SIMILAR PATTERNS OF AMINO ACIDS FOR 6D8P_A_ACTA810_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.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 TYR A 239
GLU A 242
GLN A 243
LYS A 246
 TYR  A 239 ( 1.3A)
GLU  A 242 ( 0.6A)
GLN  A 243 ( 0.6A)
LYS  A 246 ( 0.0A)
 1.02A 6d8pA-1fxjA:
0.0		 6d8pA-1fxjA:
18.22
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.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF01380
(SIS) 		4 HIS A 250
TYR A 585
GLU A 255
GLN A 253
 None
 1.24A 6d8pA-1morA:
0.0		 6d8pA-1morA:
19.87
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.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 TYR A 377
GLU A 380
GLN A 381
LYS A 384
 None
 1.02A 6d8pA-2i14A:
0.0		 6d8pA-2i14A:
19.75
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		4 HIS A 250
TYR A 585
GLU A 255
GLN A 253
 None
 1.30A 6d8pA-2j6hA:
0.0		 6d8pA-2j6hA:
22.15
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		4 TYR B1370
TYR B1461
GLU B1465
LYS B1338
 None
 1.49A 6d8pA-2xwbB:
0.0		 6d8pA-2xwbB:
22.49
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 4 HIS A 442
TYR A 444
GLU A 401
GLN A 388
 None
 1.48A 6d8pA-2yr5A:
0.0		 6d8pA-2yr5A:
22.52
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.
3ed4 ARYLSULFATASE

(Escherichia
coli) 		PF00884
(Sulfatase) 		4 TYR A 486
TYR A 377
GLU A 402
LYS A 417
 None
 1.46A 6d8pA-3ed4A:
0.0		 6d8pA-3ed4A:
22.70
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.
4igl YENC2

(Yersinia
entomophaga) 		no annotation 4 HIS B 426
TYR B 435
TYR B 611
GLN B 388
 None
 1.37A 6d8pA-4iglB:
0.0		 6d8pA-4iglB:
23.37
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 HIS A1926
TYR A1935
TYR A2112
GLN A1890
 None
 1.39A 6d8pA-4o9xA:
undetectable		 6d8pA-4o9xA:
16.81
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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		4 HIS A 259
TYR A 347
GLU A 221
LYS A 349
 SO4  A 503 (-3.9A)
None
None
SO4  A 503 ( 3.9A)
 1.46A 6d8pA-4q8kA:
0.2		 6d8pA-4q8kA:
18.23
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.
5b23 UNCHARACTERIZED
PROTEIN SORTASE B

(Clostridium
perfringens) 		PF04203
(Sortase) 		4 TYR A 179
TYR A 203
GLU A 206
GLN A 207
 None
 1.41A 6d8pA-5b23A:
undetectable		 6d8pA-5b23A:
14.61
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.
5ggt PROGRAMMED CELL
DEATH 1 LIGAND 1

(Homo sapiens) 		PF07686
(V-set) 		4 TYR A  81
TYR A 112
GLU A  60
LYS A  62
 None
 1.11A 6d8pA-5ggtA:
undetectable		 6d8pA-5ggtA:
9.56
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.
5kd0 AROMATIC
PRENYLTRANSFERASE

(Aspergillus
terreus) 		PF11991
(Trp_DMAT) 		4 TYR A 414
TYR A 375
GLU A 378
LYS A 382
 None
 1.06A 6d8pA-5kd0A:
undetectable		 6d8pA-5kd0A:
20.42
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.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 4 HIS B 426
TYR B 434
TYR B 610
GLN B 388
 None
 1.39A 6d8pA-5kisB:
undetectable		 6d8pA-5kisB:
22.89
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.
5mza ERYTHROCYTE MEMBRANE
PROTEIN 1 (PFEMP1)

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 TYR A1051
TYR A1010
GLU A1013
GLN A1014
 None
 1.28A 6d8pA-5mzaA:
1.6		 6d8pA-5mzaA:
20.03
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.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		4 HIS A 836
TYR A 832
TYR A 866
GLN A 889
 None
 1.49A 6d8pA-5ue8A:
undetectable		 6d8pA-5ue8A:
22.31
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.
5vrv PROTEIN REGULATED BY
ACID PH

(Agrobacterium
fabrum) 		PF09924
(DUF2156) 		4 HIS A 811
TYR A 816
TYR A 620
GLN A 621
 None
 1.13A 6d8pA-5vrvA:
0.2		 6d8pA-5vrvA:
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.
5xj4 PROGRAMMED CELL
DEATH 1 LIGAND 1

(Homo sapiens) 		no annotation 4 TYR A  81
TYR A 112
GLU A  60
LYS A  62
 None
 1.18A 6d8pA-5xj4A:
undetectable		 6d8pA-5xj4A:
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.
5xts MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 4 HIS A 377
TYR A 484
GLU A 380
LYS A 382
 None
 1.30A 6d8pA-5xtsA:
undetectable		 6d8pA-5xtsA:
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.
5xtw MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 4 HIS A 377
TYR A 484
GLU A 380
LYS A 382
 None
 1.33A 6d8pA-5xtwA:
undetectable		 6d8pA-5xtwA:
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.
6d95 -

(-) 		no annotation 6 HIS A 516
TYR A 557
TYR A 717
GLU A 720
GLN A 721
LYS A 724
 None
 0.52A 6d8pA-6d95A:
54.1		 6d8pA-6d95A:
undetectable