SIMILAR PATTERNS OF AMINO ACIDS FOR 1RUM_H_BEZH1601

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.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A   4
TYR A  83
LEU A   5
GLY A  30
GLY A   8
 None
 1.37A 1rumH-1db3A:
undetectable
1rumL-1db3A:
0.0		 1rumH-1db3A:
19.95
1rumL-1db3A:
19.58
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.
1sb7 TRNA PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF01142
(TruD) 		5 ALA A 326
ASN A 129
TRP A 323
LEU A 126
GLY A  34
 None
 1.43A 1rumH-1sb7A:
0.0
1rumL-1sb7A:
1.8		 1rumH-1sb7A:
19.95
1rumL-1sb7A:
18.75
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 ALA P 138
TYR P  82
LEU P 140
GLY P 116
GLY P  68
 None
 1.40A 1rumH-1svcP:
6.0
1rumL-1svcP:
3.5		 1rumH-1svcP:
21.74
1rumL-1svcP:
18.77
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		5 ALA A  13
LEU A  31
TRP A  29
GLY A  17
TYR A  28
 None
 1.30A 1rumH-1x2bA:
0.0
1rumL-1x2bA:
undetectable		 1rumH-1x2bA:
19.75
1rumL-1x2bA:
21.17
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.
1xhs HYPOTHETICAL UPF0131
PROTEIN YTFP

(Escherichia
coli) 		PF06094
(GGACT) 		5 ALA A  44
LEU A  35
GLY A 106
TRP A 108
GLY A  53
 None
 1.16A 1rumH-1xhsA:
undetectable
1rumL-1xhsA:
undetectable		 1rumH-1xhsA:
19.82
1rumL-1xhsA:
19.91
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.
2agm POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind)
PF08548
(Peptidase_M10_C) 		5 ALA A 128
TYR A 112
LEU A 129
GLY A 131
GLY A 108
 None
 1.25A 1rumH-2agmA:
undetectable
1rumL-2agmA:
undetectable		 1rumH-2agmA:
20.66
1rumL-2agmA:
22.62
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ALA A 227
ASN A 228
LEU A 225
GLY A 198
GLY A 329
 None
 1.18A 1rumH-2cunA:
undetectable
1rumL-2cunA:
0.0		 1rumH-2cunA:
18.50
1rumL-2cunA:
19.28
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ALA A 959
TYR A 825
GLY A 818
GLY A 865
TYR A 821
 None
 1.10A 1rumH-2fgeA:
1.2
1rumL-2fgeA:
1.0		 1rumH-2fgeA:
12.78
1rumL-2fgeA:
13.13
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.
3e48 PUTATIVE
NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Staphylococcus
aureus) 		PF13460
(NAD_binding_10) 		5 ALA A 249
ASN A 113
LEU A 254
GLY A 253
TYR A 107
 None
 1.10A 1rumH-3e48A:
undetectable
1rumL-3e48A:
undetectable		 1rumH-3e48A:
18.95
1rumL-3e48A:
20.82
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.
3f59 ANKYRIN-1

(Homo sapiens) 		PF00791
(ZU5) 		5 ALA A 977
TYR A1062
LEU A 978
GLY A 979
GLY A 982
 None
 1.19A 1rumH-3f59A:
undetectable
1rumL-3f59A:
undetectable		 1rumH-3f59A:
21.00
1rumL-3f59A:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g5y 175 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B  34
ASN B  36
TRP B  48
TYR B  51
GLY B 100
 None
 0.80A 1rumH-3g5yB:
29.1
1rumL-3g5yB:
14.9		 1rumH-3g5yB:
90.87
1rumL-3g5yB:
27.43
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.
4ge0 UNCHARACTERIZED
PROTEIN C22E12.03C

(Schizosaccharomyces
pombe) 		PF01965
(DJ-1_PfpI) 		5 ALA A 117
TYR A 142
LEU A 115
GLY A 113
GLY A 129
 None
 1.48A 1rumH-4ge0A:
undetectable
1rumL-4ge0A:
undetectable		 1rumH-4ge0A:
23.14
1rumL-4ge0A:
21.89
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 ALA A 346
ASN A 312
LEU A 345
GLY A 344
GLY A 293
 None
 1.29A 1rumH-4r27A:
undetectable
1rumL-4r27A:
undetectable		 1rumH-4r27A:
18.45
1rumL-4r27A:
19.77
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.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Pectobacterium
atrosepticum) 		PF13416
(SBP_bac_8) 		5 ALA A 376
ASN A 373
LEU A 375
GLY A 352
GLY A 348
 None
 1.40A 1rumH-4ry1A:
undetectable
1rumL-4ry1A:
undetectable		 1rumH-4ry1A:
18.80
1rumL-4ry1A:
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.
4zwn MONOGLYCERIDE LIPASE

(Saccharomyces
cerevisiae) 		PF12146
(Hydrolase_4) 		5 ALA A 133
TYR A 145
LEU A 130
GLY A 127
GLY A 121
 None
 1.25A 1rumH-4zwnA:
undetectable
1rumL-4zwnA:
undetectable		 1rumH-4zwnA:
18.34
1rumL-4zwnA:
21.43
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 165
LEU A 410
GLY A 408
GLY A 403
TYR A 326
 None
 0.95A 1rumH-5eb5A:
undetectable
1rumL-5eb5A:
1.2		 1rumH-5eb5A:
18.71
1rumL-5eb5A:
18.22
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.
5ex1 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN TYPE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		5 ALA A 152
TYR A 167
LEU A 151
GLY A 184
GLY A 149
 None
 1.39A 1rumH-5ex1A:
undetectable
1rumL-5ex1A:
undetectable		 1rumH-5ex1A:
18.82
1rumL-5ex1A:
21.30
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		5 ASN A 266
LEU A 272
GLY A 279
GLY A 218
TYR A 213
 None
None
BR  A1634 (-4.4A)
None
None
 1.38A 1rumH-5fqeA:
3.3
1rumL-5fqeA:
4.8		 1rumH-5fqeA:
17.64
1rumL-5fqeA:
16.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.06A 1rumH-5gruL:
23.0
1rumL-5gruL:
15.0		 1rumH-5gruL:
52.94
1rumL-5gruL:
25.10
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  48
TYR A  60
LEU A  45
GLY A  42
GLY A  62
 None
 1.48A 1rumH-5ulvA:
undetectable
1rumL-5ulvA:
undetectable		 1rumH-5ulvA:
20.82
1rumL-5ulvA:
19.52
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.
5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Clostridium
beijerinckii) 		PF13407
(Peripla_BP_4) 		5 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.13A 1rumH-5xsjX:
undetectable
1rumL-5xsjX:
undetectable		 1rumH-5xsjX:
20.92
1rumL-5xsjX:
20.45
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.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22

(Homo sapiens) 		no annotation 5 ASN A 574
LEU A 604
GLY A 637
GLY A 649
TYR A 650
 None
 1.33A 1rumH-5y31A:
undetectable
1rumL-5y31A:
undetectable		 1rumH-5y31A:
undetectable
1rumL-5y31A:
undetectable
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.
6feq 5D3(FAB) HEAVY CHAIN
VARIABLE DOMAIN

(Mus musculus) 		no annotation 5 ALA D  34
ASN D  36
TRP D  48
TYR D  51
GLY D 101
 None
 1.20A 1rumH-6feqD:
21.7
1rumL-6feqD:
14.5		 1rumH-6feqD:
undetectable
1rumL-6feqD:
undetectable
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.
6feq 5D3(FAB) HEAVY CHAIN
VARIABLE DOMAIN

(Mus musculus) 		no annotation 5 ALA D  34
ASN D  36
TRP D  48
TYR D  51
GLY D 104
 None
 1.04A 1rumH-6feqD:
21.7
1rumL-6feqD:
14.5		 1rumH-6feqD:
undetectable
1rumL-6feqD:
undetectable
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.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE

(Homo sapiens) 		no annotation 5 ALA B  26
TYR B 106
LEU B  27
GLY B  52
GLY B  30
 None
None
None
None
NAP  B 403 (-3.1A)
 1.32A 1rumH-6gplB:
undetectable
1rumL-6gplB:
undetectable		 1rumH-6gplB:
undetectable
1rumL-6gplB:
undetectable