1xfuA:undetectable","5ajqB-1xfuA:18.16"],["5CSW_A_P06A801_2","SERINE\/THREONINE-PROTEIN KINASE B-RAF","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"PHE A 614;ILE A 595;ASP A 590","None","0.74A","5cswA-1xfuA:undetectable","5cswA-1xfuA:15.13"],["5CSW_B_P06B801_2","SERINE\/THREONINE-PROTEIN KINASE B-RAF","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"PHE A 614;ILE A 595;ASP A 590","None","0.74A","5cswB-1xfuA:undetectable","5cswB-1xfuA:15.13"],["5D75_A_FK5A301_1","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP3","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"TYR A 492;ILE A 596;ALA A 563;ILE A 318;PHE A 328","None","1.14A","5d75A-1xfuA:undetectable","5d75A-1xfuA:9.76"],["5EML_A_SAMA701_1","PROTEIN ARGININE N-METHYLTRANSFERASE 5","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"TYR A 105;TYR A 171;GLY A 102;GLU A 103","None","1.26A","5emlA-1xfuA:undetectable","5emlA-1xfuA:21.98"],["5FSA_A_X2NA590_2","CYP51 VARIANT1","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",3,"PRO A 365;ILE A 462;SER A 354","None","0.76A","5fsaA-1xfuA:1.3","5fsaA-1xfuA:21.07"],["5OV9_B_CVIB602_0","ACETYLCHOLINESTERASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"TYR A 492;THR A 345;VAL A 564;TYR A 569","None","1.29A","5ov9B-1xfuA:undetectable","5ov9B-1xfuA:20.31"],["5VLM_C_CVIC301_1","REGULATORY PROTEIN TETR","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"GLY A 358;ILE A 474;GLN A 368;TYR A 363","None","1.12A","5vlmC-1xfuA:undetectable","5vlmC-1xfuA:12.96"],["5W4Z_B_RBFB502_2","RIBOFLAVIN LYASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"ASN A 384;GLN A 368;ASP A 367;THR A 457","None","1.21A","5w4zB-1xfuA:0.0","5w4zB-1xfuA:6.44"],["5Z6L_A_FOLA201_0","DIHYDROFOLATE REDUCTASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"ILE A 173;ALA A 244;MET A 268;LEU A 179;ILE A  89","None","1.30A","5z6lA-1xfuA:undetectable","5z6lA-1xfuA:11.62"],["6BXL_B_SAMB401_0","2-(3-AMINO-3-CARBOXYPROPYL)HISTIDINE SYNTHASE","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",5,"LEU A 549;GLY A 578;VAL A 564;VAL A 574;ASP A 491","None;None;None;None; MG A 900 (-2.4A)","1.30A","6bxlB-1xfuA:undetectable","6bxlB-1xfuA:20.05"],["6DJZ_A_GMJA301_1","SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1","1xfu","CALMODULIN-SENSITIVE ADENYLATE CYCLASE","Bacillus anthracis",4,"TYR A 442;GLN A 368;GLU A 467;THR A 457","None","1.47A","6djzA-1xfuA:undetectable","6djzA-1xfuA:13.50"]]