SIMILAR PATTERNS OF AMINO ACIDS FOR 2QD2_B_CHDB1_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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 LEU A 250
PRO A 136
SER A 137
VAL A 228
GLY A 226
 None
 1.25A 2qd2B-1l1lA:
2.7		 2qd2B-1l1lA:
19.15
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.
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 MET A 410
LEU A 407
PRO A 422
SER A 415
GLY A 332
 None
 1.22A 2qd2B-1zkcA:
0.0		 2qd2B-1zkcA:
19.26
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.
2he4 NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF2

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 165
ARG A 195
SER A 188
VAL A 228
GLY A 229
 None
 1.27A 2qd2B-2he4A:
undetectable		 2qd2B-2he4A:
13.93
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.
2kfg EH DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF12763
(EF-hand_4) 		5 PRO A 132
SER A 134
VAL A  46
GLY A  47
TRP A  44
 None
 1.11A 2qd2B-2kfgA:
0.8		 2qd2B-2kfgA:
13.91
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.
2ywi HYPOTHETICAL
CONSERVED PROTEIN

(Geobacillus
kaustophilus) 		PF00578
(AhpC-TSA) 		5 LEU A  66
LYS A 189
PRO A 152
SER A 150
GLY A 185
 None
 1.46A 2qd2B-2ywiA:
1.1		 2qd2B-2ywiA:
18.33
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) 		8 MET A  99
LEU A 101
PRO A 266
SER A 268
VAL A 305
GLY A 306
MET A 308
TRP A 310
 CHD  A   2 (-4.0A)
CHD  A   3 ( 4.9A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   1 ( 4.9A)
CHD  A   2 ( 3.8A)
None
CHD  A   2 (-4.7A)
 0.78A 2qd2B-3aqiA:
53.8		 2qd2B-3aqiA:
99.16
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.
3c6c 3-KETO-5-AMINOHEXANO
ATE CLEAVAGE ENZYME

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		5 LEU A 266
ARG A 246
PRO A  25
SER A  23
GLY A  13
 None
NI  A 298 ( 4.1A)
None
EDO  A 302 (-2.6A)
None
 1.40A 2qd2B-3c6cA:
0.0		 2qd2B-3c6cA:
20.87
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A  46
LEU A  41
ARG A 420
SER A  97
GLY A  76
 None
 1.34A 2qd2B-3k8zA:
1.2		 2qd2B-3k8zA:
22.03
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 LEU A 193
LYS A 137
PRO A  57
VAL A  73
GLY A  70
 None
 1.41A 2qd2B-3r7tA:
1.0		 2qd2B-3r7tA:
21.21
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 LEU A 252
PRO A 372
VAL A 270
GLY A 276
TRP A 277
 HEM  A 502 ( 4.6A)
None
None
None
None
 1.35A 2qd2B-4j6cA:
undetectable		 2qd2B-4j6cA:
21.74
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.
4myd 2-SUCCINYL-6-HYDROXY
-2,4-CYCLOHEXADIENE-
1-CARBOXYLATE
SYNTHASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A  72
PRO A  48
SER A  53
VAL A  91
GLY A  88
 None
 1.38A 2qd2B-4mydA:
2.9		 2qd2B-4mydA:
20.64
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.
5d95 AMINOTRANSFERASE
CLASS-III

(Sphaerobacter
thermophilus) 		PF00202
(Aminotran_3) 		5 LEU A 118
PRO A 223
SER A 259
VAL A 273
GLY A 272
 None
 1.31A 2qd2B-5d95A:
2.2		 2qd2B-5d95A:
21.26
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.
5t87 CDII IMMUNITY
PROTEIN
CDIA TOXIN

(Cupriavidus
taiwanensis;
Cupriavidus
taiwanensis) 		no annotation
no annotation 		5 MET E 225
LEU E 221
ARG A  75
SER E 180
GLY E 213
 None
 1.41A 2qd2B-5t87E:
undetectable		 2qd2B-5t87E:
13.56
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.
5w2m DNA DC->DU-EDITING
ENZYME APOBEC-3F

(Homo sapiens) 		no annotation 5 LEU A 372
PRO A 279
SER A 278
VAL A 287
GLY A 285
 None
 1.42A 2qd2B-5w2mA:
undetectable		 2qd2B-5w2mA:
undetectable
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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 LEU A 430
PRO A 462
SER A 464
VAL A 459
GLY A 437
 None
None
None
None
EDO  A 904 ( 3.4A)
 1.42A 2qd2B-6fnwA:
undetectable		 2qd2B-6fnwA:
undetectable