SIMILAR PATTERNS OF AMINO ACIDS FOR 4EOH_B_TEPB402_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.
1cjb PROTEIN
(HYPOXANTHINE-GUANIN
E
PHOSPHORIBOSYLTRANSF
ERASE)

(Plasmodium
falciparum) 		PF00156
(Pribosyltran) 		4 SER A 202
TYR A 201
VAL A 143
ASP A 145
 None
None
None
IRP  A 300 (-2.6A)
 1.46A 4eohB-1cjbA:
undetectable		 4eohB-1cjbA:
21.67
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 112
HIS A 120
TYR A 103
VAL A  85
 None
 1.34A 4eohB-1csjA:
undetectable		 4eohB-1csjA:
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.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		4 SER A  78
HIS A  83
VAL A 216
ASP A 212
 None
 1.32A 4eohB-1q3kA:
2.5		 4eohB-1q3kA:
22.16
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.
1r76 PECTATE LYASE

(Niveispirillum
irakense) 		PF09492
(Pec_lyase) 		4 SER A  69
HIS A 140
VAL A 167
ASP A  66
 None
 1.44A 4eohB-1r76A:
undetectable		 4eohB-1r76A:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		4 HIS A  46
TYR A  84
VAL A 231
ASP A 235
 None
 0.33A 4eohB-1rfvA:
47.8		 4eohB-1rfvA:
86.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		4 SER A  12
HIS A  46
VAL A 231
ASP A 235
 None
 0.69A 4eohB-1rfvA:
47.8		 4eohB-1rfvA:
86.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 SER A  10
HIS A  44
TYR A  83
VAL A 220
ASP A 224
 PXL  A 288 (-2.4A)
PXL  A 288 (-4.9A)
PXL  A 288 (-3.8A)
PXL  A 288 (-4.5A)
PXL  A 288 (-2.5A)
 0.89A 4eohB-1td2A:
36.8		 4eohB-1td2A:
32.30
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.
1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110

(Homo sapiens) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF13414
(TPR_11)
PF13424
(TPR_12) 		4 SER A 243
HIS A 248
TYR A 218
VAL A 251
 None
 1.44A 4eohB-1w3bA:
undetectable		 4eohB-1w3bA:
21.59
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.
2faq PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		no annotation 4 HIS A 710
TYR A 773
VAL A 770
ASP A 583
 ATP  A1304 (-3.9A)
None
None
None
 1.49A 4eohB-2faqA:
undetectable		 4eohB-2faqA:
22.07
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.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		4 SER A 293
HIS A 344
TYR A 290
VAL A 438
 None
 1.22A 4eohB-2h4tA:
undetectable		 4eohB-2h4tA:
19.25
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.
2ib5 CHROMO PROTEIN

(Epiactis
japonica) 		PF01353
(GFP) 		4 SER A  83
TYR A  79
VAL A  67
ASP A  78
 None
None
CRQ  A  65 ( 4.8A)
None
 1.18A 4eohB-2ib5A:
undetectable		 4eohB-2ib5A:
20.38
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 594
TYR A 236
VAL A 214
ASP A 685
 None
 1.26A 4eohB-2iukA:
undetectable		 4eohB-2iukA:
17.31
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.
2qie MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2

(Staphylococcus
aureus) 		PF02391
(MoaE) 		4 SER A  77
HIS A  80
TYR A  16
VAL A  92
 None
 1.36A 4eohB-2qieA:
undetectable		 4eohB-2qieA:
18.91
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.
2w82 ORF18

(Enterococcus
faecalis) 		PF07275
(ArdA) 		4 SER A 155
HIS A 107
VAL A 116
ASP A 112
 None
 1.49A 4eohB-2w82A:
undetectable		 4eohB-2w82A:
18.39
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.
3cqo FBP32

(Morone
saxatilis) 		PF00754
(F5_F8_type_C) 		4 SER A 290
TYR A 146
VAL A   6
ASP A 293
 None
 1.49A 4eohB-3cqoA:
undetectable		 4eohB-3cqoA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fhx PYRIDOXAL KINASE

(Homo sapiens) 		PF08543
(Phos_pyr_kin) 		4 SER A  12
HIS A  46
TYR A  84
VAL A 231
 PXL  A 313 (-3.3A)
PXL  A 313 (-4.9A)
PXL  A 313 ( 4.6A)
SO4  A 314 ( 4.0A)
 0.24A 4eohB-3fhxA:
51.4		 4eohB-3fhxA:
99.68
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.
3i5t AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00202
(Aminotran_3) 		4 SER A 121
TYR A 153
VAL A 261
ASP A 258
 PLP  A 474 (-2.5A)
PLP  A 474 (-4.5A)
PLP  A 474 (-4.8A)
PLP  A 474 (-2.8A)
 1.19A 4eohB-3i5tA:
3.1		 4eohB-3i5tA:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 SER A   9
HIS A  43
TYR A  82
VAL A 219
ASP A 223
 None
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.4A)
 0.41A 4eohB-3pzsA:
40.2		 4eohB-3pzsA:
31.75
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 SER A 441
HIS A 438
TYR A 527
VAL A 486
 None
 1.30A 4eohB-3up4A:
2.6		 4eohB-3up4A:
19.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		4 SER A  11
HIS A  45
TYR A  84
ASP A 229
 None
None
None
ATP  A1301 ( 4.5A)
 0.79A 4eohB-3zs7A:
36.6		 4eohB-3zs7A:
39.56
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.
4bou OTU
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF02338
(OTU) 		4 HIS A 153
TYR A 183
VAL A 186
ASP A 184
 None
 1.18A 4eohB-4bouA:
undetectable		 4eohB-4bouA:
18.71
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.
4g56 HSL7 PROTEIN
MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40)
PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		4 SER A 265
HIS B 114
TYR B 112
VAL B 118
 None
 1.31A 4eohB-4g56A:
undetectable		 4eohB-4g56A:
18.24
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		4 SER B 152
HIS B 156
VAL B 160
ASP B 136
 None
 1.42A 4eohB-4g56B:
undetectable		 4eohB-4g56B:
23.54
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 SER A  90
HIS A  94
VAL A  98
ASP A  74
 None
 1.48A 4eohB-4j8bA:
undetectable		 4eohB-4j8bA:
23.86
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 SER A 139
HIS A 134
TYR A 137
VAL A 133
 None
 1.33A 4eohB-4ph9A:
undetectable		 4eohB-4ph9A:
19.34
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.
4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  90
TYR A  59
VAL A 212
ASP A 102
 None
 1.27A 4eohB-4r0iA:
undetectable		 4eohB-4r0iA:
20.36
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 SER L  54
HIS L  36
VAL S  89
ASP L  28
 None
 1.30A 4eohB-4u9iL:
undetectable		 4eohB-4u9iL:
20.55
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.
4zb1 BLUE CHROMOPROTEIN,
SGBP

(Stichodactyla
gigantea) 		PF01353
(GFP) 		4 SER A  82
TYR A  78
VAL A  66
ASP A  77
 None
None
CRQ  A  62 ( 4.8A)
None
 1.11A 4eohB-4zb1A:
undetectable		 4eohB-4zb1A:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		5 SER A  12
HIS A  46
TYR A  85
VAL A 221
ASP A 225
 TRS  A 301 (-3.1A)
None
TRS  A 301 (-4.3A)
None
MG  A 302 (-3.0A)
 0.40A 4eohB-5b6aA:
38.9		 4eohB-5b6aA:
31.76
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A 213
HIS A 136
TYR A 415
VAL A 140
 None
 1.34A 4eohB-5keiA:
2.9		 4eohB-5keiA:
20.46
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 SER A 116
TYR A 148
VAL A 258
ASP A 255
 PLP  A1001 (-2.6A)
PLP  A1001 (-4.5A)
PLP  A1001 (-4.3A)
PLP  A1001 (-2.4A)
 1.19A 4eohB-5lh9A:
3.7		 4eohB-5lh9A:
22.25
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 SER A 647
TYR A 644
VAL A 619
ASP A 621
 None
 1.50A 4eohB-5oljA:
undetectable		 4eohB-5oljA:
17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		4 SER A   9
HIS A  43
VAL A 217
ASP A 221
 None
 0.66A 4eohB-5tqiA:
37.5		 4eohB-5tqiA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		5 SER A  10
HIS A  44
TYR A  83
VAL A 218
ASP A 222
 None
 0.69A 4eohB-5trwA:
37.7		 4eohB-5trwA:
34.57