SIMILAR PATTERNS OF AMINO ACIDS FOR 3R4X_A_PZAA597_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.
1aos ARGININOSUCCINATE
LYASE

(Homo sapiens) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 GLN A 116
ASP A 120
HIS A  89
GLU A  93
 None
 1.26A 3r4xA-1aosA:
0.0		 3r4xA-1aosA:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d7w MYELOPEROXIDASE
MYELOPEROXIDASE

(Homo sapiens;
Homo sapiens) 		PF03098
(An_peroxidase)
PF03098
(An_peroxidase) 		5 GLN A  91
ASP A  94
HIS A  95
ARG C 239
GLU C 242
 HEM  A 605 ( 3.4A)
HEM  A 605 (-2.1A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
 0.36A 3r4xA-1d7wA:
undetectable		 3r4xA-1d7wA:
38.17
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.19A 3r4xA-1kyiA:
0.0		 3r4xA-1kyiA:
22.88
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.
1ofh ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.31A 3r4xA-1ofhA:
0.0		 3r4xA-1ofhA:
18.05
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A 142
HIS A 145
ARG A 162
GLU A 166
 None
 1.44A 3r4xA-1qvrA:
undetectable		 3r4xA-1qvrA:
20.72
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.
1vjv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 6

(Saccharomyces
cerevisiae) 		PF00443
(UCH) 		4 GLN A 338
ASP A 340
ARG A 361
GLU A 364
 None
 0.99A 3r4xA-1vjvA:
0.0		 3r4xA-1vjvA:
20.53
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 ASP A 564
HIS A 566
ARG B 742
GLU B 743
 None
 1.24A 3r4xA-2fjaA:
0.0		 3r4xA-2fjaA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		5 GLN A  91
ASP A  94
HIS A  95
ARG A 239
GLU A 242
 HEM  A 605 (-3.4A)
HEM  A 605 (-2.0A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
 0.45A 3r4xA-2gjmA:
60.9		 3r4xA-2gjmA:
99.66
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.
2hjg GTP-BINDING PROTEIN
ENGA

(Bacillus
subtilis) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		4 GLN A 274
ASP A 275
ARG A 183
GLU A 244
 None
 1.31A 3r4xA-2hjgA:
undetectable		 3r4xA-2hjgA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 GLN A 479
HIS A 519
ARG A 521
GLU A 525
 None
 1.49A 3r4xA-2wkpA:
undetectable		 3r4xA-2wkpA:
20.37
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		4 GLN A  60
ASP A  58
ARG A 194
GLU A 191
 None
 1.11A 3r4xA-3bydA:
undetectable		 3r4xA-3bydA:
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 GLN A 210
ASP A 213
HIS A 271
ARG A 266
 None
 0.85A 3r4xA-3v7iA:
undetectable		 3r4xA-3v7iA:
21.38
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.
4f06 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 GLN A 145
ASP A 385
HIS A 355
ARG A 138
 None
 1.11A 3r4xA-4f06A:
undetectable		 3r4xA-4f06A:
20.99
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.
4hly K9

(Human
gammaherpesvirus
8) 		PF00605
(IRF) 		4 ASP A  98
HIS A 100
ARG A  48
GLU A  23
 None
 1.15A 3r4xA-4hlyA:
undetectable		 3r4xA-4hlyA:
12.56
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.
4nmi ECTD

(Virgibacillus
salexigens) 		PF05721
(PhyH) 		4 GLN A  99
ASP A 100
HIS A  96
GLU A 291
 None
 1.03A 3r4xA-4nmiA:
undetectable		 3r4xA-4nmiA:
18.36
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 GLN A  14
ASP A  13
HIS A 329
GLU A 340
 None
ZN  A1576 (-2.1A)
ZN  A1576 (-3.1A)
None
 1.10A 3r4xA-4upiA:
undetectable		 3r4xA-4upiA:
20.84
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 GLN A 256
ASP A 255
HIS A 257
GLU A 201
 None
 1.47A 3r4xA-5b4wA:
undetectable		 3r4xA-5b4wA:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLN A 257
ASP A 260
HIS A 261
ARG A 405
 HEM  A 812 (-3.3A)
HEM  A 812 (-1.1A)
None
HEM  A 812 (-3.7A)
 0.30A 3r4xA-5mfaA:
54.6		 3r4xA-5mfaA:
49.78
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 GLN A3667
ASP A3666
ARG A3620
GLU A3624
 None
 1.31A 3r4xA-5nugA:
undetectable		 3r4xA-5nugA:
8.72
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.
5xnr ALYQ

(Persicobacter
sp. CCB-QB2) 		no annotation 4 GLN A 436
ASP A 447
HIS A 438
GLU A 394
 None
 1.36A 3r4xA-5xnrA:
undetectable		 3r4xA-5xnrA:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
ASP A 260
HIS A 261
ARG A 405
 None
 0.48A 3r4xA-6azpA:
54.8		 3r4xA-6azpA:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLN A 257
ASP A 260
HIS A 261
GLU A 408
 None
 0.94A 3r4xA-6azpA:
54.8		 3r4xA-6azpA:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 GLN A  97
HIS A 101
ARG A 233
GLU A 236
 HEM  A 604 (-3.4A)
None
HEM  A 604 (-3.1A)
HEM  A 604 (-2.2A)
 0.78A 3r4xA-6ercA:
39.8		 3r4xA-6ercA:
undetectable