SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3d1a'

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.
1FBM_B_RTLB951_1
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 4 THR A  79
LEU A  76
VAL A 132
LEU A 129
 None
 1.05A 1fbmB-3d1aA:
undetectable		 1fbmB-3d1aA:
11.97
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.
1LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 7 PHE A  43
PHE A  46
VAL A  62
HIS A  87
 HEM  A 142 (-3.5A)
HEM  A 142 (-4.6A)
HEM  A 142 ( 4.4A)
HEM  A 142 (-3.5A)
 0.94A 1lh6A-3d1aA:
13.8		 1lh6A-3d1aA:
20.89
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		5 / 12 LEU A 109
GLY A  18
ASN A  20
ALA A  21
ALA A  64
 None
 1.18A 2bm9C-3d1aA:
undetectable		 2bm9C-3d1aA:
19.50
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		5 / 12 LEU A 113
GLY A  18
ASN A  20
ALA A  21
ALA A  63
 None
 0.91A 2bm9E-3d1aA:
undetectable		 2bm9E-3d1aA:
19.50
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.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		5 / 11 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
 1.13A 2bxeB-3d1aA:
2.2		 2bxeB-3d1aA:
13.23
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.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		3 / 3 PHE A  46
SER A  52
GLN A  54
 HEM  A 142 (-4.6A)
None
None
 0.85A 3smtA-3d1aA:
undetectable		 3smtA-3d1aA:
14.23
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.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 5 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.37A 4ifxA-3d1aA:
undetectable		 4ifxA-3d1aA:
21.92
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.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 5 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.33A 4ig1A-3d1aA:
undetectable		 4ig1A-3d1aA:
21.92
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 5 ASN A 131
LEU A  76
SER A 133
LEU A  66
 None
None
None
HEM  A 142 ( 4.8A)
 1.04A 4n09C-3d1aA:
undetectable		 4n09C-3d1aA:
18.56
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.
4XDT_A_ACTA406_0
(FAD:PROTEIN FMN
TRANSFERASE)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 5 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.37A 4xdtA-3d1aA:
undetectable		 4xdtA-3d1aA:
21.92
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.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 4 ASN A 131
LEU A  76
SER A 133
LEU A  66
 None
None
None
HEM  A 142 ( 4.8A)
 0.97A 5kb5A-3d1aA:
undetectable		 5kb5A-3d1aA:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 8 PRO A  95
THR A 134
THR A 137
TYR A 140
 None
 0.77A 5x2sI-3d1aA:
26.4
5x2sJ-3d1aA:
21.8
5x2sK-3d1aA:
26.3		 5x2sI-3d1aA:
86.52
5x2sJ-3d1aA:
43.24
5x2sK-3d1aA:
86.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2
(Capra
hircus) 		4 / 8 PRO A  95
ALA A 130
THR A 134
THR A 137
 None
 0.59A 5x2tI-3d1aA:
26.5
5x2tJ-3d1aA:
21.9
5x2tK-3d1aA:
26.4
5x2tL-3d1aA:
20.5		 5x2tI-3d1aA:
86.52
5x2tJ-3d1aA:
43.24
5x2tK-3d1aA:
86.52
5x2tL-3d1aA:
43.24