SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2itb'

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.
1RNR_A_DAHA208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		5 / 11 GLU A  69
HIS A  72
GLU A 122
PHE A 129
GLU A 151
 FE  A 502 ( 2.5A)
FE  A 501 ( 3.6A)
FE  A 502 ( 2.0A)
None
FE  A 501 (-3.4A)
 1.17A 1rnrA-2itbA:
2.5		 1rnrA-2itbA:
19.20
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.
1RNR_B_DAHB208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		5 / 12 GLU A  69
HIS A  72
GLU A 122
PHE A 129
GLU A 151
 FE  A 502 ( 2.5A)
FE  A 501 ( 3.6A)
FE  A 502 ( 2.0A)
None
FE  A 501 (-3.4A)
 1.21A 1rnrB-2itbA:
2.5		 1rnrB-2itbA:
19.20
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.
1RNR_B_DAHB208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		5 / 12 GLU A 151
HIS A 154
TYR A 158
GLU A  38
GLU A  69
 FE  A 501 (-3.4A)
FE  A 502 ( 3.2A)
EDO  A 510 (-4.4A)
FE  A 501 (-2.6A)
FE  A 502 ( 2.5A)
 0.96A 1rnrB-2itbA:
2.5		 1rnrB-2itbA:
19.20
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.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		3 / 3 ARG A 173
VAL A 117
GLY A  98
 EDO  A 509 (-4.6A)
EDO  A 506 (-4.2A)
None
 0.63A 2avvE-2itbA:
undetectable		 2avvE-2itbA:
17.41
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		3 / 3 LEU A 102
LEU A  99
ARG A  94
 EDO  A 504 (-4.1A)
None
None
 0.68A 3hcnB-2itbA:
undetectable		 3hcnB-2itbA:
20.91
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		4 / 7 ALA A 162
GLY A 118
ALA A 119
GLU A 122
 None
EDO  A 506 (-3.6A)
None
FE  A 502 ( 2.0A)
 0.87A 4r1zB-2itbA:
undetectable		 4r1zB-2itbA:
20.56
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.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)		 2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE
(Pseudomonas
putida) 		3 / 3 GLY A 146
LEU A 148
HIS A 145
 None
 0.65A 5u63B-2itbA:
undetectable		 5u63B-2itbA:
23.22