SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ne4'

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.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 8 PHE A 249
ILE A  24
PRO A 226
LEU A  21
 None
 0.95A 1hmyA-4ne4A:
undetectable		 1hmyA-4ne4A:
21.61
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.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.08A 1p6kB-4ne4A:
undetectable		 1p6kB-4ne4A:
21.71
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.
1RS6_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.05A 1rs6B-4ne4A:
undetectable		 1rs6B-4ne4A:
21.71
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.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 6 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.07A 1rs7B-4ne4A:
undetectable		 1rs7B-4ne4A:
21.71
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.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.11A 1zzqB-4ne4A:
undetectable		 1zzqB-4ne4A:
21.71
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.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 205
GLN A 258
VAL A 199
SER A 209
 None
 1.39A 1zzqB-4ne4A:
undetectable		 1zzqB-4ne4A:
21.71
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.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.16A 1zzuA-4ne4A:
undetectable		 1zzuA-4ne4A:
21.71
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.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.07A 1zzuB-4ne4A:
undetectable		 1zzuB-4ne4A:
21.71
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.
2F16_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 10 ALA A 197
ALA A 194
ALA A 144
VAL A 199
GLY A 210
 None
 0.91A 2f16K-4ne4A:
undetectable
2f16L-4ne4A:
undetectable		 2f16K-4ne4A:
21.77
2f16L-4ne4A:
24.05
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.
2F16_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 10 ALA A 197
ALA A 194
ALA A 144
VAL A 199
GLY A 210
 None
 0.90A 2f16Y-4ne4A:
undetectable
2f16Z-4ne4A:
undetectable		 2f16Y-4ne4A:
21.77
2f16Z-4ne4A:
24.05
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 11 GLY A  85
ASP A 216
ASN A 108
THR A  64
GLY A  65
 None
 1.20A 2hmaA-4ne4A:
undetectable		 2hmaA-4ne4A:
21.67
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.
3HRD_B_NIOB5661_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 8 ILE A  24
THR A 256
LEU A 260
ALA A 107
 None
None
None
CL  A 302 ( 4.6A)
 0.67A 3hrdA-4ne4A:
undetectable
3hrdB-4ne4A:
undetectable		 3hrdA-4ne4A:
22.38
3hrdB-4ne4A:
24.03
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.
3HZN_D_ACTD229_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 4 ASP A  81
GLY A  85
LYS A  84
GLU A  88
 None
 1.40A 3hznD-4ne4A:
undetectable		 3hznD-4ne4A:
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 9 LEU A 211
LEU A 143
ILE A 113
ALA A 112
THR A 183
 None
 1.10A 3mdvA-4ne4A:
undetectable		 3mdvA-4ne4A:
20.94
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.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 12 ALA A 197
ALA A 194
ALA A 144
VAL A 199
GLY A 210
 None
 0.88A 3mg0Y-4ne4A:
undetectable
3mg0Z-4ne4A:
undetectable		 3mg0Y-4ne4A:
21.77
3mg0Z-4ne4A:
24.05
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 12 PHE A 165
LEU A 172
ALA A 197
ALA A 120
GLY A 139
 None
 1.03A 3nxuA-4ne4A:
undetectable		 3nxuA-4ne4A:
19.18
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.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 7 ARG A 231
GLY A  22
ILE A  25
VAL A  48
 None
 0.77A 3ufnB-4ne4A:
undetectable		 3ufnB-4ne4A:
17.25
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.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 9 ALA A 271
ALA A  27
ILE A  25
GLY A  22
ILE A  24
 None
 1.03A 4eatB-4ne4A:
3.4		 4eatB-4ne4A:
23.28
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 11 ASN A 195
VAL A 141
GLN A 171
MET A 167
ILE A 113
 None
 1.41A 4j4vA-4ne4A:
undetectable		 4j4vA-4ne4A:
23.61
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 9 ALA A 181
THR A 180
ALA A 182
GLY A 204
GLY A 205
 None
 1.11A 4qwuK-4ne4A:
undetectable
4qwuL-4ne4A:
undetectable		 4qwuK-4ne4A:
21.77
4qwuL-4ne4A:
24.05
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		5 / 12 LEU A  29
VAL A  10
ILE A  24
ILE A  25
VAL A 248
 None
 1.02A 4xdrA-4ne4A:
undetectable		 4xdrA-4ne4A:
23.45
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		3 / 3 GLY A 138
GLY A 139
GLN A 171
 None
 0.45A 5imsA-4ne4A:
undetectable		 5imsA-4ne4A:
19.04
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.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 5 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.12A 5vunA-4ne4A:
undetectable		 5vunA-4ne4A:
21.71
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		3 / 3 VAL A 100
TYR A  94
GLU A 242
 None
 0.83A 5zmqD-4ne4A:
undetectable
5zmqE-4ne4A:
undetectable		 5zmqD-4ne4A:
22.65
5zmqE-4ne4A:
13.36
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)
(Agrobacterium
fabrum) 		4 / 6 VAL A 234
ASN A 240
PRO A 239
ILE A 241
 None
 1.23A 6h7uA-4ne4A:
undetectable		 6h7uA-4ne4A:
20.49