SIMILAR PATTERNS OF AMINO ACIDS FOR 2PCP_C_1PCC212_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.
1bsl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		5 HIS A  45
PHE A  10
GLY A  50
TYR A  42
SER A 254
 None
 1.22A 2pcpC-1bslA:
undetectable
2pcpD-1bslA:
undetectable		 2pcpC-1bslA:
21.34
2pcpD-1bslA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nqb SINGLE-CHAIN
ANTIBODY FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		5 HIS A 151
TYR A 157
PHE A 214
GLY A 216
TYR A 221
 None
 0.41A 2pcpC-1nqbA:
22.4
2pcpD-1nqbA:
21.2		 2pcpC-1nqbA:
37.00
2pcpD-1nqbA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1svz SINGLE-CHAIN FV
FRAGMENT 1696

(Mus musculus) 		PF07686
(V-set) 		5 HIS A  31
TYR A  37
PHE A  94
GLY A  96
HIS A 162
 None
 0.58A 2pcpC-1svzA:
23.0
2pcpD-1svzA:
15.2		 2pcpC-1svzA:
54.66
2pcpD-1svzA:
50.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wt5 ANTI EGFR ANTIBODY
FV REGION

(Homo sapiens) 		PF07686
(V-set) 		6 HIS C  31
TYR C  37
PHE C  94
GLY C  96
HIS A  35
SER A  99
 None
 0.48A 2pcpC-1wt5C:
22.8
2pcpD-1wt5C:
15.3		 2pcpC-1wt5C:
48.77
2pcpD-1wt5C:
19.91
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.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 TYR A 359
PHE A 363
GLY A 357
TYR A 117
SER A 120
 None
None
None
LOP  A 503 (-3.6A)
HEM  A 501 (-4.4A)
 1.49A 2pcpC-2qjpA:
undetectable
2pcpD-2qjpA:
undetectable		 2pcpC-2qjpA:
17.82
2pcpD-2qjpA:
18.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2uud NQ10-1.12 ANTI-PHOX
ANTIBODY

(Mus musculus) 		PF07686
(V-set) 		5 HIS K  27
TYR K  32
PHE K  89
GLY K  91
TYR K  96
 None
 0.47A 2pcpC-2uudK:
22.4
2pcpD-2uudK:
14.7		 2pcpC-2uudK:
95.58
2pcpD-2uudK:
18.02
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		5 HIS A 290
TYR A 473
PHE A 415
GLY A 474
HIS A 412
 None
None
None
None
TPO  A 297 ( 4.0A)
 1.39A 2pcpC-2w8dA:
undetectable
2pcpD-2w8dA:
undetectable		 2pcpC-2w8dA:
18.81
2pcpD-2w8dA:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbd SINGLE CHAIN FV
FRAGMENT OF MAB735

(Mus musculus) 		PF07686
(V-set) 		6 HIS A  31
PHE A  94
GLY A  96
TYR A 101
HIS A 162
TYR A 160
 FLC  A2001 (-3.6A)
None
None
None
None
None
 1.11A 2pcpC-3wbdA:
22.6
2pcpD-3wbdA:
22.5		 2pcpC-3wbdA:
54.98
2pcpD-3wbdA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbd SINGLE CHAIN FV
FRAGMENT OF MAB735

(Mus musculus) 		PF07686
(V-set) 		7 HIS A  31
TYR A  37
PHE A  94
GLY A  96
TYR A 101
TYR A 160
HIS A 162
 FLC  A2001 (-3.6A)
None
None
None
None
None
None
 0.59A 2pcpC-3wbdA:
22.6
2pcpD-3wbdA:
22.5		 2pcpC-3wbdA:
54.98
2pcpD-3wbdA:
35.86
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 HIS A 260
TYR A 319
PHE A 278
GLY A 253
SER A 244
 None
 1.36A 2pcpC-3wnpA:
6.2
2pcpD-3wnpA:
6.2		 2pcpC-3wnpA:
15.88
2pcpD-3wnpA:
15.63
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.
4aq2 HOMOGENTISATE
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF04209
(HgmA) 		5 HIS A 249
GLY A 247
HIS A 202
SER A 130
TRP A 114
 None
 1.17A 2pcpC-4aq2A:
undetectable
2pcpD-4aq2A:
undetectable		 2pcpC-4aq2A:
19.09
2pcpD-4aq2A:
18.24
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.
4gqp ANTI-METH SCFV

(Mus musculus) 		PF07686
(V-set) 		5 HIS H1032
PHE H1098
TYR H  50
TYR H  58
SER H  35
 None
None
B40  H1201 (-4.3A)
None
B40  H1201 (-3.4A)
 1.48A 2pcpC-4gqpH:
20.6
2pcpD-4gqpH:
18.4		 2pcpC-4gqpH:
25.10
2pcpD-4gqpH:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lar SINGLE HEAVY CHAIN
VARIABLE FRAGMENT
SINGLE LIGHT CHAIN
VARIABLE FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		5 HIS L  32
PHE L  98
TYR H  50
TYR H  58
SER H  35
 None
None
1WE  L 300 ( 4.5A)
None
1WE  L 300 (-3.6A)
 1.49A 2pcpC-4larL:
20.2
2pcpD-4larL:
14.6		 2pcpC-4larL:
50.79
2pcpD-4larL:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nko ENGINEERED SCFV
HEAVY CHAIN
ENGINEERED SCFV
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 HIS A  31
TYR A  37
PHE A  94
GLY A  96
TYR B  33
 None
 0.47A 2pcpC-4nkoA:
21.3
2pcpD-4nkoA:
14.8		 2pcpC-4nkoA:
68.35
2pcpD-4nkoA:
20.77
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 HIS A 403
TYR A 370
GLY A 371
TYR A 344
TYR A 391
 None
 1.24A 2pcpC-5by3A:
undetectable
2pcpD-5by3A:
undetectable		 2pcpC-5by3A:
13.55
2pcpD-5by3A:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tbd FV FRAGMENT (MAB4D1)
HEAVY CHAIN

(Mus musculus) 		no annotation 5 HIS F  31
TYR F  37
GLY F  96
TYR E  33
HIS E  35
 None
 0.45A 2pcpC-5tbdF:
22.4
2pcpD-5tbdF:
15.1		 2pcpC-5tbdF:
75.89
2pcpD-5tbdF:
20.37