SIMILAR PATTERNS OF AMINO ACIDS FOR 2QD4_A_CHDA802_0

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1iqr PHOTOLYASE

(Thermus
thermophilus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ARG A 412
ARG A 409
PRO A 396
VAL A 401
 None
 0.97A 2qd4A-1iqrA:
1.7		 2qd4A-1iqrA:
20.77
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.
1jjv DEPHOSPHO-COA KINASE

(Haemophilus
influenzae) 		PF01121
(CoaE) 		4 MET A   1
ARG A  93
PRO A  28
VAL A  30
 None
SO4  A 301 (-3.2A)
None
None
 1.46A 2qd4A-1jjvA:
2.8		 2qd4A-1jjvA:
20.88
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		4 ARG A 391
PRO A 331
VAL A 360
MET A 328
 None
 1.49A 2qd4A-1sp8A:
undetectable		 2qd4A-1sp8A:
19.59
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A  33
ARG A  32
VAL A  69
MET A  65
 None
 1.34A 2qd4A-1yqdA:
3.2		 2qd4A-1yqdA:
22.79
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.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ARG A 152
ARG A 154
PRO A  19
MET A  21
 None
 1.38A 2qd4A-2pxjA:
0.0		 2qd4A-2pxjA:
19.90
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 MET A 226
ARG A  29
ARG A 191
VAL A 307
 None
 1.25A 2qd4A-2vxyA:
3.6		 2qd4A-2vxyA:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		5 MET A  99
ARG A 114
PRO A 266
VAL A 305
MET A 308
 CHD  A   2 (-4.0A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   1 ( 4.9A)
None
 0.66A 2qd4A-3aqiA:
60.7		 2qd4A-3aqiA:
99.44
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.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 MET A 109
ARG A 343
PRO A 144
VAL A 292
 None
 1.31A 2qd4A-3eh7A:
0.0		 2qd4A-3eh7A:
21.46
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 MET A 322
ARG A 191
PRO A 293
VAL A 271
 None
PEG  A 645 ( 3.5A)
None
None
 1.45A 2qd4A-3lk6A:
2.2		 2qd4A-3lk6A:
20.48
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 MET A 116
ARG A 171
VAL A 142
MET A 122
 None
SO4  A 324 (-3.9A)
None
None
 1.29A 2qd4A-3ln3A:
undetectable		 2qd4A-3ln3A:
21.88
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		4 ARG A 217
PRO A 106
VAL A 171
MET A 107
 None
None
None
SO4  A 542 (-3.7A)
 1.44A 2qd4A-3sqlA:
3.8		 2qd4A-3sqlA:
20.78
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.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		4 MET A 314
ARG A 183
PRO A 279
MET A 299
 None
 1.44A 2qd4A-4i6fA:
undetectable		 2qd4A-4i6fA:
22.14
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.
4jmq BACTERIOPHAGE T5
DISTAL TAIL PROTEIN

(Escherichia
virus T5) 		no annotation 4 ARG A 201
PRO A   4
VAL A  81
MET A   1
 None
 1.14A 2qd4A-4jmqA:
undetectable		 2qd4A-4jmqA:
20.50
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		4 ARG A 122
ARG A 118
PRO B 111
VAL B 174
 CL  A 402 ( 4.8A)
CL  A 402 (-4.3A)
None
None
 1.40A 2qd4A-4kpuA:
2.3		 2qd4A-4kpuA:
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		4 ARG A 234
ARG A 160
VAL A 308
MET A 303
 None
 1.35A 2qd4A-4q0cA:
2.5		 2qd4A-4q0cA:
19.87
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 MET A 226
ARG A  29
ARG A 191
VAL A 307
 None
 1.13A 2qd4A-4u39A:
2.7		 2qd4A-4u39A:
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 ARG D 299
ARG D 295
PRO D 217
VAL D 244
 None
CL  D 603 (-3.2A)
None
None
 1.50A 2qd4A-5llyD:
undetectable		 2qd4A-5llyD:
21.41
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.
5mn5 CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 MET A 226
ARG A  29
ARG A 191
VAL A 307
 None
 1.29A 2qd4A-5mn5A:
3.5		 2qd4A-5mn5A:
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.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 ARG A 299
ARG A 295
PRO A 217
VAL A 244
 None
CL  A 702 (-3.0A)
None
None
 1.49A 2qd4A-6et7A:
undetectable		 2qd4A-6et7A:
undetectable