SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3io1'

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.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 GLU A 413
ASP A 412
ILE A 209
ILE A 156
THR A 398
 None
 1.32A 1kijA-3io1A:
undetectable		 1kijA-3io1A:
21.89
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 7 ASP A 151
ASP A 118
ASP A 116
HIS A 208
 NA  A 501 (-2.0A)
NA  A 501 ( 4.9A)
NA  A 501 (-3.0A)
None
 1.28A 1t03A-3io1A:
3.6		 1t03A-3io1A:
19.86
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.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 11 LEU A 177
VAL A 426
ALA A 427
LEU A 428
LEU A 160
 None
 1.36A 2c12F-3io1A:
undetectable		 2c12F-3io1A:
25.50
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.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 LEU A 164
ALA A 161
PHE A 179
GLN A 180
ILE A 178
 None
 1.30A 2jjpA-3io1A:
undetectable		 2jjpA-3io1A:
21.81
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 LEU A  43
LEU A  46
GLY A  47
ALA A  51
LEU A  52
 None
 1.18A 2oz7A-3io1A:
undetectable		 2oz7A-3io1A:
17.43
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		3 / 3 LEU A   8
TYR A   7
GLN A  10
 None
 0.65A 2wekA-3io1A:
undetectable		 2wekA-3io1A:
24.03
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 5 HIS A 153
HIS A 208
ASP A 151
HIS A 150
 None
None
NA  A 501 (-2.0A)
None
 0.84A 3c0zA-3io1A:
undetectable		 3c0zA-3io1A:
20.46
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 8 HIS A 153
HIS A 208
ASP A 151
HIS A 150
 None
None
NA  A 501 (-2.0A)
None
 0.85A 3c0zB-3io1A:
undetectable		 3c0zB-3io1A:
20.46
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 6 HIS A 153
HIS A 208
ASP A 151
HIS A 150
 None
None
NA  A 501 (-2.0A)
None
 0.85A 3c0zC-3io1A:
undetectable		 3c0zC-3io1A:
20.46
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 7 THR A 229
VAL A 298
THR A 300
VAL A 276
 None
 0.55A 3em0B-3io1A:
undetectable		 3em0B-3io1A:
15.17
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		3 / 3 PRO A  84
PHE A  91
ALA A  40
 None
 0.60A 3itaD-3io1A:
undetectable		 3itaD-3io1A:
23.64
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 GLY A 188
ARG A 190
ALA A 194
ALA A 337
ILE A  57
 None
 1.07A 3jb1A-3io1A:
undetectable		 3jb1A-3io1A:
18.61
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 8 ILE A 266
ALA A 259
VAL A 298
VAL A 276
 None
 0.79A 3me6B-3io1A:
undetectable		 3me6B-3io1A:
21.34
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 6 ALA A 260
GLY A 279
LEU A 296
VAL A 298
 None
 0.89A 4dubB-3io1A:
undetectable		 4dubB-3io1A:
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 HIS A 153
ILE A 395
HIS A 208
GLU A 375
ASP A 116
 None
None
None
None
NA  A 501 (-3.0A)
 1.30A 4r88B-3io1A:
undetectable		 4r88B-3io1A:
22.62
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.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 HIS A 153
ILE A 395
HIS A 208
GLU A 375
ASP A 116
 None
None
None
None
NA  A 501 (-3.0A)
 1.31A 4r88C-3io1A:
undetectable		 4r88C-3io1A:
22.62
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.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 HIS A 153
ILE A 395
HIS A 208
GLU A 375
ASP A 116
 None
None
None
None
NA  A 501 (-3.0A)
 1.31A 4r88D-3io1A:
undetectable		 4r88D-3io1A:
22.62
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.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 HIS A 153
ILE A 395
HIS A 208
GLU A 375
ASP A 116
 None
None
None
None
NA  A 501 (-3.0A)
 1.31A 4r88E-3io1A:
undetectable		 4r88E-3io1A:
22.62
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.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 HIS A 153
ILE A 395
HIS A 208
GLU A 375
ASP A 116
 None
None
None
None
NA  A 501 (-3.0A)
 1.31A 4r88F-3io1A:
undetectable		 4r88F-3io1A:
22.62
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 THR A 228
GLY A 373
ASP A 151
ALA A 206
ALA A 377
 None
None
NA  A 501 (-2.0A)
None
None
 1.07A 4uckB-3io1A:
undetectable		 4uckB-3io1A:
21.27
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.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 GLU A 413
ASP A 412
ILE A 209
ILE A 156
THR A 398
 None
 1.28A 4uroD-3io1A:
undetectable		 4uroD-3io1A:
21.27
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.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 5 ILE A 395
ILE A 207
TYR A 393
GLU A 375
 None
 1.14A 4zzcE-3io1A:
undetectable		 4zzcE-3io1A:
19.78
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 5 ASP A 200
VAL A  56
GLY A 196
ALA A 195
 None
 1.04A 5hwaA-3io1A:
undetectable		 5hwaA-3io1A:
18.88
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 7 LEU A 158
ILE A  57
MET A 192
MET A 117
 None
 1.24A 5ljcA-3io1A:
undetectable		 5ljcA-3io1A:
13.96
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 12 PHE A 179
VAL A  39
VAL A 115
LEU A   4
ALA A 424
 None
 1.21A 6djzA-3io1A:
undetectable		 6djzA-3io1A:
19.73
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		4 / 6 MET A  63
ALA A 338
LEU A 379
ALA A 189
 None
 1.17A 6fosB-3io1A:
undetectable		 6fosB-3io1A:
9.56
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN
(Klebsiella
pneumoniae) 		5 / 11 ALA A  51
LEU A  50
VAL A  98
PHE A 179
ALA A 161
 None
 1.32A 6h1lB-3io1A:
undetectable		 6h1lB-3io1A:
20.83