SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bcq'

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.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 LEU A 133
SER A  72
ILE A  74
LEU A   2
ILE A  10
 HEM  A 143 (-4.9A)
None
None
None
None
 0.97A 1dhjA-3bcqA:
undetectable		 1dhjA-3bcqA:
20.93
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.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 LEU A 133
SER A  72
ILE A  74
LEU A   2
ILE A  10
 HEM  A 143 (-4.9A)
None
None
None
None
 0.98A 1draA-3bcqA:
undetectable		 1draA-3bcqA:
20.35
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.
1LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		4 / 7 PHE B  42
PHE B  45
VAL B  67
HIS B  92
 HEM  B 147 (-4.1A)
HEM  B 147 ( 4.9A)
HEM  B 147 (-4.2A)
HEM  B 147 (-3.3A)
 0.82A 1lh6A-3bcqB:
13.5		 1lh6A-3bcqB:
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.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 LEU A 133
SER A  72
ILE A  74
LEU A   2
ILE A  10
 HEM  A 143 (-4.9A)
None
None
None
None
 0.97A 2drcA-3bcqA:
undetectable		 2drcA-3bcqA:
20.93
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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 11 LEU A 130
LEU A 106
ILE A  10
MET A  64
LEU A 137
 None
 1.23A 2ft9A-3bcqA:
undetectable		 2ft9A-3bcqA:
20.92
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.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 10 ILE A  74
LEU A  87
THR A  83
ILE A  10
GLY A  65
 None
 1.35A 2v0mA-3bcqA:
undetectable		 2v0mA-3bcqA:
16.42
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.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 10 ILE A  24
ALA A 111
ILE A  17
SER A 125
ILE A  10
 None
 1.20A 2w9sC-3bcqA:
undetectable		 2w9sC-3bcqA:
22.67
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.
3ABL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		4 / 5 GLN B 132
PHE B 134
LEU B  14
PHE B 118
 None
 1.31A 3ablC-3bcqB:
undetectable
3ablJ-3bcqB:
undetectable		 3ablC-3bcqB:
20.90
3ablJ-3bcqB:
19.18
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 ILE B  75
LEU B  14
ALA B  10
ILE B 110
LEU B 135
 None
 1.03A 3dauA-3bcqB:
undetectable		 3dauA-3bcqB:
21.64
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.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 LEU A 133
SER A  72
ILE A  74
LEU A   2
ILE A  10
 HEM  A 143 (-4.9A)
None
None
None
None
 0.98A 3drcA-3bcqA:
undetectable		 3drcA-3bcqA:
20.93
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.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		4 / 8 VAL B  60
HIS B  41
THR B  38
VAL B  98
 None
HEM  B 147 (-4.3A)
HEM  B 147 (-4.0A)
HEM  B 147 (-4.3A)
 1.05A 3fhxB-3bcqB:
undetectable		 3fhxB-3bcqB:
16.88
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.
3THR_A_C2FA1100_1
(GLYCINE
N-METHYLTRANSFERASE)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		3 / 3 LEU B  96
HIS B  92
MET B  91
 HEM  B 147 (-4.5A)
HEM  B 147 (-3.3A)
HEM  B 147 (-4.0A)
 0.91A 3thrD-3bcqB:
undetectable		 3thrD-3bcqB:
22.07
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		4 / 8 VAL B 114
TRP B 131
TRP B  15
PRO B  25
 None
 1.33A 3v35A-3bcqB:
undetectable		 3v35A-3bcqB:
17.26
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 ILE B  75
LEU B  14
ALA B  10
ILE B 110
LEU B 135
 None
 0.95A 4pssA-3bcqB:
undetectable		 4pssA-3bcqB:
21.64
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 ILE B  75
LEU B  14
ALA B  10
ILE B 110
LEU B 135
 None
 1.01A 4psyA-3bcqB:
undetectable		 4psyA-3bcqB:
21.64
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 LEU A  92
VAL A  94
VAL A  63
VAL A  67
LEU A 133
 HEM  A 143 (-4.1A)
HEM  A 143 (-4.5A)
HEM  A 143 (-4.3A)
None
HEM  A 143 (-4.9A)
 1.00A 4y0pA-3bcqA:
undetectable		 4y0pA-3bcqA:
28.24
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.
4Y0Q_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		6 / 12 LEU A  92
VAL A  94
LEU A 106
VAL A  63
VAL A  67
LEU A 133
 HEM  A 143 (-4.1A)
HEM  A 143 (-4.5A)
None
HEM  A 143 (-4.3A)
None
HEM  A 143 (-4.9A)
 1.19A 4y0qA-3bcqA:
undetectable		 4y0qA-3bcqA:
28.24
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.
5FUK_A_SNPA1236_1
(MROUPO)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		4 / 7 ILE A  17
ILE A  10
SER A   9
LEU A 110
 None
 0.82A 5fukA-3bcqA:
undetectable
5fukB-3bcqA:
undetectable		 5fukA-3bcqA:
22.81
5fukB-3bcqA:
22.81
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3bcq ALPHA-CHAIN
HEMOGLOBIN
BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus;
Brycon
cephalus) 		3 / 3 ARG B  30
PRO A 120
ASN B  55
 None
 1.09A 5jwaA-3bcqB:
undetectable
5jwaH-3bcqB:
undetectable		 5jwaA-3bcqB:
14.48
5jwaH-3bcqB:
14.48
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.
5TUD_D_ERMD1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		5 / 12 VAL B  67
PHE B 134
VAL B 114
LEU B 135
VAL B 138
 HEM  B 147 (-4.2A)
None
None
None
None
 1.17A 5tudD-3bcqB:
undetectable		 5tudD-3bcqB:
12.80
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 3bcq BETA-CHAIN
HEMOGLOBIN
(Brycon
cephalus) 		4 / 6 HIS B  63
MET B  91
ASN B 102
LEU B  88
 OXY  B 148 ( 3.8A)
HEM  B 147 (-4.0A)
None
None
 1.42A 5xdhA-3bcqB:
1.7
5xdhC-3bcqB:
1.5		 5xdhA-3bcqB:
22.54
5xdhC-3bcqB:
22.54