SIMILAR PATTERNS OF AMINO ACIDS FOR 6CGG_D_84GD600_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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 SER A 377
ASN A 292
GLU A 252
GLU A 168
GLU A 301
 None
NAD  A1002 ( 4.9A)
None
None
None
 1.45A 6cggD-1vrqA:
0.0		 6cggD-1vrqA:
14.67
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ASN A 339
HIS A 340
TYR A 292
GLU A 435
GLU A 219
 None
 1.48A 6cggD-2e8yA:
1.1		 6cggD-2e8yA:
18.09
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 SER A 456
ASN A 399
GLU A 288
GLU A 331
GLU A 381
 246  A1536 (-3.3A)
246  A1536 (-3.4A)
None
None
246  A1536 (-3.3A)
 1.35A 6cggD-2qpmA:
0.3		 6cggD-2qpmA:
17.33
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.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		5 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.18A 6cggD-2v84A:
0.1		 6cggD-2v84A:
20.22
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
TYR A 311
GLU A 288
GLU A 294
TYR A 291
 None
 1.28A 6cggD-3a2fA:
1.3		 6cggD-3a2fA:
18.09
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 ASP A 423
HIS A 532
GLU A 615
GLU A 794
TYR A 648
 None
 1.38A 6cggD-4il1A:
undetectable		 6cggD-4il1A:
15.34
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.
5bv5 CYTOCHROME P450 119

(Sulfolobus
solfataricus) 		PF00067
(p450) 		5 ASP A 224
SER A 251
ASN A 355
TYR A 250
GLU A 296
 None
 1.28A 6cggD-5bv5A:
1.7		 6cggD-5bv5A:
23.77
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A  32
SER A  71
HIS A 241
TYR A  75
GLU A 143
 ZN  A 509 (-1.9A)
ZN  A 509 (-2.0A)
ZN  A 509 (-3.4A)
None
None
 1.35A 6cggD-5egeA:
0.3		 6cggD-5egeA:
20.18
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A 240
SER A  71
HIS A 241
TYR A  75
GLU A 143
 ZN  A 509 (-2.4A)
ZN  A 509 (-2.0A)
ZN  A 509 (-3.4A)
None
None
 1.41A 6cggD-5egeA:
0.3		 6cggD-5egeA:
20.18
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.
5ksw DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 SER B  59
TYR B 126
GLU B 127
GLU B 133
GLU B 159
 None
 1.39A 6cggD-5kswB:
0.0		 6cggD-5kswB:
22.19
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 ASP A 465
SER A 505
ASN A 556
GLU A 548
GLU A 555
 None
 1.34A 6cggD-5ve8A:
3.5		 6cggD-5ve8A:
15.85
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 8 ASP A 374
SER A 376
ASN A 378
HIS A 379
TYR A 408
GLU A 411
GLU A 416
GLU A 445
 GNP  A 500 (-4.6A)
None
None
MG  A 700 ( 3.2A)
None
None
None
None
 0.54A 6cggD-6ceyA:
42.0		 6cggD-6ceyA:
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 9 ASP A 374
SER A 376
ASN A 378
HIS A 379
TYR A 408
GLU A 411
GLU A 416
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
None
MG  A 700 ( 3.2A)
None
None
None
None
None
 0.46A 6cggD-6ceyA:
42.0		 6cggD-6ceyA:
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 TYR A 408
GLU A 411
GLU A 415
GLU A 416
GLU A 445
 None
 0.93A 6cggD-6ceyA:
42.0		 6cggD-6ceyA:
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 TYR A 408
GLU A 411
GLU A 415
GLU A 416
TYR A 448
 None
 0.98A 6cggD-6ceyA:
42.0		 6cggD-6ceyA:
undetectable