SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3cqy'

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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 9 THR A 242
GLY A 243
PHE A 247
ARG A 244
GLY A 170
 None
SIN  A 374 ( 3.8A)
None
None
None
 1.34A 1jhyA-3cqyA:
undetectable		 1jhyA-3cqyA:
24.38
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 12 GLY A 141
SER A 357
ALA A 356
ASN A 349
GLY A 363
 None
 0.99A 2vmyB-3cqyA:
undetectable		 2vmyB-3cqyA:
21.03
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 12 LEU A  81
ILE A  91
ALA A  93
ALA A 122
THR A 125
 None
 0.94A 3mdvB-3cqyA:
undetectable		 3mdvB-3cqyA:
22.76
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		4 / 6 LEU A 195
LEU A 271
LEU A 229
LEU A 225
 None
 0.93A 3q1eA-3cqyA:
undetectable
3q1eC-3cqyA:
undetectable		 3q1eA-3cqyA:
16.76
3q1eC-3cqyA:
16.76
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		4 / 6 LEU A 229
LEU A 225
LEU A 195
LEU A 271
 None
 0.84A 3q1eA-3cqyA:
undetectable
3q1eC-3cqyA:
undetectable		 3q1eA-3cqyA:
16.76
3q1eC-3cqyA:
16.76
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.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 12 ILE A 168
LEU A 311
LEU A 304
ILE A 174
LEU A 292
 None
 0.99A 3vrmA-3cqyA:
undetectable		 3vrmA-3cqyA:
24.89
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		4 / 8 VAL A 129
TYR A   6
ILE A 121
ILE A 127
 None
 1.00A 4afgD-3cqyA:
undetectable
4afgE-3cqyA:
undetectable		 4afgD-3cqyA:
21.52
4afgE-3cqyA:
21.52
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.
4BBO_D_ACTD1113_0
(BLR5658 PROTEIN)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		4 / 4 TRP A 199
LEU A 256
LEU A 224
THR A 270
 None
 1.13A 4bboD-3cqyA:
undetectable		 4bboD-3cqyA:
19.56
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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 9 THR A 242
GLY A 243
PHE A 247
ARG A 244
GLY A 170
 None
SIN  A 374 ( 3.8A)
None
None
None
 1.33A 4kqiA-3cqyA:
undetectable		 4kqiA-3cqyA:
24.38
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_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		4 / 5 GLN A 288
THR A 189
LEU A 308
LEU A 312
 None
 1.10A 4lvcB-3cqyA:
undetectable		 4lvcB-3cqyA:
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.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 9 ILE A 279
PHE A 234
GLY A 190
LEU A 195
LEU A 271
 None
 1.41A 4ze0A-3cqyA:
undetectable		 4ze0A-3cqyA:
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.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		4 / 6 PHE A  73
HIS A  36
LEU A  75
LEU A  72
 None
 1.08A 5dzke-3cqyA:
undetectable
5dzks-3cqyA:
undetectable		 5dzke-3cqyA:
20.60
5dzks-3cqyA:
4.35
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.
5ICX_F_SC2F1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		3 / 3 VAL A 101
GLN A  49
CYH A  52
 None
 0.81A 5icxC-3cqyA:
undetectable
5icxF-3cqyA:
undetectable		 5icxC-3cqyA:
21.04
5icxF-3cqyA:
3.51
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.
5TWJ_D_SAMD201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 11 LEU A  22
ILE A   7
GLY A   8
GLY A 332
THR A  37
 None
 0.81A 5twjD-3cqyA:
undetectable		 5twjD-3cqyA:
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.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		3 / 3 GLY A  70
THR A 120
GLU A 124
 None
 0.60A 6b58A-3cqyA:
undetectable		 6b58A-3cqyA:
23.24
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.
6GNF_A_QPSA602_2
(-)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 9 THR A 194
GLY A 170
GLY A 169
VAL A 294
CYH A 295
 None
 1.32A 6gnfA-3cqyA:
undetectable		 6gnfA-3cqyA:
23.01