SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4n2x'

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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 10 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.42A 1a52A-4n2xA:
2.4		 1a52A-4n2xA:
21.84
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.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 10 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.44A 1a52B-4n2xA:
2.3		 1a52B-4n2xA:
21.84
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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		3 / 3 GLU A 169
ILE A 168
ARG A  43
 None
 0.54A 1cd2A-4n2xA:
undetectable		 1cd2A-4n2xA:
20.45
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.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 VAL A  25
GLU A  64
ILE A  63
LEU A 123
ILE A  29
 None
 1.15A 1d1gB-4n2xA:
undetectable		 1d1gB-4n2xA:
18.15
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.
1ERE_A_ESTA600_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 9 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.47A 1ereA-4n2xA:
undetectable		 1ereA-4n2xA:
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.
1ERE_B_ESTB600_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 9 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.49A 1ereB-4n2xA:
undetectable		 1ereB-4n2xA:
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.
1ERE_C_ESTC600_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 9 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.48A 1ereC-4n2xA:
undetectable		 1ereC-4n2xA:
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.
1ERE_D_ESTD600_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 9 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.46A 1ereD-4n2xA:
undetectable		 1ereD-4n2xA:
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 7 PRO A  89
ALA A 208
TYR A 204
SER A 289
 None
 0.82A 1k5qA-4n2xA:
undetectable
1k5qB-4n2xA:
undetectable		 1k5qA-4n2xA:
20.90
1k5qB-4n2xA:
20.72
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.
1N6A_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 10 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.14A 1n6aA-4n2xA:
undetectable		 1n6aA-4n2xA:
20.89
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.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.12A 1n6cA-4n2xA:
undetectable		 1n6cA-4n2xA:
23.35
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 LEU A 179
ALA A 171
LEU A   7
SER A   5
 None
 1.06A 1tt6B-4n2xA:
undetectable		 1tt6B-4n2xA:
16.50
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 LEU A 179
ALA A 171
LEU A   7
SER A   5
 None
 1.05A 1tz8C-4n2xA:
undetectable
1tz8D-4n2xA:
undetectable		 1tz8C-4n2xA:
16.50
1tz8D-4n2xA:
16.50
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.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 1.01A 1v54A-4n2xA:
undetectable
1v54J-4n2xA:
undetectable		 1v54A-4n2xA:
20.46
1v54J-4n2xA:
11.99
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.
2DYS_W_CHDW101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.98A 2dysN-4n2xA:
undetectable
2dysW-4n2xA:
undetectable		 2dysN-4n2xA:
20.46
2dysW-4n2xA:
11.99
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.
2EIJ_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 1.02A 2eijA-4n2xA:
undetectable
2eijJ-4n2xA:
undetectable		 2eijA-4n2xA:
20.46
2eijJ-4n2xA:
11.99
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.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.99A 2eilA-4n2xA:
undetectable
2eilJ-4n2xA:
undetectable		 2eilA-4n2xA:
20.46
2eilJ-4n2xA:
11.99
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.
2EIM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.98A 2eimJ-4n2xA:
undetectable		 2eimJ-4n2xA:
11.99
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.
2EIM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.99A 2eimW-4n2xA:
undetectable		 2eimW-4n2xA:
11.99
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.98A 2einN-4n2xA:
1.6
2einW-4n2xA:
undetectable		 2einN-4n2xA:
20.46
2einW-4n2xA:
11.99
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.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 ILE A 282
VAL A 216
LEU A 213
PHE A 186
ALA A 226
 None
 1.49A 2jj8C-4n2xA:
undetectable		 2jj8C-4n2xA:
21.00
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.
2ZB7_A_NCAA901_0
(PROSTAGLANDIN
REDUCTASE 2)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ILE A  52
MET A 251
LEU A 267
LEU A 263
 None
 1.07A 2zb7A-4n2xA:
undetectable		 2zb7A-4n2xA:
23.87
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.
3AG2_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 1.01A 3ag2J-4n2xA:
undetectable		 3ag2J-4n2xA:
11.99
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.
3ARR_A_PNXA607_1
(CHITINASE A)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 7 SER A 159
THR A 108
LEU A 112
TRP A 201
 None
 1.14A 3arrA-4n2xA:
undetectable		 3arrA-4n2xA:
22.54
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.
3PGY_A_GLYA510_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 GLU A  64
PHE A 240
ALA A  68
ASN A  62
 None
 1.09A 3pgyA-4n2xA:
undetectable
3pgyB-4n2xA:
undetectable		 3pgyA-4n2xA:
21.18
3pgyB-4n2xA:
21.18
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.
3R0L_D_ACTD127_0
(PHOSPHOLIPASE A2 CB)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 PHE A 273
ILE A 277
GLY A  41
HIS A 189
 None
 1.29A 3r0lD-4n2xA:
undetectable		 3r0lD-4n2xA:
17.00
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.
3WG7_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.85A 3wg7N-4n2xA:
undetectable
3wg7W-4n2xA:
undetectable		 3wg7N-4n2xA:
20.46
3wg7W-4n2xA:
11.99
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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.14A 4e47A-4n2xA:
undetectable		 4e47A-4n2xA:
21.10
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.
4E47_B_SAMB800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.12A 4e47B-4n2xA:
undetectable		 4e47B-4n2xA:
21.10
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.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.13A 4e47C-4n2xA:
undetectable		 4e47C-4n2xA:
21.10
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 10 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.19A 4e47D-4n2xA:
undetectable		 4e47D-4n2xA:
21.10
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.
4EJW_A_SRYA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 ASN A 114
THR A 278
LEU A 121
ALA A  72
GLU A  69
 None
 1.41A 4ejwA-4n2xA:
undetectable		 4ejwA-4n2xA:
18.15
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 ILE A 152
ALA A 233
ALA A 126
VAL A 237
GLY A  71
 None
 0.91A 4hfpD-4n2xA:
undetectable		 4hfpD-4n2xA:
24.24
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.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.15A 4j83A-4n2xA:
undetectable		 4j83A-4n2xA:
21.20
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.15A 4jdsA-4n2xA:
undetectable		 4jdsA-4n2xA:
21.10
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.
4JDS_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.14A 4jdsB-4n2xA:
undetectable		 4jdsB-4n2xA:
21.10
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.
4JDS_C_SAMC401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.15A 4jdsC-4n2xA:
undetectable		 4jdsC-4n2xA:
21.10
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.14A 4jdsD-4n2xA:
undetectable		 4jdsD-4n2xA:
21.10
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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.15A 4jlgA-4n2xA:
undetectable		 4jlgA-4n2xA:
21.10
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.15A 4jlgB-4n2xA:
undetectable		 4jlgB-4n2xA:
21.10
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.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		3 / 3 ASP A 194
TYR A 195
TRP A  37
 None
 1.36A 4p7nA-4n2xA:
undetectable		 4p7nA-4n2xA:
23.75
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		3 / 3 THR A 278
ASN A 128
PHE A 268
 None
 0.81A 4pd9A-4n2xA:
undetectable		 4pd9A-4n2xA:
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.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 LEU A 179
ALA A 171
LEU A   7
SER A   5
 None
 1.02A 4pwjA-4n2xA:
undetectable		 4pwjA-4n2xA:
20.72
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 TYR A 120
ASN A 117
LEU A 112
PHE A 163
 None
 1.20A 4twdI-4n2xA:
undetectable
4twdJ-4n2xA:
undetectable		 4twdI-4n2xA:
20.48
4twdJ-4n2xA:
20.48
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 11 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.12A 5ayfA-4n2xA:
undetectable		 5ayfA-4n2xA:
20.39
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.
5B1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 7 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.85A 5b1bN-4n2xA:
undetectable
5b1bW-4n2xA:
undetectable		 5b1bN-4n2xA:
20.46
5b1bW-4n2xA:
11.99
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 7 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.92A 5b3sN-4n2xA:
undetectable
5b3sW-4n2xA:
undetectable		 5b3sN-4n2xA:
20.46
5b3sW-4n2xA:
11.99
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.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 LEU A 179
ALA A 171
LEU A   7
SER A   5
 None
 1.05A 5bojA-4n2xA:
undetectable		 5bojA-4n2xA:
16.50
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.
5JI0_D_BRLD501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 GLN A  12
HIS A  16
LEU A  22
HIS A  15
LEU A 165
 None
None
None
GOL  A 401 (-4.6A)
None
 1.34A 5ji0D-4n2xA:
undetectable		 5ji0D-4n2xA:
22.71
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 9 ALA A 126
ILE A  29
ILE A  42
ILE A  52
ALA A 244
 None
 0.88A 5nunA-4n2xA:
undetectable		 5nunA-4n2xA:
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.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.89A 5w97J-4n2xA:
undetectable		 5w97J-4n2xA:
11.99
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.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 1.06A 5wauJ-4n2xA:
undetectable		 5wauJ-4n2xA:
11.99
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.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 7 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.74A 5xdqA-4n2xA:
undetectable
5xdqJ-4n2xA:
undetectable		 5xdqA-4n2xA:
20.46
5xdqJ-4n2xA:
11.99
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.
5Z86_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.88A 5z86J-4n2xA:
undetectable		 5z86J-4n2xA:
11.99
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.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.94A 5z86N-4n2xA:
1.8
5z86W-4n2xA:
undetectable		 5z86N-4n2xA:
20.46
5z86W-4n2xA:
11.99
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.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.95A 5zcoN-4n2xA:
undetectable
5zcoW-4n2xA:
undetectable		 5zcoN-4n2xA:
20.46
5zcoW-4n2xA:
11.99
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.
6CBZ_B_ESTB602_1
(ESTROGEN RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 10 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.48A 6cbzB-4n2xA:
undetectable		 6cbzB-4n2xA:
15.07
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_EY4G501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 7 ILE A  42
TRP A  37
ILE A 274
THR A 278
 None
 1.01A 6cduF-4n2xA:
undetectable
6cduG-4n2xA:
1.9		 6cduF-4n2xA:
21.13
6cduG-4n2xA:
21.13
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.
6DHB_A_BEZA202_0
(HEPATITIS A VIRUS
CELLULAR RECEPTOR 2)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 6 PHE A  40
ARG A  43
ILE A 168
ASP A  14
 None
 1.12A 6dhbA-4n2xA:
undetectable		 6dhbA-4n2xA:
16.44
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.
6EW0_F_TA1F502_2
(TUBULIN BETA CHAIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 LEU A 213
LEU A 110
THR A 278
PRO A  36
 None
 1.11A 6ew0F-4n2xA:
undetectable		 6ew0F-4n2xA:
14.78
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		5 / 12 LEU A  22
ALA A  57
LEU A 255
MET A 251
ASP A  54
 None
 1.21A 6ie8A-4n2xA:
undetectable		 6ie8A-4n2xA:
24.57
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.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4n2x DL-2-HALOACID
DEHALOGENASE
(Methylobacterium
sp.
CPA1) 		4 / 5 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 1.03A 6nknW-4n2xA:
undetectable		 6nknW-4n2xA:
11.99