SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d4v'

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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 HIS A 379
LEU A 128
GLY A 338
PHE A 348
VAL A 126
 None
 1.34A 1axwB-2d4vA:
undetectable		 1axwB-2d4vA:
19.72
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.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 7 LEU A 341
SER A 342
ASP A 343
PHE A 152
 None
 1.26A 1ismB-2d4vA:
undetectable		 1ismB-2d4vA:
20.98
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.
1T86_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 8 THR A 314
LEU A 326
VAL A 322
VAL A 293
 None
 0.86A 1t86A-2d4vA:
undetectable		 1t86A-2d4vA:
23.25
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.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 7 THR A 213
LEU A 341
VAL A 126
VAL A 150
 None
 0.99A 2cppA-2d4vA:
undetectable		 2cppA-2d4vA:
22.96
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.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 7 THR A 314
LEU A 326
VAL A 322
VAL A 293
 None
 0.94A 2cppA-2d4vA:
undetectable		 2cppA-2d4vA:
22.96
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 6 ASP A 324
VAL A 131
ARG A 129
ILE A 151
 None
None
FLC  A3001 (-3.4A)
None
 1.13A 2yfbB-2d4vA:
undetectable		 2yfbB-2d4vA:
21.17
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 ILE A  32
ASN A 155
ILE A  92
ALA A  91
LEU A  84
 None
 1.18A 3a50A-2d4vA:
undetectable		 3a50A-2d4vA:
23.76
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.38A 3bexC-2d4vA:
undetectable
3bexD-2d4vA:
undetectable		 3bexC-2d4vA:
20.61
3bexD-2d4vA:
20.61
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 10 THR A  88
ASN A 115
GLY A  71
ASP A  35
ILE A  32
 None
NAD  A2001 ( 2.8A)
None
None
None
 1.37A 3bexC-2d4vA:
undetectable
3bexD-2d4vA:
undetectable		 3bexC-2d4vA:
20.61
3bexD-2d4vA:
20.61
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 10 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.39A 3bexE-2d4vA:
undetectable
3bexF-2d4vA:
undetectable		 3bexE-2d4vA:
20.61
3bexF-2d4vA:
20.61
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 THR A  88
ASN A 115
GLY A  71
ASP A  35
ILE A  32
 None
NAD  A2001 ( 2.8A)
None
None
None
 1.40A 3bexE-2d4vA:
undetectable
3bexF-2d4vA:
undetectable		 3bexE-2d4vA:
20.61
3bexF-2d4vA:
20.61
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.38A 3bf1A-2d4vA:
undetectable
3bf1B-2d4vA:
undetectable		 3bf1A-2d4vA:
20.61
3bf1B-2d4vA:
20.61
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.38A 3bf1C-2d4vA:
undetectable
3bf1D-2d4vA:
undetectable		 3bf1C-2d4vA:
20.61
3bf1D-2d4vA:
20.61
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 THR A  88
ASN A 115
GLY A  71
ASP A  35
ILE A  32
 None
NAD  A2001 ( 2.8A)
None
None
None
 1.37A 3bf1C-2d4vA:
undetectable
3bf1D-2d4vA:
undetectable		 3bf1C-2d4vA:
20.61
3bf1D-2d4vA:
20.61
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.38A 3bf1E-2d4vA:
undetectable
3bf1F-2d4vA:
undetectable		 3bf1E-2d4vA:
20.61
3bf1F-2d4vA:
20.61
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 THR A  88
ASN A 115
GLY A  71
ASP A  35
ILE A  32
 None
NAD  A2001 ( 2.8A)
None
None
None
 1.38A 3bf1E-2d4vA:
undetectable
3bf1F-2d4vA:
undetectable		 3bf1E-2d4vA:
20.61
3bf1F-2d4vA:
20.61
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 GLY A  38
ALA A 350
PRO A  43
ALA A  44
ALA A 355
 None
None
None
None
NAD  A2001 (-3.6A)
 1.10A 3jb1A-2d4vA:
2.1		 3jb1A-2d4vA:
17.93
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.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 GLY A  38
ALA A 350
PRO A  43
ALA A  44
ALA A 355
 None
None
None
None
NAD  A2001 (-3.6A)
 0.92A 3jb2A-2d4vA:
undetectable		 3jb2A-2d4vA:
17.93
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.
3JB3_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 GLY A  38
ALA A 350
PRO A  43
ALA A  44
ALA A 355
 None
None
None
None
NAD  A2001 (-3.6A)
 0.96A 3jb3A-2d4vA:
undetectable		 3jb3A-2d4vA:
17.93
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 THR A 418
ASP A 405
GLY A 404
ALA A 415
LEU A 406
 None
NAD  A2001 (-3.7A)
None
None
None
 1.12A 3p5nA-2d4vA:
undetectable		 3p5nA-2d4vA:
17.52
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.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		3 / 3 PRO A 102
ASP A  35
GLU A  33
 NAD  A2001 (-4.2A)
None
None
 0.88A 3v4tC-2d4vA:
undetectable		 3v4tC-2d4vA:
24.43
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 7 LEU A 315
ALA A 295
ASP A 296
VAL A 322
 None
 0.99A 4eyrA-2d4vA:
undetectable		 4eyrA-2d4vA:
12.35
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 11 GLN A 387
ALA A 388
ALA A 391
ALA A 392
THR A 396
 None
 0.83A 4j6cA-2d4vA:
1.2		 4j6cA-2d4vA:
24.59
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 10 GLN A 387
ALA A 388
ALA A 391
ALA A 392
THR A 396
 None
 0.82A 4j6cB-2d4vA:
undetectable		 4j6cB-2d4vA:
24.59
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 GLN A 387
ALA A 388
ALA A 391
ALA A 392
THR A 396
 None
 0.94A 4jbtA-2d4vA:
undetectable		 4jbtA-2d4vA:
24.59
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 8 THR A 213
LEU A 341
VAL A 126
VAL A 150
 None
 0.95A 4l4aA-2d4vA:
undetectable		 4l4aA-2d4vA:
23.63
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 8 THR A 314
LEU A 326
VAL A 322
VAL A 293
 None
 0.90A 4l4aA-2d4vA:
undetectable		 4l4aA-2d4vA:
23.63
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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 8 THR A 213
LEU A 341
VAL A 126
VAL A 150
 None
 0.96A 4l4dA-2d4vA:
undetectable		 4l4dA-2d4vA:
23.63
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		3 / 3 HIS A 379
VAL A 150
LEU A 128
 None
 0.74A 4m2vA-2d4vA:
undetectable		 4m2vA-2d4vA:
20.98
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.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		3 / 3 PRO A  30
MET A  66
TYR A  95
 None
 1.04A 4qa0B-2d4vA:
undetectable		 4qa0B-2d4vA:
22.25
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.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		3 / 3 PRO A  30
MET A  66
TYR A  95
 None
 1.11A 4qa0A-2d4vA:
3.1		 4qa0A-2d4vA:
22.25
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 12 LEU A  68
GLU A  67
ASP A  35
LEU A 103
GLY A  34
 None
None
None
NAD  A2001 (-4.9A)
None
 1.30A 5j7wC-2d4vA:
undetectable		 5j7wC-2d4vA:
22.39
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 7 GLN A 280
GLN A 301
TYR A 309
TRP A 260
 None
 1.16A 5vlmE-2d4vA:
2.3		 5vlmE-2d4vA:
20.73
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 7 ARG A 410
VAL A 402
PRO A 138
GLY A 136
 None
 0.99A 5x80C-2d4vA:
1.4
5x80D-2d4vA:
1.4		 5x80C-2d4vA:
17.22
5x80D-2d4vA:
17.22
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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 9 VAL A 116
VAL A 201
SER A 202
ASP A 158
 None
 0.97A 6c2mD-2d4vA:
undetectable		 6c2mD-2d4vA:
11.95
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 9 VAL A 322
VAL A 293
LEU A 326
GLN A 301
VAL A 312
 None
 0.89A 6czmA-2d4vA:
undetectable
6czmB-2d4vA:
undetectable		 6czmA-2d4vA:
24.26
6czmB-2d4vA:
24.26
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 9 VAL A 322
VAL A 293
LEU A 326
GLN A 301
VAL A 312
 None
 0.98A 6czmB-2d4vA:
undetectable
6czmC-2d4vA:
1.7		 6czmB-2d4vA:
24.26
6czmC-2d4vA:
24.26
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.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		4 / 8 GLN A 301
VAL A 322
VAL A 293
LEU A 326
 None
 0.77A 6czmD-2d4vA:
undetectable
6czmF-2d4vA:
undetectable		 6czmD-2d4vA:
24.26
6czmF-2d4vA:
24.26
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 2d4v ISOCITRATE
DEHYDROGENASE
(Acidithiobacillu
s
thiooxidans) 		5 / 10 VAL A 322
VAL A 293
LEU A 326
GLN A 301
VAL A 312
 None
 0.97A 6czmE-2d4vA:
1.9
6czmF-2d4vA:
undetectable		 6czmE-2d4vA:
24.26
6czmF-2d4vA:
24.26