SIMILAR PATTERNS OF AMINO ACIDS FOR 5A06_D_SORD1344

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.
1lc0 BILIVERDIN REDUCTASE
A

(Rattus
norvegicus) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 ASP A  68
LYS A  91
HIS A  92
ARG A 118
 None
 0.79A 5a06D-1lc0A:
26.1		 5a06D-1lc0A:
22.73
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.
2a11 RIBONUCLEASE III

(Mycobacterium
tuberculosis) 		PF14622
(Ribonucleas_3_3) 		4 ASP A 120
HIS A  27
ARG A  28
ILE A 117
 CA  A1001 (-4.3A)
None
None
None
 1.00A 5a06D-2a11A:
undetectable		 5a06D-2a11A:
23.12
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.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		4 ASP A  87
LYS A  90
HIS A  91
ILE A  54
 None
 1.20A 5a06D-2fywA:
undetectable		 5a06D-2fywA:
20.57
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.75A 5a06D-2glxA:
39.0		 5a06D-2glxA:
29.26
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		4 ASP A  64
LYS A  87
HIS A  88
ILE A 288
 None
 0.53A 5a06D-2ho5A:
31.1		 5a06D-2ho5A:
25.55
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.
2q12 DCC-INTERACTING
PROTEIN 13 ALPHA

(Homo sapiens) 		PF16746
(BAR_3) 		4 ASP A 141
HIS A 140
ARG A 171
ILE A 144
 None
 1.13A 5a06D-2q12A:
undetectable		 5a06D-2q12A:
20.87
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.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  77
LYS A 100
HIS A 101
ARG A 127
 None
 0.27A 5a06D-3e82A:
29.8		 5a06D-3e82A:
25.00
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.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 ASP A  69
LYS A  92
HIS A  93
ILE A 290
 None
 0.82A 5a06D-3evnA:
33.3		 5a06D-3evnA:
25.14
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A 252
LYS A 277
HIS A 253
ILE A 304
 None
 1.04A 5a06D-3h77A:
undetectable		 5a06D-3h77A:
23.60
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.
3ld8 ANTIBODY FAB
FRAGMENT LIGHT CHAIN

(Cricetulus
migratorius) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B 149
LYS B 205
HIS B 204
ILE B 150
 None
 1.20A 5a06D-3ld8B:
undetectable		 5a06D-3ld8B:
20.29
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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		4 ASP A 100
LYS A  96
ARG A 199
ILE A 203
 None
 1.18A 5a06D-3wtcA:
8.8		 5a06D-3wtcA:
22.73
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.
3zfv CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 1

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		4 ASP A 246
LYS A 248
ARG A 252
ILE A 244
 None
 1.43A 5a06D-3zfvA:
undetectable		 5a06D-3zfvA:
21.98
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.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		4 ASP A  61
LYS A  84
HIS A  85
ILE A 276
 None
 0.64A 5a06D-4ew6A:
28.4		 5a06D-4ew6A:
26.32
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.
4fg0 POLYPROTEIN

(Saint Louis
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 ASP A  95
LYS A  93
ARG A  94
ILE A 113
 None
 1.25A 5a06D-4fg0A:
undetectable		 5a06D-4fg0A:
22.35
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		4 ASP A 237
LYS A 194
ARG A 193
ILE A 238
 None
 1.07A 5a06D-4fidA:
5.1		 5a06D-4fidA:
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  76
LYS A  99
HIS A 100
ILE A 352
 None
 0.62A 5a06D-4gqaA:
36.2		 5a06D-4gqaA:
27.99
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.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.46A 5a06D-4koaA:
37.3		 5a06D-4koaA:
28.73
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		4 ASP A 290
LYS A 293
ARG A 297
ILE A 247
 None
 1.07A 5a06D-4mb5A:
undetectable		 5a06D-4mb5A:
22.28
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 ASP A 130
HIS A 241
ARG A 240
ILE A 127
 EDO  A 604 (-3.5A)
HEM  A 608 ( 3.3A)
HEM  A 608 (-3.6A)
HEM  A 608 ( 4.0A)
 1.08A 5a06D-4n4kA:
undetectable		 5a06D-4n4kA:
20.94
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  70
LYS A  93
HIS A  94
ILE A 306
 None
 0.47A 5a06D-4n54A:
34.1		 5a06D-4n54A:
26.06
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.
4qo5 HYPOTHETICAL
MULTIHEME PROTEIN

(Ignicoccus
hospitalis) 		PF13435
(Cytochrome_C554)
PF13447
(Multi-haem_cyto) 		4 ASP A  65
HIS A 250
ARG A 249
ILE A  62
 None
HEC  A 602 (-3.3A)
HEC  A 602 ( 3.9A)
HEC  A 602 (-4.1A)
 1.19A 5a06D-4qo5A:
undetectable		 5a06D-4qo5A:
21.37
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.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		4 ASP A 290
LYS A 293
ARG A 297
ILE A 247
 NA  A 411 ( 3.9A)
None
None
None
 0.96A 5a06D-4w5zA:
undetectable		 5a06D-4w5zA:
22.05
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ASP A 112
HIS A 128
ARG A 126
ILE A  93
 None
 1.45A 5a06D-4zxiA:
2.3		 5a06D-4zxiA:
14.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE

(Caulobacter
vibrioides) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A  75
LYS A  98
HIS A  99
ARG A 125
ILE A 304
 None
 0.10A 5a06D-5a05A:
57.5		 5a06D-5a05A:
100.00
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LYS A 444
HIS A 443
ARG A 498
ILE A 440
 None
 1.46A 5a06D-5az4A:
undetectable		 5a06D-5az4A:
19.14
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.
5j7t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF12436
(USP7_ICP0_bdg) 		4 ASP A 535
LYS A 240
ARG A 239
ILE A 536
 None
 1.13A 5a06D-5j7tA:
undetectable		 5a06D-5j7tA:
18.30
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASP A 258
LYS A 262
HIS A 263
ILE A 254
 None
 0.99A 5a06D-5jp0A:
undetectable		 5a06D-5jp0A:
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 ASP A  77
LYS A 100
HIS A 101
ARG A 127
ILE A 337
 None
 0.48A 5a06D-5yapA:
35.6		 5a06D-5yapA:
undetectable