SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP3_B_AICB2001

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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		5 GLU A 402
ASN A 451
LEU A 464
GLU A 397
ARG A 419
 None
 1.41A 3kp3A-1cbgA:
undetectable
3kp3B-1cbgA:
0.0		 3kp3A-1cbgA:
15.66
3kp3B-1cbgA:
15.66
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.
1je6 MHC CLASS I
CHAIN-RELATED
PROTEIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLU A  92
LEU A 122
GLN A 161
GLU A  97
ARG A  94
 None
 1.43A 3kp3A-1je6A:
0.5
3kp3B-1je6A:
undetectable		 3kp3A-1je6A:
20.45
3kp3B-1je6A:
20.45
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 THR C 166
LEU C 139
GLN C 143
SER C 362
HIS C 135
 None
None
None
None
FE  C 775 (-3.5A)
 1.37A 3kp3A-3qgkC:
0.0
3kp3B-3qgkC:
0.0		 3kp3A-3qgkC:
15.69
3kp3B-3qgkC:
15.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		9 ASN A  20
THR A  23
LEU A  27
GLN A  31
GLU A  39
SER A  41
HIS A  42
ASN A  45
ARG A 110
 None
 0.73A 3kp3A-4ejuA:
19.2
3kp3B-4ejuA:
19.4		 3kp3A-4ejuA:
100.00
3kp3B-4ejuA:
100.00
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.
4gzu FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 GLU A 741
THR A 679
LEU A 682
GLN A 686
HIS A 925
 None
 1.46A 3kp3A-4gzuA:
0.1
3kp3B-4gzuA:
0.0		 3kp3A-4gzuA:
14.89
3kp3B-4gzuA:
14.89
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 276
GLN A 218
GLU A 220
ASN A 223
ARG A 385
 None
 1.30A 3kp3A-5jp0A:
0.0
3kp3B-5jp0A:
0.0		 3kp3A-5jp0A:
12.03
3kp3B-5jp0A:
12.03
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		5 GLU A 135
THR A 241
LEU A 261
GLN A 258
HIS A 303
 None
 1.16A 3kp3A-5l8vA:
0.0
3kp3B-5l8vA:
0.0		 3kp3A-5l8vA:
20.89
3kp3B-5l8vA:
20.89
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		5 ASN A 191
LEU A 238
GLU A 230
SER A  83
ASN A  86
 None
HEM  A 501 (-4.4A)
None
None
None
 1.42A 3kp3A-5l94A:
1.2
3kp3B-5l94A:
1.3		 3kp3A-5l94A:
17.09
3kp3B-5l94A:
17.09
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.
6e2q -

(-) 		no annotation 5 GLU A 311
ASN A 293
THR A 291
GLU A 259
SER A 263
 None
 1.47A 3kp3A-6e2qA:
0.2
3kp3B-6e2qA:
0.4		 3kp3A-6e2qA:
undetectable
3kp3B-6e2qA:
undetectable