SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ibn'

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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 5 THR A 102
ASP A 253
HIS A 220
HIS A  98
 None
FE  A 703 (-2.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-3.2A)
 1.21A 1ei6A-2ibnA:
undetectable		 1ei6A-2ibnA:
16.83
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 8 ASP A 124
HIS A 123
HIS A 220
HIS A  98
 FE  A 704 (-2.5A)
FE  A 703 (-3.3A)
FE  A 704 ( 3.4A)
FE  A 703 (-3.2A)
 0.75A 1ei6D-2ibnA:
undetectable		 1ei6D-2ibnA:
16.83
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.
1FWE_C_HAEC989_1
(UREASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 6 HIS A 123
HIS A  98
HIS A 194
HIS A 220
ASP A 253
 FE  A 703 (-3.3A)
FE  A 703 (-3.2A)
FE  A 704 ( 3.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-2.5A)
 1.15A 1fweC-2ibnA:
undetectable		 1fweC-2ibnA:
16.97
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 7 ARG A 171
ASP A 166
ARG A  57
ASP A 169
 None
 1.16A 2e5dA-2ibnA:
undetectable
2e5dB-2ibnA:
undetectable		 2e5dA-2ibnA:
22.15
2e5dB-2ibnA:
22.15
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 7 ASP A 169
ARG A 171
ASP A 166
ARG A  57
 None
 1.27A 2e5dA-2ibnA:
undetectable
2e5dB-2ibnA:
undetectable		 2e5dA-2ibnA:
22.15
2e5dB-2ibnA:
22.15
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.
2EIK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 7 LEU A 131
PHE A 132
MET A  71
THR A  72
 None
 1.02A 2eikA-2ibnA:
undetectable
2eikJ-2ibnA:
undetectable		 2eikA-2ibnA:
17.97
2eikJ-2ibnA:
11.20
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 7 LEU A 131
PHE A 132
MET A  71
THR A  72
 None
 1.00A 2zxwN-2ibnA:
undetectable
2zxwW-2ibnA:
undetectable		 2zxwN-2ibnA:
17.97
2zxwW-2ibnA:
11.20
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.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 7 LEU A 131
PHE A 132
MET A  71
THR A  72
 None
 0.99A 3ag2N-2ibnA:
undetectable
3ag2W-2ibnA:
undetectable		 3ag2N-2ibnA:
17.97
3ag2W-2ibnA:
11.20
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 7 LEU A 131
PHE A 132
MET A  71
THR A  72
 None
 0.99A 3ag4N-2ibnA:
undetectable
3ag4W-2ibnA:
undetectable		 3ag4N-2ibnA:
17.97
3ag4W-2ibnA:
11.20
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 12 LEU A  79
ALA A 130
GLY A 133
LEU A  83
ALA A 138
 None
 1.11A 3ou6A-2ibnA:
undetectable		 3ou6A-2ibnA:
22.05
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 12 LEU A  79
ALA A 130
GLY A 133
LEU A  83
ALA A 138
 None
 1.12A 3ou6B-2ibnA:
undetectable		 3ou6B-2ibnA:
22.05
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 12 LEU A  79
ALA A 130
GLY A 133
LEU A  83
ALA A 138
 None
 1.11A 3ou7B-2ibnA:
undetectable		 3ou7B-2ibnA:
22.05
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 6 GLN A 151
PHE A 222
PRO A 145
LEU A 185
 None
 1.24A 3tgvB-2ibnA:
undetectable		 3tgvB-2ibnA:
19.77
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.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 6 GLN A 151
PHE A 222
PRO A 145
LEU A 185
 None
 1.21A 3tgvD-2ibnA:
undetectable		 3tgvD-2ibnA:
19.77
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 6 HIS A 123
HIS A  98
HIS A 194
HIS A 220
ASP A 253
 FE  A 703 (-3.3A)
FE  A 703 (-3.2A)
FE  A 704 ( 3.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-2.5A)
 1.03A 4ubpC-2ibnA:
undetectable		 4ubpC-2ibnA:
17.35
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.
5DV4_A_NMYA601_1
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		5 / 12 LEU A 254
HIS A 194
PRO A 224
ASP A 195
LEU A 185
 None
FE  A 704 ( 3.5A)
None
I1N  A 710 ( 4.8A)
None
 1.40A 5dv4A-2ibnA:
undetectable		 5dv4A-2ibnA:
21.45
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.
5IH0_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 6 PHE A 207
PRO A 280
THR A  72
ILE A 275
 None
 1.41A 5ih0A-2ibnA:
undetectable		 5ih0A-2ibnA:
20.90
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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		3 / 3 THR A 143
SER A 221
ASP A  85
 None
I1N  A 710 (-2.3A)
I1N  A 710 (-3.1A)
 0.68A 5kvaA-2ibnA:
undetectable		 5kvaA-2ibnA:
19.10
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.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		3 / 3 THR A 143
SER A 221
ASP A  85
 None
I1N  A 710 (-2.3A)
I1N  A 710 (-3.1A)
 0.66A 5kvaB-2ibnA:
undetectable		 5kvaB-2ibnA:
19.10
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.
6B58_C_ACTC608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 2ibn INOSITOL OXYGENASE
(Homo
sapiens) 		4 / 5 TYR A 197
LYS A  59
GLN A  62
TYR A  68
 None
 1.47A 6b58C-2ibnA:
0.0		 6b58C-2ibnA:
17.04