SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ibt'

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.
1GX9_A_REAA1163_1
(BETA-LACTOGLOBULIN)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 11 LEU A  43
ILE A 119
GLU A 260
ILE A 211
PHE A  37
 None
 1.38A 1gx9A-3ibtA:
undetectable		 1gx9A-3ibtA:
22.52
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		4 / 4 ASP A  59
ASP A  76
ASP A  64
GLY A   8
 None
 1.29A 2igtC-3ibtA:
2.7		 2igtC-3ibtA:
21.62
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.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 MET A  91
ILE A  81
PRO A 206
GLY A 109
 None
 1.23A 2pnjB-3ibtA:
3.0		 2pnjB-3ibtA:
20.71
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 THR A  23
PHE A  25
ILE A  81
ASP A  82
PHE A  89
 None
 1.32A 2v95A-3ibtA:
undetectable		 2v95A-3ibtA:
20.96
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.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 TRP A 178
PHE A 149
GLY A  29
HIS A  96
THR A  94
 None
 1.27A 2xffA-3ibtA:
undetectable		 2xffA-3ibtA:
18.74
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 CYH A 209
HIS A 210
PHE A 234
 None
 1.13A 3cr4X-3ibtA:
undetectable		 3cr4X-3ibtA:
15.15
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 GLY A  29
ASP A 120
ILE A 119
ASP A  33
LEU A  36
 None
 1.15A 3iv6B-3ibtA:
undetectable		 3iv6B-3ibtA:
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 PHE A 173
GLY A  29
ASP A 120
ILE A 119
LEU A  36
 None
 1.31A 3iv6B-3ibtA:
undetectable		 3iv6B-3ibtA:
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 PRO A  53
SER A  93
GLY A  97
ASP A  76
LEU A  77
 None
 1.15A 5eeiA-3ibtA:
undetectable		 5eeiA-3ibtA:
24.54
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 PRO A  53
SER A  93
GLY A  97
ASP A  76
LEU A  77
 None
 1.17A 5eeiB-3ibtA:
undetectable		 5eeiB-3ibtA:
24.54