SIMILAR PATTERNS OF AMINO ACIDS FOR 2BNN_A_FCNA1199

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.
1o4t PUTATIVE OXALATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF07883
(Cupin_2) 		5 LEU A  46
HIS A  63
GLU A  68
HIS A 102
ALA A 116
 None
MN  A 300 ( 3.2A)
MN  A 300 ( 2.7A)
MN  A 300 ( 3.4A)
OXL  A 400 ( 4.5A)
 1.33A 2bnnA-1o4tA:
12.2
2bnnB-1o4tA:
11.9		 2bnnA-1o4tA:
21.50
2bnnB-1o4tA:
21.50
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.
2gu2 ASPA PROTEIN

(Rattus
norvegicus) 		PF04952
(AstE_AspA) 		5 TYR A 287
ASN A  69
HIS A  20
GLU A  23
HIS A 115
 None
None
ZN  A 601 (-3.3A)
ZN  A 601 (-2.0A)
ZN  A 601 (-3.4A)
 1.42A 2bnnA-2gu2A:
0.0
2bnnB-2gu2A:
undetectable		 2bnnA-2gu2A:
20.81
2bnnB-2gu2A:
20.81
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.
3gbf PHPD

(Streptomyces
viridochromogenes) 		no annotation 5 ARG A  90
TYR A  98
ASN A 126
HIS A 129
HIS A 182
 2HE  A 550 (-3.8A)
2HE  A 550 (-4.4A)
2HE  A 550 (-3.8A)
CD  A 513 ( 3.5A)
CD  A 513 ( 3.5A)
 0.78A 2bnnA-3gbfA:
12.4
2bnnB-3gbfA:
11.1		 2bnnA-3gbfA:
18.59
2bnnB-3gbfA:
18.59
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		5 ARG A 227
LEU A 216
ASN A 226
GLU A 169
HIS A 259
 UNL  A 378 ( 2.8A)
None
UNL  A 378 ( 4.4A)
CA  A 377 (-2.1A)
CA  A 377 (-3.2A)
 1.48A 2bnnA-3l2nA:
2.0
2bnnB-3l2nA:
0.8		 2bnnA-3l2nA:
21.43
2bnnB-3l2nA:
21.43
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.
3mcw PUTATIVE HYDROLASE

(Chromobacterium
violaceum) 		PF00857
(Isochorismatase) 		5 LEU A 142
ASN A  32
HIS A 166
GLU A 144
HIS A  33
 None
 1.50A 2bnnA-3mcwA:
0.4
2bnnB-3mcwA:
0.0		 2bnnA-3mcwA:
25.23
2bnnB-3mcwA:
25.23
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.
3nfz ASPARTOACYLASE-2

(Mus musculus) 		PF04952
(AstE_AspA) 		5 TYR A 287
ASN A  70
HIS A  21
GLU A  24
HIS A 116
 3NF  A 322 (-4.4A)
3NF  A 322 (-3.9A)
ZN  A 319 ( 3.4A)
ZN  A 319 ( 2.1A)
ZN  A 319 (-3.4A)
 1.41A 2bnnA-3nfzA:
undetectable
2bnnB-3nfzA:
0.0		 2bnnA-3nfzA:
23.31
2bnnB-3nfzA:
23.31
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.
3vyl L-RIBULOSE
3-EPIMERASE

(Mesorhizobium
loti) 		PF01261
(AP_endonuc_2) 		5 LEU A  34
HIS A 206
GLU A  36
HIS A 178
ALA A  62
 None
MN  A1001 (-3.2A)
None
None
None
 1.18A 2bnnA-3vylA:
undetectable
2bnnB-3vylA:
undetectable		 2bnnA-3vylA:
23.51
2bnnB-3vylA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j1x EPOXIDASE

(Streptomyces
wedmorensis) 		PF01381
(HTH_3)
PF07883
(Cupin_2) 		8 ARG A  97
TYR A 105
LEU A 120
ASN A 135
HIS A 138
GLU A 142
HIS A 180
ALA A 195
 1JJ  A 202 (-3.2A)
1JJ  A 202 (-4.9A)
None
1JJ  A 202 (-3.7A)
FE2  A 201 ( 3.3A)
1JJ  A 202 ( 2.5A)
FE2  A 201 ( 3.4A)
1JJ  A 202 ( 4.4A)
 0.39A 2bnnA-4j1xA:
25.5
2bnnB-4j1xA:
24.1		 2bnnA-4j1xA:
100.00
2bnnB-4j1xA:
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.
4tnu ASPARTOACYLASE

(Homo sapiens) 		PF04952
(AstE_AspA) 		5 TYR A 288
ASN A  70
HIS A  21
GLU A  24
HIS A 116
 AS9  A 402 (-4.5A)
AS9  A 402 (-4.0A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 2.1A)
ZN  A 401 ( 3.4A)
 1.36A 2bnnA-4tnuA:
0.0
2bnnB-4tnuA:
undetectable		 2bnnA-4tnuA:
23.73
2bnnB-4tnuA:
23.73
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ARG A 501
TYR A  53
ASN A 503
HIS A 505
ALA A  96
 LGC  A 602 ( 2.8A)
LGC  A 602 ( 4.5A)
LGC  A 602 (-3.4A)
LGC  A 602 (-3.7A)
FAD  A 601 (-4.6A)
 0.99A 2bnnA-4ynuA:
undetectable
2bnnB-4ynuA:
undetectable		 2bnnA-4ynuA:
19.13
2bnnB-4ynuA:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u5d (S)-2-HYDROXYPROPYLP
HOSPHONIC ACID
EPOXIDASE

(Pseudomonas
syringae) 		PF07883
(Cupin_2) 		8 ARG A  87
TYR A  95
LEU A 110
ASN A 125
HIS A 128
GLU A 132
HIS A 171
ALA A 186
 TB6  A 302 (-3.0A)
TB6  A 302 (-4.3A)
None
TB6  A 302 (-3.9A)
MN  A 301 ( 3.5A)
MN  A 301 ( 2.5A)
MN  A 301 ( 3.6A)
TB6  A 302 ( 3.8A)
 0.42A 2bnnA-5u5dA:
19.1
2bnnB-5u5dA:
17.6		 2bnnA-5u5dA:
30.35
2bnnB-5u5dA:
30.35
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.
5viq MONOMERIC
NEAR-INFRARED
FLUORESCENT PROTEIN
MIRFP709

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 ARG A 248
TYR A 210
LEU A 280
HIS A 254
ALA A 268
 BLA  A 401 (-3.0A)
BLA  A 401 (-4.0A)
BLA  A 401 ( 4.8A)
BLA  A 401 (-3.8A)
BLA  A 401 (-3.3A)
 1.31A 2bnnA-5viqA:
undetectable
2bnnB-5viqA:
undetectable		 2bnnA-5viqA:
22.02
2bnnB-5viqA:
22.02
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.
6b9r HYDROXYETHYLPHOSPHON
ATE DIOXYGENASE

(Streptomyces
albus) 		no annotation 6 ARG A 103
TYR A 111
ASN A 146
HIS A 149
HIS A 190
ALA A 205
 2HE  A 502 (-3.1A)
2HE  A 502 (-4.4A)
2HE  A 502 (-3.7A)
FE  A 501 ( 3.4A)
FE  A 501 ( 3.3A)
2HE  A 502 ( 4.3A)
 0.47A 2bnnA-6b9rA:
14.0
2bnnB-6b9rA:
13.4		 2bnnA-6b9rA:
17.91
2bnnB-6b9rA:
17.91
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.
6b9s METHYLPHOSPHONATE
SYNTHASE

(Nitrosopumilus
maritimus) 		no annotation 6 ARG A 102
TYR A 110
ASN A 145
HIS A 148
HIS A 190
ALA A 206
 None
None
FE  A 501 ( 4.9A)
FE  A 501 (-3.7A)
FE  A 501 (-3.6A)
None
 0.48A 2bnnA-6b9sA:
12.8
2bnnB-6b9sA:
9.8		 2bnnA-6b9sA:
14.65
2bnnB-6b9sA:
14.65