SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qpw'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		5 / 6 ALA A  57
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
HEM  A 650 (-4.2A)
None
HEM  A 650 ( 3.8A)
HEM  A 650 (-4.7A)
 0.92A 1iwhA-1qpwA:
27.1		 1iwhA-1qpwA:
86.52
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.
1LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 7 PHE A  43
PHE A  46
VAL A  62
HIS A  87
 HEM  A 650 (-4.1A)
None
HEM  A 650 ( 4.2A)
HEM  A 650 (-3.7A)
 0.94A 1lh6A-1qpwA:
13.3		 1lh6A-1qpwA:
19.48
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		5 / 12 SER A   3
SER A 124
ASN B  50
VAL B  33
THR B  38
 None
None
None
None
HEM  B 750 ( 4.4A)
 1.24A 2nniA-1qpwA:
undetectable		 2nniA-1qpwA:
15.24
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 8 GLY A  19
GLY A  18
GLY A  15
THR A  67
 None
 0.60A 3d41A-1qpwA:
undetectable		 3d41A-1qpwA:
19.86
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.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		5 / 12 TYR B 145
LEU B 141
VAL B 137
ARG B 104
VAL B  67
 None
HEM  B 750 (-4.9A)
None
None
HEM  B 750 ( 4.3A)
 1.23A 3vt7A-1qpwB:
undetectable		 3vt7A-1qpwB:
18.75
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)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 5 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.45A 4ifxA-1qpwA:
undetectable		 4ifxA-1qpwA:
21.32
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)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 5 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.42A 4ig1A-1qpwA:
undetectable		 4ig1A-1qpwA:
21.32
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)		 1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		3 / 3 VAL B  23
GLY B  25
LYS B  65
 None
 0.71A 4k50A-1qpwB:
undetectable		 4k50A-1qpwB:
16.07
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.
4K50_E_ACTE504_0
(RNA POLYMERASE
3D-POL)		 1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		3 / 3 VAL B  23
GLY B  25
LYS B  65
 None
 0.77A 4k50E-1qpwB:
undetectable		 4k50E-1qpwB:
16.07
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.
4K50_I_ACTI504_0
(RNA POLYMERASE
3D-POL)		 1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		3 / 3 VAL B  23
GLY B  25
LYS B  65
 None
 0.70A 4k50I-1qpwB:
undetectable		 4k50I-1qpwB:
16.07
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		4 / 8 VAL A  96
LEU A 100
GLN B 131
VAL B 134
 None
 0.56A 4ma7A-1qpwA:
2.8		 4ma7A-1qpwA:
18.52
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 5 ASN A 131
LEU A  76
SER A 133
LEU A  66
 None
None
None
HEM  A 650 ( 4.8A)
 0.91A 4n09C-1qpwA:
undetectable		 4n09C-1qpwA:
18.15
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.
4XDT_A_ACTA406_0
(FAD:PROTEIN FMN
TRANSFERASE)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 5 SER A 102
LYS A  99
LEU A 129
ASP A 126
 None
 1.46A 4xdtA-1qpwA:
undetectable		 4xdtA-1qpwA:
21.32
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		3 / 3 THR A  39
HIS A  24
LEU A 105
 HEM  A 650 ( 4.7A)
None
None
 0.71A 5axdA-1qpwA:
undetectable		 5axdA-1qpwA:
17.39
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.
5AXD_C_RBVC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		3 / 3 THR A  39
HIS A  24
LEU A 105
 HEM  A 650 ( 4.7A)
None
None
 0.76A 5axdC-1qpwA:
undetectable		 5axdC-1qpwA:
17.39
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)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 4 ASN A 131
LEU A  76
SER A 133
LEU A  66
 None
None
None
HEM  A 650 ( 4.8A)
 0.87A 5kb5A-1qpwA:
0.1		 5kb5A-1qpwA:
19.11
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
(Sus
scrofa) 		4 / 8 TRP A  14
ALA A  21
GLN A  20
HIS A 113
 None
 1.01A 5km8A-1qpwA:
undetectable
5km8B-1qpwA:
undetectable		 5km8A-1qpwA:
24.38
5km8B-1qpwA:
24.38
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.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		5 / 12 GLY B  64
LYS B  59
VAL B 133
LEU B  75
ILE B 110
 None
 1.17A 5vooF-1qpwB:
undetectable		 5vooF-1qpwB:
24.41
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)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		5 / 8 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.47A 5x2sI-1qpwA:
25.8
5x2sJ-1qpwA:
21.1
5x2sK-1qpwA:
26.3		 5x2sI-1qpwA:
84.40
5x2sJ-1qpwA:
41.22
5x2sK-1qpwA:
84.40
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)		 1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		5 / 8 PRO A  95
ALA A 130
THR A 134
THR A 137
TRP B  37
 None
 0.55A 5x2tI-1qpwA:
26.2
5x2tJ-1qpwA:
21.2
5x2tK-1qpwA:
26.1
5x2tL-1qpwA:
19.9		 5x2tI-1qpwA:
84.40
5x2tJ-1qpwA:
41.22
5x2tK-1qpwA:
84.40
5x2tL-1qpwA:
41.22
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)
(Sus
scrofa) 		5 / 9 VAL B  23
VAL B 112
LEU B  68
GLY B 107
LEU B 106
 None
None
None
None
HEM  B 750 (-4.3A)
 1.26A 6czmB-1qpwB:
undetectable
6czmC-1qpwB:
undetectable		 6czmB-1qpwB:
18.80
6czmC-1qpwB:
18.80