SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xky'

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.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		3 / 3 THR A 142
PRO A 139
THR A 140
 None
 0.93A 1dscC-4xkyA:
undetectable		 1dscC-4xkyA:
3.48
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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		4 / 8 GLU A 193
LEU A 262
ALA A 265
LEU A 266
 None
 0.63A 1hwiB-4xkyA:
undetectable		 1hwiB-4xkyA:
23.54
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.
1HWI_D_115D3_1
(HMG-COA REDUCTASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		4 / 8 GLU A 193
LEU A 262
ALA A 265
LEU A 266
 None
 0.64A 1hwiC-4xkyA:
undetectable		 1hwiC-4xkyA:
23.54
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.
2HS2_A_017A201_1
(PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.84A 2hs2A-4xkyA:
undetectable		 2hs2A-4xkyA:
15.67
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.
2IEO_A_017A402_1
(PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.87A 2ieoA-4xkyA:
undetectable		 2ieoA-4xkyA:
16.00
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.
2NNK_A_ROCA401_1
(PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.81A 2nnkA-4xkyA:
undetectable		 2nnkA-4xkyA:
16.00
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.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 GLN A 243
ALA A 294
LYS A 240
GLY A 211
LEU A 298
 None
 0.97A 2nv4A-4xkyA:
undetectable		 2nv4A-4xkyA:
18.81
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.77A 2pymA-4xkyA:
undetectable		 2pymA-4xkyA:
15.00
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.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 9 ALA A 204
PHE A 173
SER A   6
VAL A 104
ILE A   9
 None
 1.00A 3claA-4xkyA:
undetectable		 3claA-4xkyA:
23.03
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.
3EKT_B_017B200_1
(PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.90A 3ektA-4xkyA:
undetectable		 3ektA-4xkyA:
14.90
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.
3GGU_B_017B201_2
(PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.88A 3gguB-4xkyA:
undetectable		 3gguB-4xkyA:
17.45
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A   5
VAL A 208
GLY A 207
PHE A  43
LEU A  77
 None
 1.33A 3medA-4xkyA:
undetectable
3medB-4xkyA:
undetectable		 3medA-4xkyA:
20.04
3medB-4xkyA:
20.58
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 MET A 188
THR A  47
ILE A 151
ALA A 147
ALA A 112
 None
 1.09A 3nxuB-4xkyA:
undetectable		 3nxuB-4xkyA:
20.68
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.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 135
MET A 188
ASP A 185
 None
 0.86A 3v5wA-4xkyA:
undetectable		 3v5wA-4xkyA:
17.66
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.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 11 ALA A 204
PHE A 173
SER A   6
VAL A 104
ILE A   9
 None
 1.03A 4claA-4xkyA:
undetectable		 4claA-4xkyA:
22.70
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 10 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.98A 4dqbB-4xkyA:
undetectable		 4dqbB-4xkyA:
15.67
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A  94
GLY A  99
ALA A 100
ASP A 101
ILE A  69
 None
None
None
MHO  A   1 ( 3.2A)
None
 0.94A 4dqcB-4xkyA:
undetectable		 4dqcB-4xkyA:
15.33
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		4 / 8 LYS A   2
SER A 187
PHE A 134
ASP A 101
 MHO  A   1 ( 3.0A)
None
None
MHO  A   1 ( 3.2A)
 1.21A 4ndnA-4xkyA:
undetectable		 4ndnA-4xkyA:
23.17
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.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  34
HIS A  33
VAL A  39
ILE A   8
LEU A 262
 None
 1.33A 4yvpB-4xkyA:
3.0		 4yvpB-4xkyA:
21.05
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.
5C6P_A_4YHA601_1
(PROTEIN C)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		4 / 6 ALA A 106
GLN A  52
SER A  51
ASP A  82
 None
 0.95A 5c6pA-4xkyA:
undetectable		 5c6pA-4xkyA:
21.54
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.
5I1N_G_DVAG9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 294
ASN A 297
LEU A 298
 None
 0.33A 5i1nB-4xkyA:
undetectable		 5i1nB-4xkyA:
7.97
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.
5I1O_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 294
ASN A 297
LEU A 298
 None
 0.23A 5i1oC-4xkyA:
undetectable		 5i1oC-4xkyA:
7.97
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.
5I1P_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 294
ASN A 297
LEU A 298
 None
 0.20A 5i1pA-4xkyA:
undetectable		 5i1pA-4xkyA:
8.22
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  54
ALA A 277
LEU A 266
PHE A 280
LEU A  30
 None
 0.96A 5ljeA-4xkyA:
undetectable		 5ljeA-4xkyA:
17.61
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.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xky DIHYDRODIPICOLINATE
SYNTHASE
(Bacteroides
thetaiotaomicron) 		4 / 8 LYS A   2
SER A 187
PHE A 134
ASP A 101
 MHO  A   1 ( 3.0A)
None
None
MHO  A   1 ( 3.2A)
 1.18A 6fbnB-4xkyA:
undetectable		 6fbnB-4xkyA:
23.17