SIMILAR PATTERNS OF AMINO ACIDS FOR 5KSN_A_NIZA809

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.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1

(Saccharomyces
cerevisiae) 		PF00378
(ECH_1) 		5 GLU A 158
VAL A 104
GLY A  69
SER A 127
LEU A  33
 None
 1.41A 5ksnA-1hnoA:
0.0		 5ksnA-1hnoA:
17.93
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A 471
GLU A 469
GLN A 421
LEU A 424
THR A 422
 None
 1.49A 5ksnA-1mroA:
1.2		 5ksnA-1mroA:
21.66
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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 VAL A 114
GLY A 228
SER A 227
GLN A   9
LEU A  80
 None
 1.42A 5ksnA-1td2A:
0.0		 5ksnA-1td2A:
17.29
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.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		5 GLU A  18
GLY A 207
GLN A 180
LEU A 181
THR A 179
 FAD  A 300 ( 4.4A)
None
FAD  A 300 (-4.3A)
None
None
 1.44A 5ksnA-1v93A:
0.0		 5ksnA-1v93A:
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLU A 304
GLY A 246
SER A 244
GLN A 286
THR A 248
 None
 1.08A 5ksnA-2h21A:
0.9		 5ksnA-2h21A:
21.20
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLU A 473
VAL A 470
GLY A 716
LEU A 717
THR A 719
 None
 1.49A 5ksnA-2nq5A:
0.7		 5ksnA-2nq5A:
23.41
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 130
VAL A 129
GLY A 227
LEU A 228
THR A 230
 FE  A 350 (-3.1A)
None
None
None
None
 1.43A 5ksnA-2p1iA:
0.0		 5ksnA-2p1iA:
17.90
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.
3ffv PROTEIN SYD

(Escherichia
coli) 		PF07348
(Syd) 		5 ARG A 163
GLY A 159
GLN A 123
LEU A 128
THR A 122
 None
 1.48A 5ksnA-3ffvA:
undetectable		 5ksnA-3ffvA:
13.60
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.
3lzk FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN

(Sinorhizobium
meliloti) 		PF01557
(FAA_hydrolase) 		5 GLU A 141
GLU A 139
GLY A  84
SER A  85
LEU A 111
 CA  A 339 (-3.0A)
CA  A 339 (-3.4A)
None
None
None
 1.46A 5ksnA-3lzkA:
undetectable		 5ksnA-3lzkA:
19.78
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		5 GLU A  38
VAL A  77
GLY A 265
LEU A 266
THR A 268
 None
 1.33A 5ksnA-3ndnA:
undetectable		 5ksnA-3ndnA:
22.45
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		5 GLU A 757
VAL A 649
GLY A 760
SER A 761
LEU A 762
 None
 1.46A 5ksnA-3odwA:
1.2		 5ksnA-3odwA:
21.61
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		5 ARG A  68
VAL A  64
GLY A  60
GLN A 186
LEU A 142
 None
 1.41A 5ksnA-3oqqA:
undetectable		 5ksnA-3oqqA:
21.96
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLU A 337
VAL A 363
GLY A 335
SER A 333
LEU A 321
 None
 1.49A 5ksnA-3vtfA:
undetectable		 5ksnA-3vtfA:
22.85
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.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		5 GLU A 281
GLU A 172
VAL A 210
GLY A  69
GLN A 178
 None
 1.44A 5ksnA-4atwA:
undetectable		 5ksnA-4atwA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		6 ARG A 119
VAL A 196
GLY A 485
SER A 486
LEU A 616
THR A 618
 None
 0.22A 5ksnA-4c51A:
66.6		 5ksnA-4c51A:
65.51
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.
4kly BLUE-LIGHT ABSORBING
PROTEORHODOPSIN

(gamma
proteobacterium
'Hot 75m4') 		PF01036
(Bac_rhodopsin) 		5 GLU A 108
VAL A 107
GLY A  66
LEU A  67
THR A  69
 None
 1.25A 5ksnA-4klyA:
undetectable		 5ksnA-4klyA:
15.67
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.
5b6h ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
pseudotuberculosis) 		PF00156
(Pribosyltran) 		5 GLU A 140
VAL A 143
GLY A 167
LEU A 133
THR A 135
 None
None
None
None
AMP  A 501 (-2.8A)
 1.40A 5ksnA-5b6hA:
undetectable		 5ksnA-5b6hA:
13.74
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.
5e59 FRNE PROTEIN

(Deinococcus
radiodurans) 		PF01323
(DSBA) 		5 VAL A  45
GLY A 213
SER A 216
LEU A 212
THR A 210
 None
 1.37A 5ksnA-5e59A:
undetectable		 5ksnA-5e59A:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		9 ARG A 123
GLU A 128
GLU A 198
VAL A 200
GLY A 493
SER A 494
GLN A 622
LEU A 623
THR A 625
 None
CL  A 803 ( 4.4A)
CL  A 803 (-4.8A)
None
None
None
None
None
None
 0.14A 5ksnA-5kqiA:
73.2		 5ksnA-5kqiA:
99.59
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.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 ARG A  80
VAL A  12
GLY A  78
SER A  81
LEU A  77
 1TA  A 301 (-3.5A)
None
None
None
1TA  A 301 ( 3.4A)
 1.36A 5ksnA-5ufsA:
0.6		 5ksnA-5ufsA:
16.02
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 7 ARG A 102
GLU A 107
VAL A 180
GLY A 493
SER A 494
LEU A 617
THR A 619
 None
 0.47A 5ksnA-5whsA:
67.4		 5ksnA-5whsA:
5.67
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.
5xxu RIBOSOMAL PROTEIN
ES1
RIBOSOMAL PROTEIN
US11

(Toxoplasma
gondii) 		PF00411
(Ribosomal_S11)
PF01015
(Ribosomal_S3Ae) 		5 GLU B  67
VAL B  68
GLY O  54
SER O  53
THR O  50
 None
None
U  2 915 ( 4.2A)
None
U  2 915 ( 4.0A)
 1.33A 5ksnA-5xxuB:
undetectable		 5ksnA-5xxuB:
15.53
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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 5 GLU A  63
GLY A 255
GLN A 228
LEU A 229
THR A 227
 FAD  A 701 ( 4.5A)
None
FAD  A 701 ( 4.5A)
None
None
 1.31A 5ksnA-6fcxA:
undetectable		 5ksnA-6fcxA:
8.52