SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_C_CLMC221_0

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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 PHE A  11
SER A  65
TYR A  84
VAL A   2
PHE A  44
 None
 1.38A 3u9fA-1cnsA:
undetectable
3u9fC-1cnsA:
undetectable		 3u9fA-1cnsA:
19.92
3u9fC-1cnsA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		8 THR A  93
PHE A 102
SER A 104
TYR A 133
PHE A 134
SER A 146
VAL A 160
PHE A 166
 None
 0.60A 3u9fA-1pd5A:
34.4
3u9fC-1pd5A:
34.7		 3u9fA-1pd5A:
100.00
3u9fC-1pd5A:
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.
2a8g AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		5 PHE A  79
PHE A 120
SER A  16
TYR A  33
VAL A 115
 None
 1.45A 3u9fA-2a8gA:
0.0
3u9fC-2a8gA:
0.0		 3u9fA-2a8gA:
18.84
3u9fC-2a8gA:
18.84
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.
2c1q BIOTIN BINDING
PROTEIN A

(Gallus gallus) 		PF01382
(Avidin) 		5 PHE A  80
PHE A 121
SER A  16
TYR A  33
VAL A 116
 BTN  A1126 ( 4.8A)
None
BTN  A1126 (-2.6A)
BTN  A1126 (-4.5A)
None
 1.42A 3u9fA-2c1qA:
0.0
3u9fC-2c1qA:
0.0		 3u9fA-2c1qA:
21.31
3u9fC-2c1qA:
21.31
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.
2c4i AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		5 PHE A  24
PHE A  65
SER A  95
TYR A 112
VAL A  60
 None
None
BTN  A1274 (-2.7A)
BTN  A1274 (-4.5A)
None
 1.45A 3u9fA-2c4iA:
0.0
3u9fC-2c4iA:
0.0		 3u9fA-2c4iA:
20.55
3u9fC-2c4iA:
20.55
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.
2fhl AVIDIN-RELATED
PROTEIN 4/5

(Gallus gallus) 		PF01382
(Avidin) 		5 PHE A  77
PHE A 118
SER A  16
TYR A  33
VAL A 113
 None
None
BNI  A 501 (-2.7A)
BNI  A 501 (-4.6A)
None
 1.44A 3u9fA-2fhlA:
0.0
3u9fC-2fhlA:
0.0		 3u9fA-2fhlA:
16.96
3u9fC-2fhlA:
16.96
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.
2ggz GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 PHE A 174
THR A  62
PHE A  63
VAL A 168
PHE A 154
 None
 1.05A 3u9fA-2ggzA:
0.0
3u9fC-2ggzA:
0.0		 3u9fA-2ggzA:
21.22
3u9fC-2ggzA:
21.22
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 CYH A 406
THR A  54
SER A 223
VAL A 303
PHE A 352
 FAD  A 600 (-1.6A)
None
None
FAD  A 600 ( 4.7A)
HRM  A 700 (-4.3A)
 1.47A 3u9fA-2z5xA:
0.0
3u9fC-2z5xA:
0.0		 3u9fA-2z5xA:
16.18
3u9fC-2z5xA:
16.18
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 442
PHE A 233
PHE A 107
SER A  83
VAL A 281
 None
 1.33A 3u9fA-3a9vA:
0.0
3u9fC-3a9vA:
0.0		 3u9fA-3a9vA:
16.42
3u9fC-3a9vA:
16.42
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 349
SER A 345
SER A  61
VAL A 268
PHE A 319
 None
 1.46A 3u9fA-3be7A:
0.0
3u9fC-3be7A:
0.0		 3u9fA-3be7A:
19.02
3u9fC-3be7A:
19.02
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		5 CYH A  67
SER A 104
PHE A 156
SER A  99
VAL A  53
 None
 1.33A 3u9fA-3cwvA:
undetectable
3u9fC-3cwvA:
undetectable		 3u9fA-3cwvA:
17.98
3u9fC-3cwvA:
17.98
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 PHE N 105
SER N  84
PHE N 241
SER N  41
VAL J 153
 None
 1.49A 3u9fA-3rkoN:
undetectable
3u9fC-3rkoN:
undetectable		 3u9fA-3rkoN:
20.04
3u9fC-3rkoN:
20.04
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 PHE A  50
SER A  37
TYR A  48
PHE A  41
PHE A 135
 None
None
None
None
GOL  A 301 ( 4.9A)
 1.32A 3u9fA-3zphA:
undetectable
3u9fC-3zphA:
undetectable		 3u9fA-3zphA:
22.18
3u9fC-3zphA:
22.18
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 PHE A 131
THR A 221
SER A 220
PHE A 203
SER A 223
 None
 1.20A 3u9fA-4c2fA:
undetectable
3u9fC-4c2fA:
undetectable		 3u9fA-4c2fA:
20.19
3u9fC-4c2fA:
20.19
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.
4mj7 RRNA-PROCESSING
PROTEIN UTP23

(Saccharomyces
cerevisiae) 		PF04900
(Fcf1) 		5 PHE A  43
CYH A  38
THR A  52
VAL A  35
PHE A  84
 None
 1.15A 3u9fA-4mj7A:
undetectable
3u9fC-4mj7A:
undetectable		 3u9fA-4mj7A:
18.94
3u9fC-4mj7A:
18.94
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.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		5 PHE B 506
CYH B 399
SER B 418
VAL B 398
PHE B 436
 G3A  B 606 (-3.8A)
None
None
None
None
 1.47A 3u9fA-5c8sB:
undetectable
3u9fC-5c8sB:
undetectable		 3u9fA-5c8sB:
18.38
3u9fC-5c8sB:
18.38
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 THR A  76
SER A 128
TYR A 172
SER A  71
VAL A 185
 None
 1.37A 3u9fA-5w21A:
undetectable
3u9fC-5w21A:
undetectable		 3u9fA-5w21A:
undetectable
3u9fC-5w21A:
undetectable
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.
5wth POLYPROTEIN

(Hepatovirus A) 		PF12944
(HAV_VP) 		5 THR A 252
SER A 255
TYR A 137
VAL A 229
PHE A 159
 None
 1.48A 3u9fA-5wthA:
undetectable
3u9fC-5wthA:
undetectable		 3u9fA-5wthA:
21.55
3u9fC-5wthA:
21.55
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.36A 3u9fA-6coyA:
undetectable
3u9fC-6coyA:
undetectable		 3u9fA-6coyA:
undetectable
3u9fC-6coyA:
undetectable