SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1gaj'

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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A  53
LEU A  23
LEU A 207
TYR A 224
ILE A  38
 None
 1.20A 1fmlB-1gajA:
0.1		 1fmlB-1gajA:
22.01
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 10 ALA A 134
GLN A 158
LEU A 154
LEU A 138
ARG A 149
 None
 1.37A 2ceoB-1gajA:
0.0		 2ceoB-1gajA:
21.49
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		4 / 8 ASP A 191
LEU A 188
HIS A 195
LEU A 143
 None
 1.03A 2q0iA-1gajA:
undetectable		 2q0iA-1gajA:
21.57
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		3 / 3 ARG A 166
GLU A  96
SER A 113
 None
None
PEG  A 600 ( 3.9A)
 0.95A 2xkkA-1gajA:
undetectable
2xkkC-1gajA:
undetectable		 2xkkA-1gajA:
17.13
2xkkC-1gajA:
17.13
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 ILE A  28
LEU A  23
ALA A  59
VAL A  64
ILE A  84
 None
 1.00A 3b2rA-1gajA:
undetectable		 3b2rA-1gajA:
21.32
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 PHE A  56
PHE A  88
GLY A  55
ILE A 175
MET A 169
 PEG  A 600 (-3.9A)
None
None
None
None
 1.49A 3ld6B-1gajA:
undetectable		 3ld6B-1gajA:
21.66
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.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 SER A 117
ILE A 108
TRP A 123
LEU A 104
MET A 130
 None
 1.25A 3nrrA-1gajA:
1.8		 3nrrA-1gajA:
20.19
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.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 SER A 117
ILE A 108
TRP A 123
LEU A 104
MET A 130
 None
 1.24A 3nrrB-1gajA:
1.9		 3nrrB-1gajA:
20.19
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		3 / 3 GLY A  62
ILE A  53
VAL A  52
 None
 0.52A 3nv6A-1gajA:
undetectable		 3nv6A-1gajA:
19.60
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.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 9 ILE A 175
THR A  90
ARG A 212
GLU A 210
GLY A 157
 None
None
CL  A 700 (-4.9A)
None
None
 1.46A 3nxuB-1gajA:
0.0		 3nxuB-1gajA:
20.29
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.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		3 / 3 LEU A   8
ARG A  86
ASN A  73
 None
PEG  A 600 ( 4.6A)
None
 0.73A 3qxvD-1gajA:
undetectable		 3qxvD-1gajA:
15.04
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		4 / 8 PHE A  88
VAL A  85
ILE A 175
ILE A 208
 None
 0.90A 3uqbA-1gajA:
undetectable		 3uqbA-1gajA:
22.10
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.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		4 / 7 ASP A  34
GLY A  33
VAL A  30
MET A 174
 None
 0.89A 4c5nA-1gajA:
undetectable		 4c5nA-1gajA:
21.40
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.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		4 / 8 ASP A  34
GLY A  33
VAL A  30
MET A 174
 None
 0.87A 4c5nC-1gajA:
2.2		 4c5nC-1gajA:
21.40
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.
4EIX_A_NIMA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		4 / 4 LEU A 199
ALA A 167
ILE A 164
LYS A 202
 None
 1.46A 4eixA-1gajA:
0.0		 4eixA-1gajA:
17.28
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.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 10 ASP A 178
PHE A  88
VAL A  85
ILE A 175
ILE A 208
 None
 1.40A 4nnrB-1gajA:
undetectable		 4nnrB-1gajA:
22.45
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.
4Q5M_A_ROCA1101_2
(PROTEASE)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A 165
ILE A 192
GLY A 157
ILE A 164
VAL A  99
 None
 0.92A 4q5mA-1gajA:
undetectable		 4q5mA-1gajA:
25.28
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 PHE A  66
SER A  29
TYR A 224
ASP A 221
GLY A  33
 None
 1.46A 4qb9E-1gajA:
0.7		 4qb9E-1gajA:
18.93
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A 115
GLY A 106
LEU A 103
ASN A 109
LEU A  94
 None
 1.28A 5emlA-1gajA:
undetectable		 5emlA-1gajA:
18.91
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		5 / 9 ILE A  38
ILE A 209
ILE A  50
ASN A  51
ALA A  22
 None
None
None
PEG  A 600 (-3.7A)
None
 0.93A 5nunA-1gajA:
undetectable		 5nunA-1gajA:
14.67
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.
6CDU_G_EY4G502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN
(Methanocaldococc
us
jannaschii) 		4 / 8 ILE A  84
VAL A 176
PRO A 172
THR A  36
 None
 1.01A 6cduG-1gajA:
0.0
6cduH-1gajA:
0.0		 6cduG-1gajA:
23.51
6cduH-1gajA:
23.51