SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2iaa'

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.
1OE1_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.37A 1oe1A-2iaaC:
undetectable		 1oe1A-2iaaC:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE2_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 5 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.35A 1oe2A-2iaaC:
8.2		 1oe2A-2iaaC:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.38A 1oe3A-2iaaC:
undetectable		 1oe3A-2iaaC:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQD_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.56A 2fqdA-2iaaC:
3.3		 2fqdA-2iaaC:
13.58
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.
2FQE_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.58A 2fqeA-2iaaC:
3.3		 2fqeA-2iaaC:
13.58
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.
2FQF_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.58A 2fqfA-2iaaC:
3.3		 2fqfA-2iaaC:
13.58
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.
2FQG_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.61A 2fqgA-2iaaC:
3.1		 2fqgA-2iaaC:
13.58
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 2iaa AZURIN
(Alcaligenes
faecalis) 		3 / 3 HIS C 117
MET C 121
MET C  44
 CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
None
 1.38A 2vj1A-2iaaC:
undetectable		 2vj1A-2iaaC:
17.31
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.
2XXG_A_CUA1337_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.36A 2xxgA-2iaaC:
8.0		 2xxgA-2iaaC:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 5 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.41A 2xxgC-2iaaC:
8.1		 2xxgC-2iaaC:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 7 GLY C  89
PHE C 111
GLY C   9
PHE C  15
 None
 0.97A 3ko0M-2iaaC:
undetectable
3ko0P-2iaaC:
undetectable		 3ko0M-2iaaC:
22.40
3ko0P-2iaaC:
22.40
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.
4EF3_A_CUA1001_0
(BLUE COPPER OXIDASE
CUEO)		 2iaa AZURIN
(Alcaligenes
faecalis) 		4 / 4 HIS C  46
CYH C 112
HIS C 117
MET C 121
 CU  C 130 (-3.3A)
CU  C 130 (-2.4A)
CU  C 130 (-3.3A)
CU  C 130 (-3.0A)
 0.59A 4ef3A-2iaaC:
3.4		 4ef3A-2iaaC:
13.58
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.
4IIZ_A_LURA201_1
(TRANSTHYRETIN)		 2iaa AZURIN
(Alcaligenes
faecalis) 		3 / 3 LYS C  41
LEU C  68
ALA C  42
 None
 0.77A 4iizA-2iaaC:
2.4		 4iizA-2iaaC:
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.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 2iaa AZURIN
(Alcaligenes
faecalis) 		3 / 5 GLY C  37
GLY C   9
GLU C   8
 None
 0.49A 4z2eA-2iaaC:
undetectable
4z2eD-2iaaC:
undetectable		 4z2eA-2iaaC:
13.78
4z2eD-2iaaC:
18.68