SIMILAR PATTERNS OF AMINO ACIDS FOR 1FDT_A_ESTA350_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		9 SER A 142
VAL A 143
LEU A 149
TYR A 155
TYR A 218
HIS A 221
SER A 222
MET A 279
GLU A 282
 EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-4.4A)
EST  A 350 (-4.2A)
None
None
None
EST  A 350 (-3.7A)
EST  A 350 ( 4.6A)
 0.44A 1fdtA-1a27A:
44.1		 1fdtA-1a27A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		8 SER A 142
VAL A 143
LEU A 149
TYR A 155
TYR A 218
SER A 222
PHE A 226
MET A 279
 EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 (-4.6A)
None
None
EST  A 350 (-4.4A)
None
EST  A 350 (-3.6A)
 0.53A 1fdtA-1fdwA:
42.9		 1fdtA-1fdwA:
99.69
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.
1iqd HUMAN MONOCLONAL
BO2C11 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 110
LEU B  83
SER B  67
PHE B  64
GLU B  82
 None
 1.19A 1fdtA-1iqdB:
undetectable		 1fdtA-1iqdB:
21.38
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.
2bbu SUPPRESSOR OF
CYTOKINE SIGNALING 3

(Mus musculus) 		PF00017
(SH2) 		5 VAL A  22
LEU A  40
TYR A  18
SER A 155
GLU A  34
 None
 1.35A 1fdtA-2bbuA:
0.0		 1fdtA-2bbuA:
20.43
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.
2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT

(Homo sapiens) 		PF00878
(CIMR) 		5 SER A1600
LEU A1629
TYR A1606
TYR A1542
SER A1543
 None
 1.38A 1fdtA-2l29A:
0.0		 1fdtA-2l29A:
14.24
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 TYR A 128
GLU A 184
TYR A 211
HIS A 208
GLU A 159
 F6P  A 501 (-4.6A)
None
None
None
None
 1.45A 1fdtA-2r66A:
6.0		 1fdtA-2r66A:
21.19
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.
2w9d ICSM 18-ANTI-PRP
THERAPEUTIC FAB
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 112
LEU H  86
HIS H  84
PHE H  64
GLU H  82
 None
 1.34A 1fdtA-2w9dH:
undetectable		 1fdtA-2w9dH:
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 VAL A  26
LEU A  89
GLU A  34
HIS A  83
SER A  91
 None
 1.33A 1fdtA-2yh2A:
4.5		 1fdtA-2yh2A:
23.94
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.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		5 VAL A 232
LEU A 214
HIS A 254
PHE A 252
GLU A 258
 None
 1.32A 1fdtA-3gkaA:
2.7		 1fdtA-3gkaA:
24.07
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.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		5 VAL A 296
LEU A 347
GLU A 329
TYR A 262
GLU A 351
 None
 1.36A 1fdtA-3l2kA:
4.1		 1fdtA-3l2kA:
22.39
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.
3o7o ENDOGLUCANASE

(Thermotoga
maritima) 		PF01670
(Glyco_hydro_12) 		5 SER A  92
VAL A 256
LEU A 254
TYR A  71
SER A  84
 None
 1.31A 1fdtA-3o7oA:
undetectable		 1fdtA-3o7oA:
21.16
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A 189
HIS A 148
SER A 105
PHE A 104
GLU A 402
 None
SA0  A 507 (-4.0A)
None
None
SA0  A 507 (-2.4A)
 1.39A 1fdtA-3vilA:
undetectable		 1fdtA-3vilA:
20.82
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.
4f3l BMAL1B

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 SER B 418
TYR B 404
TYR B 374
SER B 372
PHE B 350
 None
 1.38A 1fdtA-4f3lB:
undetectable		 1fdtA-4f3lB:
19.20
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.
4gsl AUTOPHAGY-RELATED
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF03986
(Autophagy_N)
PF03987
(Autophagy_act_C)
PF10381
(Autophagy_C) 		5 SER C 225
VAL C 226
GLU C 217
SER C 230
MET C 201
 None
 1.49A 1fdtA-4gslC:
undetectable		 1fdtA-4gslC:
18.37
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		5 SER A 316
VAL A 313
TYR A 231
GLU A 166
GLU A  99
 None
 1.49A 1fdtA-4hn9A:
undetectable		 1fdtA-4hn9A:
20.99
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.
4j7m PROTEIN DOM3Z

(Mus musculus) 		PF08652
(RAI1) 		5 LEU A  67
GLU A  48
TYR A 251
SER A 218
GLU A 234
 None
None
None
None
U  B   1 ( 3.6A)
 1.48A 1fdtA-4j7mA:
undetectable		 1fdtA-4j7mA:
23.62
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.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 SER A 221
VAL A 222
SER A 262
PHE A 264
MET A 317
 None
 1.48A 1fdtA-4ovkA:
1.8		 1fdtA-4ovkA:
18.56
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.
5ik2 ATP SYNTHASE GAMMA
CHAIN

(Caldalkalibacillus
thermarum) 		PF00231
(ATP-synt) 		5 VAL G 118
LEU G 230
GLU G 148
SER G 141
GLU G 237
 None
 1.36A 1fdtA-5ik2G:
undetectable		 1fdtA-5ik2G:
22.41
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.
6db6 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 311-11D FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 VAL H 109
LEU H  82
HIS H  82
PHE H  63
GLU H  81
 None
 1.18A 1fdtA-6db6H:
undetectable		 1fdtA-6db6H:
15.05