SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bj1'

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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3bj1 HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 9 LEU B  68
LEU B 110
VAL B 137
ALA B 140
LEU B  88
 None
None
None
None
HEM  B 148 (-4.7A)
 1.11A 1tbfA-3bj1B:
undetectable		 1tbfA-3bj1B:
17.00
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.
1WMQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 ILE A  63
GLY A  60
ALA A  26
HIS A  59
 HEM  A 143 (-4.1A)
None
None
HEM  A 143 (-4.2A)
 0.96A 1wmqA-3bj1A:
undetectable		 1wmqA-3bj1A:
20.26
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.
1WMQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 ILE A  63
GLY A  60
ALA A  26
HIS A  59
 HEM  A 143 (-4.1A)
None
None
HEM  A 143 (-4.2A)
 0.95A 1wmqB-3bj1A:
1.1		 1wmqB-3bj1A:
20.26
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.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 ILE A  63
GLY A  60
ALA A  26
HIS A  59
 HEM  A 143 (-4.1A)
None
None
HEM  A 143 (-4.2A)
 0.97A 1wpuA-3bj1A:
undetectable		 1wpuA-3bj1A:
20.26
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.
1WPU_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 ILE A  63
GLY A  60
ALA A  26
HIS A  59
 HEM  A 143 (-4.1A)
None
None
HEM  A 143 (-4.2A)
 0.97A 1wpuB-3bj1A:
2.1		 1wpuB-3bj1A:
20.26
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.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 ILE A  63
GLY A  60
ALA A  26
HIS A  59
 HEM  A 143 (-4.1A)
None
None
HEM  A 143 (-4.2A)
 0.96A 1wrqA-3bj1A:
undetectable		 1wrqA-3bj1A:
20.26
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.
1WRQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 ILE A  63
GLY A  60
ALA A  26
HIS A  59
 HEM  A 143 (-4.1A)
None
None
HEM  A 143 (-4.2A)
 0.97A 1wrqB-3bj1A:
1.1		 1wrqB-3bj1A:
20.26
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_A_MK1A901_2
(POL POLYPROTEIN)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens) 		3 / 3 ASP B  19
VAL B 113
PRO A 120
 None
 0.80A 2avvA-3bj1B:
undetectable		 2avvA-3bj1B:
19.55
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 10 ILE B 112
ALA B 115
ALA B 116
ARG A  31
VAL B  34
 None
 1.08A 3falA-3bj1B:
undetectable		 3falA-3bj1B:
20.49
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.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 11 ARG A  31
GLN B 131
ALA B  26
PHE B 130
LEU B 118
 None
 1.37A 3jwqA-3bj1A:
undetectable
3jwqD-3bj1A:
undetectable		 3jwqA-3bj1A:
19.58
3jwqD-3bj1A:
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.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3bj1 HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 12 VAL B 137
LEU B 141
LEU B 134
ILE B  67
GLY B  70
 None
HEM  B 148 (-4.7A)
None
HEM  B 148 ( 4.4A)
HEM  B 148 ( 4.0A)
 1.19A 3kk6B-3bj1B:
undetectable		 3kk6B-3bj1B:
13.54
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.
3KU1_A_SAMA226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens;
Perca
flavescens) 		5 / 12 GLY A  30
VAL A  35
GLY B 124
ALA A  26
GLY A  25
 None
 0.89A 3ku1A-3bj1A:
undetectable		 3ku1A-3bj1A:
22.54
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.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens;
Perca
flavescens) 		5 / 12 GLY A  30
VAL A  35
GLY B 124
ALA A  26
GLY A  25
 None
 0.90A 3ku1C-3bj1A:
undetectable		 3ku1C-3bj1A:
22.54
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.
3KU1_G_SAMG226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens;
Perca
flavescens) 		5 / 12 GLY A  30
VAL A  35
GLY B 124
ALA A  26
GLY A  25
 None
 0.91A 3ku1G-3bj1A:
undetectable		 3ku1G-3bj1A:
22.54
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 11 GLN B 127
LEU B  18
VAL B  23
ALA B  26
PHE A 118
 None
 1.26A 3n23C-3bj1B:
undetectable		 3n23C-3bj1B:
8.87
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 3bj1 HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 12 GLY B  24
ALA B  22
ILE B  67
LEU B  18
HIS B  69
 None
None
HEM  B 148 ( 4.4A)
None
None
 0.94A 4azsA-3bj1B:
undetectable		 4azsA-3bj1B:
12.46
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.
4AZV_A_SAMA1474_0
(WBDD)		 3bj1 HEMOGLOBIN BETA
(Perca
flavescens) 		5 / 12 GLY B  24
ALA B  22
ILE B  67
LEU B  18
HIS B  69
 None
None
HEM  B 148 ( 4.4A)
None
None
 0.95A 4azvA-3bj1B:
undetectable		 4azvA-3bj1B:
12.46
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		4 / 6 LEU A 110
ILE A  17
ALA A  21
ALA A  26
 None
 0.77A 4zf8A-3bj1A:
undetectable		 4zf8A-3bj1A:
15.74
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		3 / 3 LYS A  11
LEU A  77
ASP A  75
 None
 0.91A 5zv2A-3bj1A:
undetectable		 5zv2A-3bj1A:
22.86
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 3bj1 HEMOGLOBIN ALPHA
(Perca
flavescens) 		5 / 12 ILE A 106
VAL A  68
VAL A  71
LEU A 102
PHE A 130
 None
None
None
HEM  A 143 (-4.2A)
None
 1.08A 6b52A-3bj1A:
undetectable		 6b52A-3bj1A:
21.43