SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2hek'

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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 7 HIS A  88
LEU A  98
THR A  95
THR A  94
 PO4  A 501 ( 4.9A)
None
None
None
 1.03A 1am6A-2hekA:
undetectable		 1am6A-2hekA:
22.16
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		5 / 12 ILE A 154
LEU A  82
THR A 109
ILE A 113
LEU A 134
 None
 1.04A 1ddrA-2hekA:
undetectable		 1ddrA-2hekA:
18.94
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.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 5 ASP A 164
VAL A  58
SER A 160
GLN A  36
 None
None
None
GOL  A 407 ( 3.8A)
 1.39A 1n2xB-2hekA:
undetectable		 1n2xB-2hekA:
26.52
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.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 4 PRO A  89
LEU A  98
ILE A 241
ARG A 101
 None
 1.47A 3w1wA-2hekA:
undetectable		 3w1wA-2hekA:
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.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		5 / 10 HIS A  88
PHE A 246
LEU A  98
THR A  95
THR A  94
 PO4  A 501 ( 4.9A)
None
None
None
None
 1.28A 3zncA-2hekA:
undetectable		 3zncA-2hekA:
19.57
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 8 LEU A  83
LEU A  82
LEU A  56
ILE A 118
 None
 0.84A 4klaA-2hekA:
undetectable		 4klaA-2hekA:
22.52
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 7 HIS A  54
ASP A 164
SER A 212
ASP A 161
 ZN  A 602 ( 3.4A)
None
None
ZN  A 602 ( 2.5A)
 1.27A 4odjA-2hekA:
undetectable		 4odjA-2hekA:
23.59
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 8 LYS A 363
ALA A 364
LEU A 302
LEU A 286
 None
 0.86A 4po0A-2hekA:
undetectable		 4po0A-2hekA:
23.79
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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 5 GLU A 117
THR A 116
HIS A  54
LEU A  31
 None
None
ZN  A 602 ( 3.4A)
None
 1.31A 5axaA-2hekA:
undetectable		 5axaA-2hekA:
21.96
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.
5AXA_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 5 GLU A 117
THR A 116
HIS A  54
LEU A  31
 None
None
ZN  A 602 ( 3.4A)
None
 1.30A 5axaC-2hekA:
undetectable		 5axaC-2hekA:
21.96
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		4 / 6 PHE A 172
ARG A 168
GLU A  53
VAL A  13
 None
 1.39A 5h4dA-2hekA:
undetectable		 5h4dA-2hekA:
21.90
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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		3 / 3 LYS A 141
LEU A 134
ILE A 154
 None
 0.72A 5kc4A-2hekA:
undetectable		 5kc4A-2hekA:
21.43
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		3 / 3 LYS A 148
ASP A 144
ILE A 154
 None
 0.88A 5kc4E-2hekA:
undetectable		 5kc4E-2hekA:
21.43
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		3 / 3 ARG A 204
PHE A 180
LEU A 185
 None
GOL  A 406 ( 4.6A)
None
 0.72A 5veuA-2hekA:
undetectable		 5veuA-2hekA:
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.
5Y9Y_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2hek HYPOTHETICAL PROTEIN
(Aquifex
aeolicus) 		3 / 3 LYS A 347
PRO A 348
LYS A 350
 None
 1.04A 5y9yA-2hekA:
undetectable		 5y9yA-2hekA:
22.60