SIMILAR PATTERNS OF AMINO ACIDS FOR 5HQA_A_ACRA705_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
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.
2gvk HEME PEROXIDASE

(Bacteroides
thetaiotaomicron) 		PF04261
(Dyp_perox) 		5 ARG A 213
GLU A 220
GLU A 166
LYS A 242
GLU A 160
 None
 1.24A 5hqaA-2gvkA:
0.1		 5hqaA-2gvkA:
19.01
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.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		5 HIS A 149
GLU A 145
HIS A 141
GLU A  29
GLU A  62
 FE  A6205 (-3.3A)
None
None
FE  A6204 (-1.9A)
FE  A6205 ( 2.5A)
 1.39A 5hqaA-2vzbA:
undetectable		 5hqaA-2vzbA:
13.17
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ARG B 105
GLU A 214
LYS A 220
GLU B 106
GLU A 109
 None
 1.36A 5hqaA-3l7zB:
0.0		 5hqaA-3l7zB:
17.72
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 GLU A 162
VAL A 127
GLU A 131
GLU A  37
GLU A  71
 FE  A 182 ( 2.6A)
None
FE  A 181 (-2.5A)
FE  A 181 (-2.4A)
FE  A 182 ( 2.5A)
 1.10A 5hqaA-3qhbA:
0.6		 5hqaA-3qhbA:
16.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		9 GLU A 194
GLU A 391
TRP A 397
HIS A 437
LYS A 467
VAL A 471
GLU A 508
GLU A 526
GLU A 532
 NA  A 801 (-3.0A)
None
None
None
None
None
NA  A 801 (-3.8A)
NA  A 801 (-2.6A)
NA  A 801 (-2.8A)
 0.19A 5hqaA-3wfaA:
54.6		 5hqaA-3wfaA:
41.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 GLU A 526
TRP A 397
GLU A 532
GLU A 194
GLU A 508
 NA  A 801 (-2.6A)
None
NA  A 801 (-2.8A)
NA  A 801 (-3.0A)
NA  A 801 (-3.8A)
 1.40A 5hqaA-3wfaA:
54.6		 5hqaA-3wfaA:
41.26
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		5 ARG A 363
HIS A 185
VAL A 304
GLU A 299
GLU A 182
 CL  A 915 (-4.9A)
None
None
None
None
 1.37A 5hqaA-4obsA:
6.8		 5hqaA-4obsA:
21.49
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.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		5 GLU A  78
GLU A 290
LYS A  61
GLU A  75
GLU A 199
 MG  A 603 ( 2.8A)
MG  A 604 ( 2.5A)
APC  A 601 ( 3.3A)
APC  A 601 (-3.2A)
MG  A 603 ( 2.5A)
 1.22A 5hqaA-4q85A:
0.0		 5hqaA-4q85A:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		11 ARG A 171
GLU A 173
HIS A 293
GLU A 330
TRP A 336
HIS A 375
LYS A 405
VAL A 409
GLU A 456
GLU A 474
TRP A 484
 GLC  A 712 ( 2.6A)
GLC  A 712 ( 2.7A)
GLC  A 711 ( 4.0A)
GLC  A 711 (-2.7A)
None
GLC  A 711 (-4.2A)
GLC  A 711 (-2.8A)
GLC  A 712 (-4.7A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
GLC  A 713 ( 3.5A)
 0.12A 5hqaA-5hqbA:
74.2		 5hqaA-5hqbA:
99.85