SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3aux'

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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 8 MET A 973
ALA A  29
THR A 949
LEU A 960
 None
None
MG  A1050 (-3.0A)
None
 0.97A 2wx2B-3auxA:
undetectable		 2wx2B-3auxA:
22.86
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 8 GLY A 135
ILE A 931
VAL A 923
THR A 151
 None
 0.96A 2yoeB-3auxA:
2.7
2yoeC-3auxA:
2.7		 2yoeB-3auxA:
21.11
2yoeC-3auxA:
21.11
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 MET A  10
VAL A1001
GLU A   7
 None
 0.91A 3c6gA-3auxA:
undetectable		 3c6gA-3auxA:
22.11
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.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 9 GLY A  93
ILE A  84
PHE A  46
PHE A  47
PHE A  13
 None
 1.42A 3ko0A-3auxA:
undetectable
3ko0C-3auxA:
undetectable		 3ko0A-3auxA:
13.26
3ko0C-3auxA:
13.26
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.
3KO0_N_TFPN201_1
(PROTEIN S100-A4)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 10 PHE A  47
PHE A  13
GLY A  93
ILE A  84
PHE A  46
 None
 1.37A 3ko0L-3auxA:
undetectable
3ko0N-3auxA:
undetectable		 3ko0L-3auxA:
13.26
3ko0N-3auxA:
13.26
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.
3KO0_R_TFPR201_1
(PROTEIN S100-A4)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 10 GLY A  93
ILE A  84
PHE A  46
PHE A  47
PHE A  13
 None
 1.42A 3ko0R-3auxA:
undetectable
3ko0T-3auxA:
undetectable		 3ko0R-3auxA:
13.26
3ko0T-3auxA:
13.26
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.
3NUO_B_478B478_1
(PROTEASE)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 9 ALA A 924
ILE A 963
ILE A 943
PRO A 948
ILE A 137
 None
None
None
MG  A1050 (-4.0A)
None
 1.13A 3nuoA-3auxA:
undetectable		 3nuoA-3auxA:
14.02
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 0.97A 4bupB-3auxA:
undetectable		 4bupB-3auxA:
23.42
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.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 8 ALA A 924
ASP A 946
ILE A 132
ILE A 943
 None
MG  A1007 (-3.2A)
None
None
 0.91A 4kttB-3auxA:
undetectable		 4kttB-3auxA:
22.88
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 8 THR A 949
LEU A 982
VAL A 985
ILE A 963
 MG  A1050 (-3.0A)
None
None
None
 0.91A 4l4cB-3auxA:
undetectable		 4l4cB-3auxA:
20.52
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 5 HIS A 904
VAL A 893
GLU A 894
VAL A 909
 None
 1.13A 4p6vB-3auxA:
undetectable
4p6vE-3auxA:
undetectable		 4p6vB-3auxA:
19.72
4p6vE-3auxA:
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 5 LEU A 844
GLU A 174
MET A 168
LEU A 851
 None
 1.30A 4xi3B-3auxA:
undetectable		 4xi3B-3auxA:
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 11 ASN A  80
LEU A  73
LEU A 119
ILE A 118
LEU A  49
 None
 0.93A 4zowA-3auxA:
undetectable		 4zowA-3auxA:
19.76
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.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 VAL A 909
THR A 911
ARG A 902
 None
 0.65A 5b2sB-3auxA:
undetectable		 5b2sB-3auxA:
14.42
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.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 VAL A 909
THR A 911
ARG A 902
 None
 0.68A 5b2tB-3auxA:
undetectable		 5b2tB-3auxA:
14.57
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.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 9 ALA A 924
ILE A 963
ILE A 943
PRO A 948
ILE A 137
 None
None
None
MG  A1050 (-4.0A)
None
 1.17A 5kr0A-3auxA:
undetectable		 5kr0A-3auxA:
12.94
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		5 / 10 ALA A  29
ILE A 943
ILE A 970
VAL A 967
ALA A 986
 None
 1.06A 5nukA-3auxA:
undetectable		 5nukA-3auxA:
11.05
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 1.01A 5wbvA-3auxA:
undetectable		 5wbvA-3auxA:
22.19
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 1.02A 5wbvB-3auxA:
undetectable		 5wbvB-3auxA:
22.19
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 8 ILE A  27
THR A 949
VAL A 950
GLU A 947
 None
MG  A1050 (-3.0A)
None
None
 0.95A 6fbvC-3auxA:
undetectable		 6fbvC-3auxA:
13.98
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		4 / 7 ARG A 928
ALA A 924
ILE A 931
ALA A 930
 None
 0.95A 6ma7A-3auxA:
undetectable		 6ma7A-3auxA:
13.42