SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2h1i'

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.
1HWI_B_115B1_1
(HMG-COA REDUCTASE)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		5 / 9 ASN A 104
LEU A  20
ALA A  99
LEU A  18
LEU A 112
 CL  A 302 (-3.9A)
None
None
None
None
 1.48A 1hwiA-2h1iA:
1.4		 1hwiA-2h1iA:
20.63
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		5 / 9 LEU A  79
PHE A  58
LEU A  83
LEU A  44
ALA A  99
 None
 1.23A 2bxeA-2h1iA:
undetectable		 2bxeA-2h1iA:
18.32
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.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		5 / 12 GLY A   9
ILE A 100
HIS A 126
ASP A  38
VAL A  37
 None
 0.99A 2oxtC-2h1iA:
2.1		 2oxtC-2h1iA:
21.83
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		5 / 12 THR A  76
HIS A 115
LEU A 120
ILE A  97
LEU A  72
 None
 1.41A 3gwxB-2h1iA:
undetectable		 3gwxB-2h1iA:
21.53
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		3 / 3 LEU A  31
PRO A  32
ARG A  47
 None
 0.74A 4klrB-2h1iA:
2.4		 4klrB-2h1iA:
22.75
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.
4PWD_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		4 / 8 PRO A 131
LEU A 164
VAL A 175
LEU A 125
 None
 0.95A 4pwdA-2h1iA:
undetectable		 4pwdA-2h1iA:
18.28
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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		4 / 8 LEU A 125
LEU A  20
ILE A  73
THR A  76
 None
 1.06A 5ljbA-2h1iA:
undetectable		 5ljbA-2h1iA:
19.74
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.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		5 / 10 LEU A  19
HIS A  21
ILE A 100
GLY A 101
GLY A 105
 None
 0.85A 5o96C-2h1iA:
undetectable
5o96D-2h1iA:
undetectable		 5o96C-2h1iA:
19.61
5o96D-2h1iA:
19.61
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 2h1i CARBOXYLESTERASE
(Bacillus
cereus) 		4 / 5 LEU A  33
VAL A 191
GLU A 190
LEU A 186
 None
 1.05A 5xooB-2h1iA:
undetectable		 5xooB-2h1iA:
19.91