SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qk8'

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.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		4 / 7 LEU A 168
LEU A 157
GLY A 160
LEU A 184
 None
 0.90A 1gtiA-3qk8A:
undetectable		 1gtiA-3qk8A:
20.70
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.
1OSV_B_CHCB201_2
(BILE ACID RECEPTOR)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		4 / 5 MET A  37
HIS A  38
ILE A 136
HIS A 140
 None
UNL  A 291 ( 4.0A)
None
UNL  A 291 ( 3.9A)
 1.36A 1osvB-3qk8A:
undetectable		 1osvB-3qk8A:
21.60
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.
1UNJ_W_DVAW8_0
(7-AMINO-ACTINOMYCIN
D)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		3 / 3 THR A 197
THR A 199
PRO A 196
 None
 0.85A 1unjW-3qk8A:
undetectable		 1unjW-3qk8A:
5.61
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.
1UNM_E_DVAE8_0
(7-AMINOACTINOMYCIN D)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		3 / 3 THR A 197
THR A 199
PRO A 196
 None
 0.84A 1unmE-3qk8A:
undetectable		 1unmE-3qk8A:
5.61
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.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 GLY A 118
ALA A 117
ILE A  75
GLY A 139
ILE A 137
 None
UNL  A 291 ( 3.3A)
None
None
None
 0.82A 2b60A-3qk8A:
undetectable		 2b60A-3qk8A:
18.37
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		4 / 8 PRO A  35
ALA A 117
ILE A  88
THR A  78
 None
UNL  A 291 ( 3.3A)
UNL  A 291 ( 4.2A)
UNL  A 291 ( 3.6A)
 0.86A 3dtuC-3qk8A:
undetectable
3dtuD-3qk8A:
undetectable		 3dtuC-3qk8A:
18.52
3dtuD-3qk8A:
21.22
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.
3S53_A_017A201_1
(PROTEASE)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 9 GLY A 118
ALA A 117
ILE A  75
GLY A 139
ILE A 137
 None
UNL  A 291 ( 3.3A)
None
None
None
 0.91A 3s53A-3qk8A:
undetectable		 3s53A-3qk8A:
18.05
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_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		6 / 12 VAL A  33
GLY A  70
ILE A 136
SER A  67
PHE A  66
ALA A 122
 None
 1.45A 3sufB-3qk8A:
undetectable		 3sufB-3qk8A:
20.42
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.
3V3O_A_T1CA404_1
(TETX2 PROTEIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 THR A 141
PHE A 239
GLY A 241
ALA A 117
GLY A 116
 None
None
None
UNL  A 291 ( 3.3A)
None
 1.27A 3v3oA-3qk8A:
undetectable		 3v3oA-3qk8A:
21.48
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		4 / 4 ASN A  22
SER A  67
LEU A  25
THR A 199
 None
 1.30A 4an2A-3qk8A:
undetectable		 4an2A-3qk8A:
22.91
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		6 / 12 LEU A  99
GLY A 116
ALA A  92
VAL A  33
VAL A  59
PHE A  66
 None
 1.23A 4wnwB-3qk8A:
undetectable		 4wnwB-3qk8A:
21.98
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.
4XT8_A_TMQA302_1
(RV2671)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 ILE A  75
SER A  71
GLY A  70
ARG A  87
GLU A  77
 None
 1.25A 4xt8A-3qk8A:
undetectable		 4xt8A-3qk8A:
26.91
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 VAL A  33
LEU A 235
HIS A  38
ALA A 117
ARG A  85
 None
None
UNL  A 291 ( 4.0A)
UNL  A 291 ( 3.3A)
None
 1.24A 5hnzB-3qk8A:
undetectable		 5hnzB-3qk8A:
20.32
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 VAL A  33
LEU A 235
HIS A  38
ALA A 117
ARG A  85
 None
None
UNL  A 291 ( 4.0A)
UNL  A 291 ( 3.3A)
None
 1.08A 5nd3B-3qk8A:
undetectable		 5nd3B-3qk8A:
20.32
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 VAL A  33
LEU A 235
HIS A  38
SER A  67
ARG A  85
 None
None
UNL  A 291 ( 4.0A)
None
None
 1.17A 5nd3B-3qk8A:
undetectable		 5nd3B-3qk8A:
20.32
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		4 / 4 LEU A 158
MET A 161
ILE A 136
LEU A 168
 None
 1.22A 5nfpA-3qk8A:
undetectable		 5nfpA-3qk8A:
21.24
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		3 / 3 HIS A 150
ASP A 149
HIS A 140
 None
UNL  A 291 ( 3.5A)
UNL  A 291 ( 3.9A)
 0.78A 5oexB-3qk8A:
undetectable		 5oexB-3qk8A:
20.97
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 12 VAL A  59
ALA A 125
ARG A 200
PRO A 105
LEU A 205
 None
 1.36A 5syfB-3qk8A:
undetectable		 5syfB-3qk8A:
19.39
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		3 / 3 GLU A 203
HIS A  18
ARG A  55
 None
 0.96A 5uunA-3qk8A:
undetectable		 5uunA-3qk8A:
21.02
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.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 10 SER A 128
LEU A 174
LEU A 119
ILE A 182
GLY A 183
 None
 1.23A 6dm0B-3qk8A:
2.0
6dm0C-3qk8A:
undetectable		 6dm0B-3qk8A:
14.71
6dm0C-3qk8A:
14.71
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 3qk8 ENOYL-COA HYDRATASE
ECHA15
(Mycobacterium
marinum) 		5 / 11 VAL A 129
SER A 186
THR A 187
VAL A  57
LEU A  58
 None
None
EDO  A 297 (-4.0A)
None
None
 1.34A 6dryA-3qk8A:
1.6		 6dryA-3qk8A:
20.05