SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZB_A_ACTA404

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.
2fez PROBABLE REGULATORY
PROTEIN EMBR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C)
PF00498
(FHA)
PF03704
(BTAD) 		4 LEU A 211
ILE A 191
ARG A 230
TYR A 215
 None
 1.31A 4zzbA-2fezA:
3.5		 4zzbA-2fezA:
22.22
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.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		4 LEU A 133
ILE A 256
ARG A 251
TYR A 134
 None
 1.44A 4zzbA-2gtxA:
0.0		 4zzbA-2gtxA:
22.38
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.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		4 LEU A 484
ILE A 694
ARG A 478
TYR A 485
 None
 1.39A 4zzbA-2r05A:
4.3		 4zzbA-2r05A:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3igq GLR4197 PROTEIN

(Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 LEU A  45
ILE A  73
ARG A  85
TYR A 102
 None
NA  A 801 ( 4.4A)
ACY  A 701 ( 3.2A)
ACY  A 701 ( 4.8A)
 0.22A 4zzbA-3igqA:
24.5		 4zzbA-3igqA:
68.23
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 LEU A 378
ILE A 382
ARG A 302
TYR A 374
 None
 1.29A 4zzbA-3juxA:
4.7		 4zzbA-3juxA:
16.55
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		4 LEU A 189
ILE A 154
ARG A 196
TYR A 188
 None
 1.39A 4zzbA-3nc3A:
0.0		 4zzbA-3nc3A:
22.98
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.
3o5y SENSOR PROTEIN

(Bacillus
halodurans) 		PF13492
(GAF_3) 		4 LEU A  33
ILE A  59
ARG A  29
TYR A  66
 None
None
ACT  A   2 (-2.8A)
ACT  A   2 (-4.6A)
 1.16A 4zzbA-3o5yA:
undetectable		 4zzbA-3o5yA:
19.09
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.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		4 LEU A 347
ILE A 334
ARG A 294
TYR A 351
 None
 1.03A 4zzbA-3odpA:
1.9		 4zzbA-3odpA:
23.65
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.
3p2a PUTATIVE
THIOREDOXIN-LIKE
PROTEIN

(Yersinia pestis) 		PF00085
(Thioredoxin) 		4 LEU A  49
ILE A  57
ARG A 101
TYR A 113
 None
 1.43A 4zzbA-3p2aA:
0.0		 4zzbA-3p2aA:
19.30
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.
4a0k DNA DAMAGE-BINDING
PROTEIN 2

(Danio rerio) 		PF00400
(WD40) 		4 LEU D 416
ILE D 364
ARG D 392
TYR D 409
 None
 1.28A 4zzbA-4a0kD:
undetectable		 4zzbA-4a0kD:
21.95
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.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 152
ILE A 220
ARG A 207
TYR A 230
 None
 1.28A 4zzbA-4emwA:
undetectable		 4zzbA-4emwA:
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 LEU A 221
ILE A 164
ARG A 204
TYR A 211
 None
 1.40A 4zzbA-4fffA:
undetectable		 4zzbA-4fffA:
23.64
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.
4tpg PROTON:OLIGOPEPTIDE
SYMPORTER POT FAMILY

(Shewanella
oneidensis) 		PF00854
(PTR2) 		4 LEU A  89
ILE A 113
ARG A  25
TYR A  93
 None
 1.02A 4zzbA-4tpgA:
2.1		 4zzbA-4tpgA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5t PROTON-GATED ION
CHANNEL,GLRA1
PROTEIN,GLRA1
PROTEIN

(Homo sapiens;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 LEU A  45
ILE A  73
ARG A  85
TYR A 102
 None
None
CL  A 502 (-4.3A)
None
 0.13A 4zzbA-4x5tA:
35.1		 4zzbA-4x5tA:
70.99
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 LEU A 216
ILE A 263
ARG A 252
TYR A 212
 None
 1.06A 4zzbA-5kodA:
undetectable		 4zzbA-5kodA:
20.23
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.
5o63 RESTRICTION
ENDONUCLEASE UBALAI

(unidentified) 		no annotation 4 LEU A  11
ILE A 110
ARG A 135
TYR A   7
 None
 1.42A 4zzbA-5o63A:
undetectable		 4zzbA-5o63A:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 4 LEU A  44
ILE A  72
ARG A  84
TYR A 101
 None
None
CL  A 504 (-4.7A)
None
 0.30A 4zzbA-5osbA:
32.9		 4zzbA-5osbA:
70.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 LEU C  45
ILE C  73
ARG C  85
TYR C 102
 None
 0.52A 4zzbA-5v6nC:
34.0		 4zzbA-5v6nC:
99.03