SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZC_E_ACTE401

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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ILE A 318
GLU A 489
PHE A 491
ARG A 480
 None
 1.49A 4zzcA-2qquA:
0.0
4zzcE-2qquA:
0.0		 4zzcA-2qquA:
21.68
4zzcE-2qquA:
21.68
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.
3auz DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		4 ARG A  21
GLU A 207
PHE A 249
ARG A 247
 None
 1.37A 4zzcA-3auzA:
0.0
4zzcE-3auzA:
0.0		 4zzcA-3auzA:
23.16
4zzcE-3auzA:
23.16
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.
3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36

(Homo sapiens) 		PF04157
(EAP30) 		4 ARG B 304
ILE B 263
GLU B 320
PHE B 306
 None
 1.45A 4zzcA-3cuqB:
0.0
4zzcE-3cuqB:
0.0		 4zzcA-3cuqB:
21.12
4zzcE-3cuqB:
21.12
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ILE A  13
GLU A  96
PHE A 283
ARG A  20
 NAD  A 400 (-4.1A)
NAD  A 400 (-2.9A)
None
None
 1.37A 4zzcA-3ec7A:
0.0
4zzcE-3ec7A:
0.0		 4zzcA-3ec7A:
20.26
4zzcE-3ec7A:
20.26
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 428
ILE A 424
GLU A 398
ARG A 345
 None
 0.91A 4zzcA-3hdxA:
1.1
4zzcE-3hdxA:
1.0		 4zzcA-3hdxA:
20.95
4zzcE-3hdxA:
20.95
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		4 ARG A 107
ILE A  96
GLU A 100
PHE A  68
 None
 1.41A 4zzcA-3hq0A:
0.0
4zzcE-3hq0A:
0.0		 4zzcA-3hq0A:
21.15
4zzcE-3hq0A:
21.15
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.
3wwt SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA
PROTEIN C'

(Homo sapiens;
Murine
respirovirus) 		PF02865
(STAT_int)
PF01692
(Paramyxo_C) 		4 ARG B 157
ILE B 104
GLU B 101
ARG A  88
 None
 1.32A 4zzcA-3wwtB:
undetectable
4zzcE-3wwtB:
undetectable		 4zzcA-3wwtB:
15.09
4zzcE-3wwtB:
15.09
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 ARG A 573
ILE A 576
GLU A 559
PHE A 515
 None
 1.45A 4zzcA-4areA:
1.7
4zzcE-4areA:
1.7		 4zzcA-4areA:
19.15
4zzcE-4areA:
19.15
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.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 ILE A 355
GLU A 360
PHE A 352
ARG A 350
 None
 1.30A 4zzcA-4femA:
0.0
4zzcE-4femA:
0.4		 4zzcA-4femA:
21.25
4zzcE-4femA:
21.25
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.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N) 		4 ARG A 603
ILE A 532
GLU A 607
ARG A   2
 None
 1.29A 4zzcA-5b48A:
0.0
4zzcE-5b48A:
0.0		 4zzcA-5b48A:
21.28
4zzcE-5b48A:
21.28