SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ICS'

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 (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ITU_A_CILA451_1 (RENAL DIPEPTIDASE)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 12	HIS A 362 HIS A 451 ARG A 359 TYR A 229 ASP A 228	None None ICS A1496 (-3.9A) ICS A1496 (-4.1A) None	1.36A	1ituA-4wzbA: undetectable	1ituA-4wzbA: 22.56
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.	1KIF_A_BEZA349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifA-5kojA: 2.8	1kifA-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_A_BEZA349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.30A	1kifA-5kojA: 2.8	1kifA-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_B_BEZB349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifB-5kojA: 2.8	1kifB-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_B_BEZB349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.30A	1kifB-5kojA: 2.8	1kifB-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_C_BEZC349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifC-5kojA: undetectable	1kifC-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_C_BEZC349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.30A	1kifC-5kojA: undetectable	1kifC-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_D_BEZD349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifD-5kojA: undetectable	1kifD-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_D_BEZD349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.29A	1kifD-5kojA: undetectable	1kifD-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_E_BEZE349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifE-5kojA: undetectable	1kifE-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_E_BEZE349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.30A	1kifE-5kojA: undetectable	1kifE-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_F_BEZF349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifF-5kojA: 2.8	1kifF-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_F_BEZF349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.30A	1kifF-5kojA: 2.8	1kifF-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_G_BEZG349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifG-5kojA: undetectable	1kifG-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_G_BEZG349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.29A	1kifG-5kojA: undetectable	1kifG-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_H_BEZH349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1kifH-5kojA: undetectable	1kifH-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1KIF_H_BEZH349_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.29A	1kifH-5kojA: undetectable	1kifH-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1VE9_A_BEZA352_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.15A	1ve9A-5kojA: 2.8	1ve9A-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1VE9_A_BEZA352_0 (D-AMINO ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.35A	1ve9A-5kojA: 2.8	1ve9A-5kojA: 21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2DU8_G_BEZG2352_0 (D-AMINO-ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.18A	2du8G-5kojA: 2.8	2du8G-5kojA: 21.59
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.	2DU8_G_BEZG2352_0 (D-AMINO-ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.32A	2du8G-5kojA: 2.8	2du8G-5kojA: 21.59
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.	2DU8_J_BEZJ3352_0 (D-AMINO-ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 370 TYR A 417 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.21A	2du8J-5kojA: 2.8	2du8J-5kojA: 21.59
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.	2DU8_J_BEZJ3352_0 (D-AMINO-ACID OXIDASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 5	TYR A 395 TYR A 403 ILE A 416 GLY A 372	None None None ICS A 502 (-3.5A)	1.28A	2du8J-5kojA: 2.8	2du8J-5kojA: 21.59
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.	3CCF_A_BEZA261_0 (CYCLOPROPANE-FATTY-A CYL-PHOSPHOLIPID SYNTHASE)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	4 / 8	GLY A 85 TRP A 88 TYR A 245 ARG A 112	None None ICS A 502 (-4.1A) ICS A 502 (-4.1A)	1.40A	3ccfA-5kojA: undetectable	3ccfA-5kojA: 18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4A99_C_MIYC392_1 (TETX2 PROTEIN)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 12	PHE A 431 VAL A 404 ILE A 59 ILE A 355 TYR A 354	None None None ICS A1496 (-4.1A) None	1.13A	4a99A-4wzbA: undetectable 4a99C-4wzbA: undetectable	4a99A-4wzbA: 20.32 4a99C-4wzbA: 20.32
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.	4XNX_A_41XA707_1 (TRANSPORTER)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	5 / 11	ALA A 81 TYR A 245 GLY A 372 SER A 294 GLY A 82	HCA A 501 (-3.3A) ICS A 502 (-4.1A) ICS A 502 (-3.5A) ICS A 502 ( 3.7A) None	1.27A	4xnxA-5kojA: undetectable	4xnxA-5kojA: 21.31
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.	4XP4_A_COCA706_1 (DOPAMINE TRANSPORTER)	4wn9	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Clostridium pasteurianum)	5 / 11	PHE A 369 VAL A 62 GLY A 345 SER A 183 GLY A 57	ICS A 602 (-4.2A) None ICS A 602 (-3.7A) None None	1.29A	4xp4A-4wn9A: undetectable	4xp4A-4wn9A: 20.88
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.	4XPB_A_COCA702_1 (TRANSPORTER)	4wn9	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Clostridium pasteurianum)	5 / 10	PHE A 369 VAL A 62 GLY A 345 SER A 183 GLY A 57	ICS A 602 (-4.2A) None ICS A 602 (-3.7A) None None	1.39A	4xpbA-4wn9A: undetectable	4xpbA-4wn9A: 21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5L66_K_BO2K301_1 (PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 10	THR A 377 GLY A 356 ALA A 382 ASP A 402 SER A 48	None ICS A1496 (-3.4A) None None None	1.43A	5l66K-4wzbA: undetectable 5l66L-4wzbA: undetectable	5l66K-4wzbA: 18.22 5l66L-4wzbA: 19.21
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.	5L66_K_BO2K301_1 (PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 10	THR A 377 GLY A 357 ALA A 382 ASP A 402 SER A 48	None ICS A1496 (-3.6A) None None None	1.30A	5l66K-4wzbA: undetectable 5l66L-4wzbA: undetectable	5l66K-4wzbA: 18.22 5l66L-4wzbA: 19.21
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.	5L66_Y_BO2Y301_1 (PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 10	THR A 377 GLY A 356 ALA A 382 ASP A 402 SER A 48	None ICS A1496 (-3.4A) None None None	1.43A	5l66Y-4wzbA: undetectable 5l66Z-4wzbA: undetectable	5l66Y-4wzbA: 18.22 5l66Z-4wzbA: 19.21
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.	5L66_Y_BO2Y301_1 (PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 10	THR A 377 GLY A 357 ALA A 382 ASP A 402 SER A 48	None ICS A1496 (-3.6A) None None None	1.30A	5l66Y-4wzbA: undetectable 5l66Z-4wzbA: undetectable	5l66Y-4wzbA: 18.22 5l66Z-4wzbA: 19.21
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.	5X80_A_SALA201_1 (UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	4 / 5	ARG A 96 PRO A 74 GLY A 255 TYR A 229	ICS A1496 (-4.0A) None None ICS A1496 (-4.1A)	1.14A	5x80A-4wzbA: undetectable 5x80B-4wzbA: undetectable	5x80A-4wzbA: 17.04 5x80B-4wzbA: 17.04
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.	5X80_C_SALC201_1 (UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 7	ARG A 96 VAL A 110 PRO A 74 GLY A 255 TYR A 229	ICS A1496 (-4.0A) None None None ICS A1496 (-4.1A)	1.24A	5x80C-4wzbA: undetectable 5x80D-4wzbA: undetectable	5x80C-4wzbA: 17.04 5x80D-4wzbA: 17.04
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.	5X80_D_SALD201_1 (UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	4 / 5	PRO A 74 GLY A 255 TYR A 229 ARG A 96	None None ICS A1496 (-4.1A) ICS A1496 (-4.0A)	1.12A	5x80C-4wzbA: undetectable 5x80D-4wzbA: undetectable	5x80C-4wzbA: 17.04 5x80D-4wzbA: 17.04
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.	5YW0_A_ACTA409_0 (UNCHARACTERIZED PROTEIN KDOO)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	3 / 3	ASP A 228 PHE A 300 ARG A 359	None None ICS A1496 (-3.9A)	1.15A	5yw0A-4wzbA: undetectable	5yw0A-4wzbA: 20.21
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.	6A5Y_D_9CRD501_1 (RETINOIC ACID RECEPTOR RXR-ALPHA)	5koj	NITROGENASE PROTEIN ALPHA CHAIN (Gluconacetobacte r diazotrophicus)	3 / 3	ASN A 114 VAL A 371 HIS A 458	None ICS A 502 ( 4.4A) ICS A 502 ( 3.6A)	0.75A	6a5yD-5kojA: undetectable	6a5yD-5kojA: 10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6B89_A_NOVA403_2 (LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB)	4wn9	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Clostridium pasteurianum)	4 / 6	PHE A 462 ARG A 347 LEU A 341 ALA A 339	None ICS A 602 (-3.9A) None None	0.93A	6b89B-4wn9A: undetectable	6b89B-4wn9A: 9.88
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.	6DJ2_B_AB1B201_0 (HIV-1 PROTEASE)	4wzb	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Azotobacter vinelandii)	5 / 10	ILE A 355 GLY A 422 ILE A 421 VAL A 404 ILE A 59	ICS A1496 (-4.1A) None None None None	1.01A	6dj2A-4wzbA: undetectable	6dj2A-4wzbA: 10.80
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.	6GQI_A_ACTA604_0 (CYCLOHEXANONE MONOOXYGENASE FROM THERMOCRISPUM MUNICIPALE)	4wn9	NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN (Clostridium pasteurianum)	4 / 6	PRO A 65 ILE A 218 GLY A 242 GLU A 215	None ICS A 602 ( 4.9A) None None	1.14A	6gqiA-4wn9A: 2.2	6gqiA-4wn9A: 21.68

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1ITU_A_CILA451_1","RENAL DIPEPTIDASE","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"HIS A 362;HIS A 451;ARG A 359;TYR A 229;ASP A 228","None;None;ICS A1496 (-3.9A);ICS A1496 (-4.1A);None","1.36A","1ituA-4wzbA:undetectable",null],["1KIF_A_BEZA349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifA-5kojA:2.8","1ituA-4wzbA:22.56"],["1KIF_A_BEZA349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.30A","1kifA-5kojA:2.8","1kifA-5kojA:21.87"],["1KIF_B_BEZB349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifB-5kojA:2.8","1kifA-5kojA:21.87"],["1KIF_B_BEZB349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.30A","1kifB-5kojA:2.8","1kifB-5kojA:21.87"],["1KIF_C_BEZC349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifC-5kojA:undetectable","1kifB-5kojA:21.87"],["1KIF_C_BEZC349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.30A","1kifC-5kojA:undetectable","1kifC-5kojA:21.87"],["1KIF_D_BEZD349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifD-5kojA:undetectable","1kifC-5kojA:21.87"],["1KIF_D_BEZD349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.29A","1kifD-5kojA:undetectable","1kifD-5kojA:21.87"],["1KIF_E_BEZE349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifE-5kojA:undetectable","1kifD-5kojA:21.87"],["1KIF_E_BEZE349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.30A","1kifE-5kojA:undetectable","1kifE-5kojA:21.87"],["1KIF_F_BEZF349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifF-5kojA:2.8","1kifE-5kojA:21.87"],["1KIF_F_BEZF349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.30A","1kifF-5kojA:2.8","1kifF-5kojA:21.87"],["1KIF_G_BEZG349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifG-5kojA:undetectable","1kifF-5kojA:21.87"],["1KIF_G_BEZG349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.29A","1kifG-5kojA:undetectable","1kifG-5kojA:21.87"],["1KIF_H_BEZH349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1kifH-5kojA:undetectable","1kifG-5kojA:21.87"],["1KIF_H_BEZH349_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.29A","1kifH-5kojA:undetectable","1kifH-5kojA:21.87"],["1VE9_A_BEZA352_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.15A","1ve9A-5kojA:2.8","1kifH-5kojA:21.87"],["1VE9_A_BEZA352_0","D-AMINO ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.35A","1ve9A-5kojA:2.8","1ve9A-5kojA:21.87"],["2DU8_G_BEZG2352_0","D-AMINO-ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.18A","2du8G-5kojA:2.8","1ve9A-5kojA:21.87"],["2DU8_G_BEZG2352_0","D-AMINO-ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.32A","2du8G-5kojA:2.8","2du8G-5kojA:21.59"],["2DU8_J_BEZJ3352_0","D-AMINO-ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 370;TYR A 417;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.21A","2du8J-5kojA:2.8","2du8G-5kojA:21.59"],["2DU8_J_BEZJ3352_0","D-AMINO-ACID OXIDASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"TYR A 395;TYR A 403;ILE A 416;GLY A 372","None;None;None;ICS A 502 (-3.5A)","1.28A","2du8J-5kojA:2.8","2du8J-5kojA:21.59"],["3CCF_A_BEZA261_0","CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",4,"GLY A  85;TRP A  88;TYR A 245;ARG A 112","None;None;ICS A 502 (-4.1A);ICS A 502 (-4.1A)","1.40A","3ccfA-5kojA:undetectable","2du8J-5kojA:21.59"],["4A99_C_MIYC392_1","TETX2 PROTEIN;TETX2 PROTEIN","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"PHE A 431;VAL A 404;ILE A  59;ILE A 355;TYR A 354","None;None;None;ICS A1496 (-4.1A);None","1.13A","4a99A-4wzbA:undetectable;4a99C-4wzbA:undetectable","3ccfA-5kojA:18.34"],["4XNX_A_41XA707_1","TRANSPORTER","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",5,"ALA A  81;TYR A 245;GLY A 372;SER A 294;GLY A  82","HCA A 501 (-3.3A);ICS A 502 (-4.1A);ICS A 502 (-3.5A);ICS A 502 ( 3.7A);None","1.27A","4xnxA-5kojA:undetectable","4a99A-4wzbA:20.32;4a99C-4wzbA:20.32"],["4XP4_A_COCA706_1","DOPAMINE TRANSPORTER","4wn9","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Clostridium pasteurianum",5,"PHE A 369;VAL A  62;GLY A 345;SER A 183;GLY A  57","ICS A 602 (-4.2A);None;ICS A 602 (-3.7A);None;None","1.29A","4xp4A-4wn9A:undetectable","4xnxA-5kojA:21.31"],["4XPB_A_COCA702_1","TRANSPORTER","4wn9","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Clostridium pasteurianum",5,"PHE A 369;VAL A  62;GLY A 345;SER A 183;GLY A  57","ICS A 602 (-4.2A);None;ICS A 602 (-3.7A);None;None","1.39A","4xpbA-4wn9A:undetectable","4xp4A-4wn9A:20.88"],["5L66_K_BO2K301_1","PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"THR A 377;GLY A 356;ALA A 382;ASP A 402;SER A  48","None;ICS A1496 (-3.4A);None;None;None","1.43A","5l66K-4wzbA:undetectable;5l66L-4wzbA:undetectable","4xpbA-4wn9A:21.57"],["5L66_K_BO2K301_1","PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"THR A 377;GLY A 357;ALA A 382;ASP A 402;SER A  48","None;ICS A1496 (-3.6A);None;None;None","1.30A","5l66K-4wzbA:undetectable;5l66L-4wzbA:undetectable","5l66K-4wzbA:18.22;5l66L-4wzbA:19.21"],["5L66_Y_BO2Y301_1","PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"THR A 377;GLY A 356;ALA A 382;ASP A 402;SER A  48","None;ICS A1496 (-3.4A);None;None;None","1.43A","5l66Y-4wzbA:undetectable;5l66Z-4wzbA:undetectable","5l66K-4wzbA:18.22;5l66L-4wzbA:19.21"],["5L66_Y_BO2Y301_1","PROTEASOME SUBUNIT BETA TYPE-8,PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6,PROTEASOME SUBUNIT BETA TYPE-1,PROTEASOME SUBUNIT BETA TYPE-6","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"THR A 377;GLY A 357;ALA A 382;ASP A 402;SER A  48","None;ICS A1496 (-3.6A);None;None;None","1.30A","5l66Y-4wzbA:undetectable;5l66Z-4wzbA:undetectable","5l66Y-4wzbA:18.22;5l66Z-4wzbA:19.21"],["5X80_A_SALA201_1","UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887;UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",4,"ARG A  96;PRO A  74;GLY A 255;TYR A 229","ICS A1496 (-4.0A);None;None;ICS A1496 (-4.1A)","1.14A","5x80A-4wzbA:undetectable;5x80B-4wzbA:undetectable","5l66Y-4wzbA:18.22;5l66Z-4wzbA:19.21"],["5X80_C_SALC201_1","UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887;UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"ARG A  96;VAL A 110;PRO A  74;GLY A 255;TYR A 229","ICS A1496 (-4.0A);None;None;None;ICS A1496 (-4.1A)","1.24A","5x80C-4wzbA:undetectable;5x80D-4wzbA:undetectable","5x80A-4wzbA:17.04;5x80B-4wzbA:17.04"],["5X80_D_SALD201_1","UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887;UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR RV2887","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",4,"PRO A  74;GLY A 255;TYR A 229;ARG A  96","None;None;ICS A1496 (-4.1A);ICS A1496 (-4.0A)","1.12A","5x80C-4wzbA:undetectable;5x80D-4wzbA:undetectable","5x80C-4wzbA:17.04;5x80D-4wzbA:17.04"],["5YW0_A_ACTA409_0","UNCHARACTERIZED PROTEIN KDOO","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",3,"ASP A 228;PHE A 300;ARG A 359","None;None;ICS A1496 (-3.9A)","1.15A","5yw0A-4wzbA:undetectable","5x80C-4wzbA:17.04;5x80D-4wzbA:17.04"],["6A5Y_D_9CRD501_1","RETINOIC ACID RECEPTOR RXR-ALPHA","5koj","NITROGENASE PROTEIN ALPHA CHAIN","Gluconacetobacter diazotrophicus",3,"ASN A 114;VAL A 371;HIS A 458","None;ICS A 502 ( 4.4A);ICS A 502 ( 3.6A)","0.75A","6a5yD-5kojA:undetectable","5yw0A-4wzbA:20.21"],["6B89_A_NOVA403_2","LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB;LIPOPOLYSACCHARIDE EXPORT SYSTEM ATP-BINDING PROTEIN LPTB","4wn9","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Clostridium pasteurianum",4,"PHE A 462;ARG A 347;LEU A 341;ALA A 339","None;ICS A 602 (-3.9A);None;None","0.93A","6b89B-4wn9A:undetectable","6a5yD-5kojA:10.22"],["6DJ2_B_AB1B201_0","HIV-1 PROTEASE","4wzb","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Azotobacter vinelandii",5,"ILE A 355;GLY A 422;ILE A 421;VAL A 404;ILE A  59","ICS A1496 (-4.1A);None;None;None;None","1.01A","6dj2A-4wzbA:undetectable","6b89B-4wn9A:9.88"],["6GQI_A_ACTA604_0","CYCLOHEXANONE MONOOXYGENASE FROM THERMOCRISPUM MUNICIPALE","4wn9","NITROGENASE MOLYBDENUM-IRON PROTEIN ALPHA CHAIN","Clostridium pasteurianum",4,"PRO A  65;ILE A 218;GLY A 242;GLU A 215","None;ICS A 602 ( 4.9A);None;None","1.14A","6gqiA-4wn9A:2.2","6dj2A-4wzbA:10.80"]]