SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qka'

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.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 7 GLU A  73
ASN A  75
PRO A  30
ALA A  32
 None
 1.08A 2ejfA-3qkaA:
undetectable		 2ejfA-3qkaA:
22.95
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 7 GLU A  73
ASN A  75
PRO A  30
ALA A  32
 None
 1.11A 2ejgA-3qkaA:
undetectable		 2ejgA-3qkaA:
23.73
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.
2EJG_B_ADNB1502_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 7 GLU A  73
ASN A  75
PRO A  30
ALA A  32
 None
 1.16A 2ejgB-3qkaA:
undetectable		 2ejgB-3qkaA:
23.73
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		5 / 12 LEU A 113
MET A  85
LEU A 137
CYH A  61
THR A  59
 None
 1.45A 2oaxA-3qkaA:
undetectable		 2oaxA-3qkaA:
23.96
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.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 7 ALA A  51
THR A  14
ALA A  48
ARG A   9
 None
 0.92A 2ql8A-3qkaA:
undetectable
2ql8B-3qkaA:
undetectable		 2ql8A-3qkaA:
17.90
2ql8B-3qkaA:
17.90
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		5 / 12 LEU A 111
GLY A  63
VAL A  16
ALA A  64
PRO A  87
 None
 1.38A 2vmyB-3qkaA:
undetectable		 2vmyB-3qkaA:
22.33
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		5 / 12 LEU A 111
GLY A 107
VAL A  16
ALA A  64
PRO A  87
 None
 1.24A 2vmyB-3qkaA:
undetectable		 2vmyB-3qkaA:
22.33
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.
2XN5_A_FUNA1356_2
(THYROXINE-BINDING
GLOBULIN)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		3 / 3 LEU A 148
ARG A 147
ILE A 149
 None
 0.67A 2xn5B-3qkaA:
undetectable		 2xn5B-3qkaA:
10.30
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.
2ZGW_B_ADNB1302_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 6 GLU A  73
ASN A  75
PRO A  30
ALA A  32
 None
 1.12A 2zgwB-3qkaA:
undetectable		 2zgwB-3qkaA:
22.95
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 8 GLN A   6
VAL A  52
CYH A  54
ARG A 185
 None
 1.00A 3b9lA-3qkaA:
undetectable		 3b9lA-3qkaA:
18.29
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.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 6 LEU A  53
VAL A  16
LEU A  92
ASP A  45
 None
 0.82A 3cs9D-3qkaA:
undetectable		 3cs9D-3qkaA:
19.59
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		6 / 12 GLY A  57
GLY A 102
SER A 101
ALA A  99
ALA A  98
CYH A 115
 None
 1.31A 3keeA-3qkaA:
undetectable		 3keeA-3qkaA:
23.83
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.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		5 / 12 GLY A  57
SER A 101
ALA A  99
ALA A  98
CYH A 115
 None
 0.89A 3sufD-3qkaA:
undetectable		 3sufD-3qkaA:
23.57
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.
3TIC_A_ZMRA1002_2
(NEURAMINIDASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 5 LEU A 113
ARG A 118
ILE A 172
ARG A 153
 None
 1.41A 3ticA-3qkaA:
undetectable		 3ticA-3qkaA:
18.80
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		5 / 12 ASP A  45
ARG A   9
ILE A  17
ALA A  99
ALA A 192
 None
 1.37A 3ua1A-3qkaA:
undetectable		 3ua1A-3qkaA:
18.02
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.
3WQW_A_GCSA502_1
(CHITINASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 5 TRP A 133
GLY A 108
ALA A  62
PHE A  69
 None
 1.13A 3wqwA-3qkaA:
undetectable		 3wqwA-3qkaA:
20.10
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 7 ALA A 120
PHE A 126
ALA A 104
ALA A  98
 None
 0.84A 4du2A-3qkaA:
undetectable		 4du2A-3qkaA:
20.17
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 7 ALA A 120
PHE A 126
ALA A 104
ALA A  98
 None
 0.76A 4du2B-3qkaA:
undetectable		 4du2B-3qkaA:
20.17
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 8 SER A  47
LEU A  92
ALA A  51
THR A  14
 None
 0.80A 4iklA-3qkaA:
undetectable
4iklB-3qkaA:
undetectable		 4iklA-3qkaA:
20.65
4iklB-3qkaA:
20.65
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		5 / 12 TRP A 114
PHE A  39
ALA A  51
GLY A  55
LEU A 111
 None
 1.13A 5m24A-3qkaA:
undetectable		 5m24A-3qkaA:
22.34
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 3qka ENOYL-COA HYDRATASE,
ECHA5
(Mycobacterium
marinum) 		4 / 6 GLY A  81
GLY A  83
PRO A  84
GLY A  86
 None
 0.75A 6ag0C-3qkaA:
undetectable		 6ag0C-3qkaA:
15.89