SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZC_D_ACTD401

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.
2bre ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 PHE A 176
ARG A 174
ILE A 147
GLU A 149
 None
 1.31A 4zzcD-2breA:
0.0
4zzcE-2breA:
0.0		 4zzcD-2breA:
20.62
4zzcE-2breA:
20.62
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.
3df7 PUTATIVE ATP-GRASP
SUPERFAMILY PROTEIN

(Archaeoglobus
fulgidus) 		PF02655
(ATP-grasp_3) 		4 PHE A  49
ARG A  46
ARG A  15
ILE A  16
 None
 1.30A 4zzcD-3df7A:
0.0
4zzcE-3df7A:
0.0		 4zzcD-3df7A:
20.71
4zzcE-3df7A:
20.71
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 PHE A 283
ARG A  20
ILE A  13
GLU A  96
 None
None
NAD  A 400 (-4.1A)
NAD  A 400 (-2.9A)
 1.33A 4zzcD-3ec7A:
0.0
4zzcE-3ec7A:
0.0		 4zzcD-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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		4 PHE A  68
ARG A 107
ILE A  96
GLU A 100
 None
 1.45A 4zzcD-3hq0A:
0.0
4zzcE-3hq0A:
0.0		 4zzcD-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.
3il2 REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Thermus
thermophilus) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		4 ARG A 140
ARG A 108
ILE A 141
GLU A 142
 None
 1.34A 4zzcD-3il2A:
0.0
4zzcE-3il2A:
0.0		 4zzcD-3il2A:
22.69
4zzcE-3il2A:
22.69
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 PHE A 515
ARG A 573
ILE A 576
GLU A 559
 None
 1.49A 4zzcD-4areA:
1.7
4zzcE-4areA:
1.7		 4zzcD-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.
4fch OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 PHE A 352
ARG A 350
ILE A 355
GLU A 360
 None
GLC  A 406 (-3.0A)
GLC  A 407 (-4.6A)
None
 1.43A 4zzcD-4fchA:
0.5
4zzcE-4fchA:
0.4		 4zzcD-4fchA:
19.57
4zzcE-4fchA:
19.57
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 PHE A 352
ARG A 350
ILE A 355
GLU A 360
 None
 1.37A 4zzcD-4femA:
0.4
4zzcE-4femA:
0.4		 4zzcD-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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		4 PHE B 282
ARG B 199
ILE B 250
GLU B 249
 None
 1.12A 4zzcD-4yjfB:
0.3
4zzcE-4yjfB:
0.0		 4zzcD-4yjfB:
21.79
4zzcE-4yjfB:
21.79