SIMILAR PATTERNS OF AMINO ACIDS FOR 5SXS_B_NIZB806_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
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.
1g0i INOSITOL
MONOPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF00459
(Inositol_P) 		5 ARG A 198
VAL A 200
GLY A  37
SER A  36
THR A  33
 PO4  A 293 (-3.5A)
None
None
None
None
 1.41A 5sxsB-1g0iA:
0.0		 5sxsB-1g0iA:
16.74
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.
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
 1.40A 5sxsB-1hnoA:
0.0		 5sxsB-1hnoA:
18.10
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
 1.41A 5sxsB-1td2A:
0.0		 5sxsB-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
 1.41A 5sxsB-1v93A:
0.0		 5sxsB-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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT
NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 VAL B 553
GLY A 366
SER A 365
GLN A 195
LEU A 359
 None
 1.49A 5sxsB-2b24B:
undetectable		 5sxsB-2b24B:
13.33
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ARG A 598
GLU A 591
GLY A 812
LEU A 627
THR A 815
 None
 1.36A 5sxsB-2gahA:
0.0		 5sxsB-2gahA:
24.21
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
 1.07A 5sxsB-2h21A:
0.2		 5sxsB-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
 1.48A 5sxsB-2nq5A:
undetectable		 5sxsB-2nq5A:
22.74
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.
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
 1.40A 5sxsB-2p1iA:
undetectable		 5sxsB-2p1iA:
18.03
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 GLU A 203
VAL A 307
GLY A 218
LEU A 200
THR A 199
 None
 1.38A 5sxsB-2xfsA:
0.4		 5sxsB-2xfsA:
22.81
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.37A 5sxsB-3ayfA:
1.7		 5sxsB-3ayfA:
23.34
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 5sxsB-3lzkA:
undetectable		 5sxsB-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.
3m8o IMMUNOGLOBULIN A1
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H  99
GLY H  31
SER H  32
LEU H  29
THR H  28
 None
 1.43A 5sxsB-3m8oH:
undetectable		 5sxsB-3m8oH:
15.10
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
 1.30A 5sxsB-3ndnA:
undetectable		 5sxsB-3ndnA:
22.39
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
 1.47A 5sxsB-3odwA:
undetectable		 5sxsB-3odwA:
21.88
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
 1.42A 5sxsB-3oqqA:
undetectable		 5sxsB-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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 VAL A 113
GLY A 227
SER A 226
GLN A   8
LEU A  79
 None
 1.50A 5sxsB-3pzsA:
undetectable		 5sxsB-3pzsA:
20.16
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
 0.23A 5sxsB-4c51A:
66.5		 5sxsB-4c51A:
65.64
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 5sxsB-4klyA:
undetectable		 5sxsB-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.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ARG A 611
VAL A 543
GLY A 609
SER A 612
LEU A 608
 MOF  A 801 (-4.2A)
None
None
None
MOF  A 801 ( 4.6A)
 1.33A 5sxsB-4p6wA:
1.2		 5sxsB-4p6wA:
15.19
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.
5c16 MYOTUBULARIN-RELATED
PROTEIN 1

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 ARG A 343
VAL A 347
GLY A 441
SER A 438
GLN A 307
 None
None
PO4  A 701 (-3.5A)
PO4  A 701 (-2.4A)
None
 1.45A 5sxsB-5c16A:
undetectable		 5sxsB-5c16A:
20.74
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 5sxsB-5e59A:
undetectable		 5sxsB-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
 0.19A 5sxsB-5kqiA:
72.7		 5sxsB-5kqiA:
99.73
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.
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)
 1.35A 5sxsB-5ufsA:
0.2		 5sxsB-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
 0.48A 5sxsB-5whsA:
67.4		 5sxsB-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)
 1.35A 5sxsB-5xxuB:
undetectable		 5sxsB-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
 1.29A 5sxsB-6fcxA:
undetectable		 5sxsB-6fcxA:
8.52