SIMILAR PATTERNS OF AMINO ACIDS FOR 2E1Q_B_SALB3006_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ARG A 880
PHE A 914
THR A1010
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 ( 3.8A)
 0.26A 2e1qB-1n5xA:
45.7		 2e1qB-1n5xA:
89.49
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 ARG A 233
PHE A  51
THR A 198
ALA A 153
 ARG  A 233 (-0.6A)
PHE  A  51 ( 1.3A)
THR  A 198 ( 0.8A)
ALA  A 153 ( 0.0A)
 1.28A 2e1qB-1wsvA:
0.7		 2e1qB-1wsvA:
14.29
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ARG B 310
PHE B 344
THR B 460
ALA B 529
 HPA  B1780 (-3.4A)
HPA  B1780 (-3.4A)
HPA  B1780 (-3.6A)
HPA  B1780 ( 3.2A)
 0.36A 2e1qB-2w55B:
47.4		 2e1qB-2w55B:
26.56
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		4 ARG A 193
PHE A 184
THR A 186
ALA A 192
 None
 1.44A 2e1qB-2zwaA:
0.0		 2e1qB-2zwaA:
19.66
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ARG A 110
PHE A  55
THR A  62
ALA A  58
 None
 1.39A 2e1qB-3gd5A:
0.0		 2e1qB-3gd5A:
13.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ARG C 880
PHE C 914
THR C1010
ALA C1079
 None
RMO  C1317 (-3.6A)
None
RMO  C1317 ( 3.6A)
 0.34A 2e1qB-3sr6C:
53.5		 2e1qB-3sr6C:
61.41
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		4 ARG A 261
PHE A 244
THR A 112
ALA A 221
 None
 1.05A 2e1qB-4wcjA:
0.0		 2e1qB-4wcjA:
12.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ARG A 880
PHE A 914
THR A1010
ALA A1079
 URC  A3007 (-3.7A)
URC  A3007 ( 3.4A)
URC  A3007 (-3.5A)
URC  A3007 (-3.4A)
 0.15A 2e1qB-4yswA:
46.1		 2e1qB-4yswA:
90.28
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 4 ARG A 232
PHE A 221
THR A 204
ALA A 206
 SO4  A 303 ( 2.9A)
None
SO4  A 302 (-3.2A)
SO4  A 303 (-3.4A)
 1.36A 2e1qB-5ysqA:
0.0		 2e1qB-5ysqA:
4.58