SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qjj'

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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 8 TYR A 215
GLY A 211
ARG A 214
VAL A 161
 None
 1.17A 1gsfA-2qjjA:
undetectable		 1gsfA-2qjjA:
20.49
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 8 TYR A 215
GLY A 211
ARG A 214
VAL A 161
 None
 1.16A 1gsfB-2qjjA:
undetectable		 1gsfB-2qjjA:
20.49
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 8 TYR A 215
GLY A 211
ARG A 214
VAL A 161
 None
 1.17A 1gsfD-2qjjA:
undetectable		 1gsfD-2qjjA:
20.49
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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 TRP A 402
VAL A 391
PRO A 390
 None
 0.82A 1rg1A-2qjjA:
1.7		 1rg1A-2qjjA:
21.32
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.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 TRP A 402
VAL A 391
PRO A 390
 None
 0.81A 1rh0A-2qjjA:
1.7		 1rh0A-2qjjA:
21.32
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.
2BXM_A_IMNA2002_1
(SERUM ALBUMIN)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 11 ARG A 308
ILE A 117
ARG A 114
PHE A 357
GLY A 360
 None
 1.34A 2bxmA-2qjjA:
undetectable		 2bxmA-2qjjA:
21.05
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.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 371
MET A  91
GLY A 291
LEU A 292
LEU A 295
 None
 1.07A 2hw2A-2qjjA:
undetectable		 2hw2A-2qjjA:
17.59
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 8 ILE A 282
ILE A 279
ILE A 298
ASN A 276
ALA A 246
 None
 1.27A 2nniA-2qjjA:
undetectable		 2nniA-2qjjA:
20.93
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 11 GLY A 291
GLY A 288
THR A 266
GLU A  64
ALA A  88
 None
 1.06A 3g89B-2qjjA:
undetectable		 3g89B-2qjjA:
20.29
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)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 PRO A 333
PHE A 328
ALA A 299
 None
 0.56A 3itaD-2qjjA:
undetectable		 3itaD-2qjjA:
21.31
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 12 ARG A 147
GLU A 339
ARG A 283
ALA A 171
GLU A 169
 None
 1.47A 3k39O-2qjjA:
undetectable		 3k39O-2qjjA:
21.59
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 11 ILE A   9
ASP A  33
GLY A  32
ALA A  88
VAL A  51
 None
 1.18A 3rukD-2qjjA:
undetectable		 3rukD-2qjjA:
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.
3VYW_A_SAMA501_0
(MNMC2)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 369
GLY A 371
GLU A 366
ALA A 101
LEU A 108
 None
 0.98A 3vywA-2qjjA:
2.0		 3vywA-2qjjA:
23.44
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 VAL A 391
TRP A 181
TRP A 400
 None
 1.24A 3zq8A-2qjjA:
undetectable
3zq8B-2qjjA:
undetectable		 3zq8A-2qjjA:
3.73
3zq8B-2qjjA:
3.73
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 HIS A 343
GLU A 169
ASN A  37
 None
 0.98A 4bupB-2qjjA:
0.9		 4bupB-2qjjA:
18.67
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		5 / 12 ILE A 263
GLY A 288
ALA A 289
ALA A 270
ILE A 282
 None
 0.92A 4nkxB-2qjjA:
undetectable		 4nkxB-2qjjA:
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.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 LEU A 273
LEU A 295
ASN A 265
 None
 0.76A 4otwA-2qjjA:
undetectable		 4otwA-2qjjA:
22.09
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 6 ARG A  15
ARG A  84
VAL A 320
ASP A  33
 None
 1.38A 4xqeB-2qjjA:
undetectable		 4xqeB-2qjjA:
24.02
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 8 GLY A 288
ALA A 289
GLY A 291
MET A  91
 None
 0.66A 4zjzA-2qjjA:
undetectable		 4zjzA-2qjjA:
22.57
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 7 PHE A 233
ALA A 259
PRO A 257
LEU A 235
 None
 1.11A 5dzkD-2qjjA:
undetectable
5dzkR-2qjjA:
undetectable		 5dzkD-2qjjA:
20.40
5dzkR-2qjjA:
1.83
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 HIS A 343
GLU A 169
ASN A  37
 None
 0.97A 5wbvA-2qjjA:
undetectable		 5wbvA-2qjjA:
18.92
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)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		3 / 3 HIS A 343
GLU A 169
ASN A  37
 None
 0.98A 5wbvB-2qjjA:
undetectable		 5wbvB-2qjjA:
18.92
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_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 6 TRP A 402
LEU A 317
ASP A 237
GLU A 262
 None
None
MG  A1001 ( 4.6A)
MG  A1001 (-2.5A)
 1.45A 6djzC-2qjjA:
undetectable		 6djzC-2qjjA:
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
(Novosphingobium
aromaticivorans) 		4 / 7 GLY A 164
GLY A 121
TYR A 138
ASN A 124
 None
 0.80A 6nm4A-2qjjA:
undetectable		 6nm4A-2qjjA:
21.19