SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3iie'

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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 8 LEU A   7
GLU A  77
ALA A  32
THR A   5
 None
 0.92A 1ie4B-3iieA:
undetectable
1ie4D-3iieA:
undetectable		 1ie4B-3iieA:
16.37
1ie4D-3iieA:
16.37
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 10 LEU A 111
ALA A 113
ILE A 114
ALA A 123
PHE A 135
 None
 1.20A 1xp0A-3iieA:
undetectable		 1xp0A-3iieA:
22.64
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 7 ASN A 154
ASP A 150
THR A 273
GLY A 272
 None
MG  A 501 (-2.5A)
None
None
 0.84A 2f6dA-3iieA:
undetectable		 2f6dA-3iieA:
23.09
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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 10 ILE A 149
THR A 110
ILE A 114
LEU A 146
THR A  17
 None
 1.25A 2w3aB-3iieA:
undetectable		 2w3aB-3iieA:
20.75
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		3 / 3 HIS A 153
GLU A 152
ASN A 227
 None
MG  A 501 (-2.4A)
MG  A 501 ( 4.1A)
 0.90A 4bupB-3iieA:
2.1		 4bupB-3iieA:
20.79
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 11 SER A   9
VAL A  97
LEU A   7
ALA A  89
VAL A  94
 None
 1.21A 4e0fA-3iieA:
undetectable		 4e0fA-3iieA:
21.04
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.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 7 THR A 333
LEU A 111
ASN A 124
LEU A 122
 None
 0.97A 4ib4A-3iieA:
undetectable		 4ib4A-3iieA:
21.82
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 12 ASN A 227
MET A 226
ILE A 356
ARG A 216
LEU A 347
 MG  A 501 ( 4.1A)
None
None
None
None
 1.37A 4kosA-3iieA:
undetectable		 4kosA-3iieA:
18.16
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 12 ASN A 227
MET A 226
ILE A 356
ARG A 216
LEU A 347
 MG  A 501 ( 4.1A)
None
None
None
None
 1.39A 4kovA-3iieA:
undetectable		 4kovA-3iieA:
18.16
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 11 ASN A 227
MET A 226
ILE A 356
ARG A 216
LEU A 347
 MG  A 501 ( 4.1A)
None
None
None
None
 1.37A 4koyA-3iieA:
undetectable		 4koyA-3iieA:
18.16
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 5 GLN A 329
THR A 130
HIS A 153
LEU A 238
 None
 1.38A 4lvcA-3iieA:
6.3		 4lvcA-3iieA:
22.58
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.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 5 GLN A 329
THR A 130
HIS A 153
LEU A 238
 None
 1.38A 4lvcC-3iieA:
6.3		 4lvcC-3iieA:
22.58
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 5 THR A 308
LEU A 250
THR A 224
MET A 226
 None
 1.43A 4mbsB-3iieA:
undetectable		 4mbsB-3iieA:
19.91
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 8 GLU A 371
ILE A 381
ILE A 129
LEU A 335
 None
 0.89A 4mj8A-3iieA:
undetectable		 4mj8A-3iieA:
18.52
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.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 5 GLN A 165
LEU A 160
SER A 159
ASP A 275
 None
 1.09A 4qtuD-3iieA:
4.3		 4qtuD-3iieA:
19.55
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.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 9 GLY A   8
SER A   9
ASN A  15
ILE A  13
ALA A 123
 None
 1.40A 5entC-3iieA:
undetectable		 5entC-3iieA:
21.54
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 12 ASP A  58
GLU A  59
LEU A  88
ARG A  66
LEU A  65
 None
 0.93A 5nd7B-3iieA:
4.0		 5nd7B-3iieA:
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		3 / 3 HIS A 153
GLU A 152
ASN A 227
 None
MG  A 501 (-2.4A)
MG  A 501 ( 4.1A)
 0.89A 5wbvA-3iieA:
undetectable		 5wbvA-3iieA:
21.63
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		3 / 3 HIS A 153
GLU A 152
ASN A 227
 None
MG  A 501 (-2.4A)
MG  A 501 ( 4.1A)
 0.88A 5wbvB-3iieA:
2.4		 5wbvB-3iieA:
21.63
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.
6A93_A_8NUA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		5 / 12 THR A 184
ILE A 182
LEU A 122
PHE A 239
LEU A 168
 None
 1.34A 6a93A-3iieA:
undetectable		 6a93A-3iieA:
24.74
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.
6F3N_B_ADNB505_2
(-)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 4 GLN A 329
THR A 130
HIS A 153
LEU A 238
 None
 1.33A 6f3nB-3iieA:
4.7		 6f3nB-3iieA:
21.36
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.
6GBN_A_ADNA501_2
(-)		 3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Yersinia
pseudotuberculos
is) 		4 / 5 GLN A 329
THR A 130
HIS A 153
LEU A 238
 None
 1.39A 6gbnA-3iieA:
6.7		 6gbnA-3iieA:
24.48