SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3itq'

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.	1FM4_A_DXCA1002_0 (MAJOR POLLEN ALLERGEN BET V 1-L)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	5 / 12	VAL A 47 ILE A 99 VAL A 210 ILE A 143 LEU A 44	None	1.22A	1fm4A-3itqA: undetectable	1fm4A-3itqA: 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.	1UOF_A_PNNA1312_0 (DEACETOXYCEPHALOSPOR IN C SYNTHETASE)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	5 / 11	HIS A 127 ASP A 129 THR A 145 HIS A 193 VAL A 147	GOL A 968 (-4.4A) GOL A 968 (-2.8A) GOL A 968 ( 4.1A) GOL A 968 (-4.1A) None	0.94A	1uofA-3itqA: 4.2	1uofA-3itqA: 21.34
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.	1XOQ_A_ROFA502_1 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	3 / 3	ASN A 117 TRP A 204 GLN A 122	None	1.44A	1xoqA-3itqA: undetectable	1xoqA-3itqA: 20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ZEA_A_DHIA6_0 (MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, H CHAIN MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, L CHAIN SHORT SYNTHETIC D-AMINO ACID PEPTIDE D2)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	3 / 3	TRP A 209 ARG A 211 PHE A 131	GOL A 968 (-4.4A) None None	1.48A	1zeaH-3itqA: undetectable 1zeaL-3itqA: undetectable	1zeaH-3itqA: 21.12 1zeaL-3itqA: 20.18
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.	3JQ7_C_DX2C270_1 (PTERIDINE REDUCTASE 1)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	4 / 8	PHE A 161 VAL A 42 LEU A 40 PRO A 39	None	1.16A	3jq7C-3itqA: undetectable	3jq7C-3itqA: 20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3KCX_A_CQLA1_0 (HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	5 / 10	LEU A 116 HIS A 127 ASP A 129 HIS A 193 TRP A 209	None GOL A 968 (-4.4A) GOL A 968 (-2.8A) GOL A 968 (-4.1A) GOL A 968 (-4.4A)	1.01A	3kcxA-3itqA: 7.8	3kcxA-3itqA: 19.58
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.	3KCX_A_CQLA1_0 (HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	5 / 10	TYR A 118 LEU A 116 HIS A 127 HIS A 193 TRP A 209	None None GOL A 968 (-4.4A) GOL A 968 (-4.1A) GOL A 968 (-4.4A)	1.45A	3kcxA-3itqA: 7.8	3kcxA-3itqA: 19.58
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.	4F5Z_A_BEZA302_0 (HALOALKANE DEHALOGENASE)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	4 / 8	ASP A 129 TRP A 209 VAL A 176 HIS A 193	GOL A 968 (-2.8A) GOL A 968 (-4.4A) None GOL A 968 (-4.1A)	1.17A	4f5zA-3itqA: undetectable	4f5zA-3itqA: 19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5VLM_G_CVIG301_0 (REGULATORY PROTEIN TETR)	3itq	PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN (Bacillus anthracis)	5 / 12	ALA A 93 GLU A 55 LEU A 59 ILE A 115 ASP A 54	None	1.23A	5vlmG-3itqA: undetectable	5vlmG-3itqA: 20.75

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1FM4_A_DXCA1002_0","MAJOR POLLEN ALLERGEN BET V 1-L","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",5,"VAL A  47;ILE A  99;VAL A 210;ILE A 143;LEU A  44","None","1.22A","1fm4A-3itqA:undetectable","1fm4A-3itqA:21.98"],["1UOF_A_PNNA1312_0","DEACETOXYCEPHALOSPORIN C SYNTHETASE","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",5,"HIS A 127;ASP A 129;THR A 145;HIS A 193;VAL A 147","GOL A 968 (-4.4A);GOL A 968 (-2.8A);GOL A 968 ( 4.1A);GOL A 968 (-4.1A);None","0.94A","1uofA-3itqA:4.2","1uofA-3itqA:21.34"],["1XOQ_A_ROFA502_1","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",3,"ASN A 117;TRP A 204;GLN A 122","None","1.44A","1xoqA-3itqA:undetectable","1xoqA-3itqA:20.00"],["1ZEA_A_DHIA6_0","MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, H CHAIN;MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, L CHAIN;SHORT SYNTHETIC D-AMINO ACID PEPTIDE D2","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",3,"TRP A 209;ARG A 211;PHE A 131","GOL A 968 (-4.4A);None;None","1.48A","1zeaH-3itqA:undetectable;1zeaL-3itqA:undetectable","1zeaH-3itqA:21.12;1zeaL-3itqA:20.18"],["3JQ7_C_DX2C270_1","PTERIDINE REDUCTASE 1","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",4,"PHE A 161;VAL A  42;LEU A  40;PRO A  39","None","1.16A","3jq7C-3itqA:undetectable","3jq7C-3itqA:20.60"],["3KCX_A_CQLA1_0","HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",5,"LEU A 116;HIS A 127;ASP A 129;HIS A 193;TRP A 209","None;GOL A 968 (-4.4A);GOL A 968 (-2.8A);GOL A 968 (-4.1A);GOL A 968 (-4.4A)","1.01A","3kcxA-3itqA:7.8","3kcxA-3itqA:19.58"],["3KCX_A_CQLA1_0","HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",5,"TYR A 118;LEU A 116;HIS A 127;HIS A 193;TRP A 209","None;None;GOL A 968 (-4.4A);GOL A 968 (-4.1A);GOL A 968 (-4.4A)","1.45A","3kcxA-3itqA:7.8","3kcxA-3itqA:19.58"],["4F5Z_A_BEZA302_0","HALOALKANE DEHALOGENASE","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",4,"ASP A 129;TRP A 209;VAL A 176;HIS A 193","GOL A 968 (-2.8A);GOL A 968 (-4.4A);None;GOL A 968 (-4.1A)","1.17A","4f5zA-3itqA:undetectable","4f5zA-3itqA:19.94"],["5VLM_G_CVIG301_0","REGULATORY PROTEIN TETR","3itq","PROLYL 4-HYDROXYLASE, ALPHA SUBUNIT DOMAIN PROTEIN","Bacillus anthracis",5,"ALA A  93;GLU A  55;LEU A  59;ILE A 115;ASP A  54","None","1.23A","5vlmG-3itqA:undetectable","5vlmG-3itqA:20.75"]]