SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5kel'

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.
1AJ6_A_NOVA1_1
(GYRASE)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		5 / 9 ASP H  73
ARG H  94
ILE H  51
ALA H  49
ILE H  69
 None
 1.31A 1aj6A-5kelH:
undetectable		 1aj6A-5kelH:
17.35
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.
1GMK_A_DVAA8_0
(GRAMICIDIN A)		 5kel C13C6 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		3 / 4 VAL C  35
TRP C  47
TRP C  52
 None
 1.23A 1gmkA-5kelC:
undetectable
1gmkB-5kelC:
undetectable		 1gmkA-5kelC:
18.18
1gmkB-5kelC:
18.18
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.
1M8H_A_H4BA902_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		4 / 5 SER H  70
ARG H  94
ILE H  69
TRP H  36
 None
 1.20A 1m8hA-5kelH:
0.0		 1m8hA-5kelH:
13.22
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.
1M8H_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		4 / 5 SER H  70
ARG H  94
ILE H  69
TRP H  36
 None
 1.21A 1m8hB-5kelH:
0.0		 1m8hB-5kelH:
13.22
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.
2A3A_A_TEPA1435_1
(CHITINASE)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		3 / 3 TRP A  86
GLU A 178
TYR A 109
 None
 1.08A 2a3aA-5kelA:
undetectable		 2a3aA-5kelA:
23.27
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.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		5 / 12 THR A  83
PHE A  88
ALA A 148
GLY A 143
GLN A 221
 None
 1.04A 2ve3A-5kelA:
undetectable		 2ve3A-5kelA:
20.87
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.
3CLD_A_GW6A1_1
(GLUCOCORTICOID
RECEPTOR)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
EBOLA SURFACE
GLYCOPROTEIN, GP1
(Homo
sapiens;
Zaire
ebolavirus) 		5 / 12 ASN H  96
GLY H  95
LEU H  52
ARG H  71
THR A  42
 None
 1.50A 3cldA-5kelH:
undetectable		 3cldA-5kelH:
18.60
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.
3E6L_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		4 / 5 SER H  70
ARG H  94
ILE H  69
TRP H  36
 None
 1.18A 3e6lA-5kelH:
0.0		 3e6lA-5kelH:
13.25
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		4 / 4 GLY A 143
VAL A 141
GLY A 173
THR A 174
 None
 0.93A 3ib2A-5kelA:
undetectable		 3ib2A-5kelA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		5 / 12 VAL H   2
ALA H  24
MET H  34
ARG H  71
VAL H  78
 None
 1.01A 3qxtA-5kelH:
17.3		 3qxtA-5kelH:
51.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		5 / 12 ALA H  24
MET H  34
ARG H  71
VAL H  78
TYR H 102
 None
 0.88A 3qxvB-5kelH:
17.1		 3qxvB-5kelH:
51.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_D_MTXD2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		6 / 12 VAL H   2
ALA H  24
MET H  34
ARG H  71
VAL H  78
TYR H 102
 None
 0.99A 3qxvD-5kelH:
17.1		 3qxvD-5kelH:
51.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		5 / 12 ALA H  24
MET H  34
ARG H  71
VAL H  78
TYR H 102
 None
 0.85A 3qxvE-5kelH:
14.8		 3qxvE-5kelH:
51.15
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.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		4 / 8 SER H  70
ARG H  94
ILE H  69
TRP H  36
 None
 1.21A 4cx7A-5kelH:
undetectable
4cx7B-5kelH:
undetectable		 4cx7A-5kelH:
13.55
4cx7B-5kelH:
13.55
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.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Homo
sapiens) 		5 / 12 ASP H  73
ARG H  94
ILE H  51
ALA H  49
ILE H  69
 None
 1.23A 4uroC-5kelH:
undetectable		 4uroC-5kelH:
19.03
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
C2G4 VARIABLE FAB
DOMAIN LIGHT CHAIN
(Homo
sapiens) 		3 / 3 ILE L  53
MET H 100
ASP L  56
 None
 0.68A 5h2uA-5kelL:
undetectable		 5h2uA-5kelL:
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		5 / 11 GLN A 251
ASN A 107
ASP A  78
THR A  77
LEU A 256
 None
 1.36A 5jh7B-5kelA:
undetectable		 5jh7B-5kelA:
23.40
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.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		5 / 11 GLN A 251
ASN A 107
ASP A  78
THR A  77
LEU A 256
 None
 1.39A 5jh7D-5kelA:
undetectable		 5jh7D-5kelA:
23.40
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.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 5kel C13C6 VARIABLE FAB
DOMAIN HEAVY CHAIN
EBOLA SURFACE
GLYCOPROTEIN, GP1
(Homo
sapiens;
Zaire
ebolavirus) 		5 / 12 LEU A 273
ASP C  54
GLY C  33
ALA C 100
ASN C 100
 None
 1.31A 5kc4A-5kelA:
undetectable		 5kc4A-5kelA:
15.89
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		5 / 12 ARG A 172
LEU A 111
PHE A 225
GLY A 224
GLY A 145
 None
 0.97A 5l6eA-5kelA:
undetectable		 5l6eA-5kelA:
19.30
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
C13C6 VARIABLE FAB
DOMAIN HEAVY CHAIN
(Zaire
ebolavirus;
Homo
sapiens) 		4 / 8 GLN A 221
GLY A 143
GLU A 112
TRP C  53
 None
 0.96A 5vlmD-5kelA:
undetectable		 5vlmD-5kelA:
17.03
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.
6FGD_A_ACTA810_0
(GEPHYRIN)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		3 / 3 LEU A 184
LEU A 186
ARG A  64
 None
 0.68A 6fgdA-5kelA:
undetectable		 6fgdA-5kelA:
24.00
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.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5kel EBOLA SURFACE
GLYCOPROTEIN, GP1
(Zaire
ebolavirus) 		4 / 7 HIS A 154
HIS A 139
GLU A 178
GLU A 103
 None
 1.34A 6mn4F-5kelA:
undetectable		 6mn4F-5kelA:
21.49