SIMILAR PATTERNS OF AMINO ACIDS FOR 4KRH_A_SAMA900_0

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.
1bbj IGG4-KAPPA B72.3 FAB
(LIGHT CHAIN)

(Homo sapiens;
Mus musculus) 		no annotation 5 GLY L 128
LEU L 181
SER L 131
ASP L 185
ALA L 184
 None
 0.96A 4krhA-1bbjL:
undetectable		 4krhA-1bbjL:
18.87
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 GLY Y 442
GLY Y 252
LEU Y 449
ALA Y 447
ILE Y   6
 None
 1.06A 4krhA-1gllY:
undetectable		 4krhA-1gllY:
23.58
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  22
SER A  46
ASP A  72
ILE A 123
 NAD  A1268 (-3.4A)
NAD  A1268 ( 4.1A)
None
NAD  A1268 (-3.5A)
NAD  A1268 ( 3.9A)
 0.78A 4krhA-1iy8A:
6.9		 4krhA-1iy8A:
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.
1ji0 ABC TRANSPORTER

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 GLY A 208
GLY A 220
SER A 223
ALA A 201
HIS A 206
 None
 1.11A 4krhA-1ji0A:
undetectable		 4krhA-1ji0A:
22.88
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 TYR A  16
GLY A  72
GLY A  74
LEU A  95
SER A  96
HIS A 141
 SAH  A1900 ( 4.2A)
SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.4A)
None
SAH  A1900 (-4.4A)
 0.73A 4krhA-1kphA:
27.7		 4krhA-1kphA:
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 TYR A  24
GLY A  80
GLY A  82
LEU A 103
SER A 104
HIS A 149
 SAH  A 900 ( 4.1A)
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
SAH  A 900 (-4.4A)
None
SAH  A 900 (-4.3A)
 0.77A 4krhA-1kpiA:
26.5		 4krhA-1kpiA:
19.53
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
LEU A  95
SER A  96
HIS A 141
 SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
SAH  A 900 (-4.1A)
None
SAH  A 900 ( 4.8A)
 0.81A 4krhA-1l1eA:
26.1		 4krhA-1l1eA:
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.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 PHE A 133
TYR A 119
SER A 126
CYH A  84
ILE A  88
 None
None
None
CYC  A 175 (-1.8A)
None
 1.09A 4krhA-1liaA:
undetectable		 4krhA-1liaA:
17.69
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
SER A  68
ASP A  94
ALA A  95
 None
 0.66A 4krhA-1nkvA:
19.2		 4krhA-1nkvA:
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		6 GLY A  45
GLY A  47
LEU A  67
ASP A  91
ALA A  92
ILE A 118
 None
 0.70A 4krhA-1qyrA:
7.4		 4krhA-1qyrA:
21.08
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.
1s3n HYPOTHETICAL PROTEIN
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		6 PHE A  46
GLY A   4
GLY A 151
ALA A  51
HIS A  33
ILE A  53
 None
 1.21A 4krhA-1s3nA:
undetectable		 4krhA-1s3nA:
17.23
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.
1s7j PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF FAMILY

(Enterococcus
faecalis) 		PF02567
(PhzC-PhzF) 		5 PHE A 186
GLY A 247
GLY A 248
HIS A 207
ILE A 211
 None
 1.02A 4krhA-1s7jA:
undetectable		 4krhA-1s7jA:
21.57
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 TYR A  16
GLY A  72
GLY A  74
LEU A  95
SER A  96
HIS A 141
 SAH  A1900 ( 4.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.3A)
None
16A  A1901 ( 4.2A)
 0.80A 4krhA-1tpyA:
27.5		 4krhA-1tpyA:
20.53
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
ASP A  93
ALA A  94
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.61A 4krhA-1ve3A:
18.9		 4krhA-1ve3A:
19.72
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		6 GLY A  52
LEU A  72
ASP A  98
ALA A  99
ARG A 115
HIS A 120
 None
 0.97A 4krhA-1vl5A:
12.6		 4krhA-1vl5A:
21.02
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 PHE C 810
GLY C 837
LEU C 798
SER C 795
ILE C 818
 None
 1.05A 4krhA-1wa5C:
undetectable		 4krhA-1wa5C:
19.46
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.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		5 PHE A 159
GLY A 351
GLY A 296
ARG A 293
ILE A 227
 None
 1.00A 4krhA-1zkdA:
10.9		 4krhA-1zkdA:
25.27
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.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  64
GLY A  66
LEU A  86
ASP A 113
ILE A 133
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-3.7A)
SAM  A4000 (-3.8A)
SAM  A4000 ( 4.5A)
 0.75A 4krhA-1zq9A:
12.9		 4krhA-1zq9A:
22.10
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.
2a87 THIOREDOXIN
REDUCTASE

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 GLY A  85
LEU A  38
ALA A 308
ARG A  78
ILE A 119
 None
 0.94A 4krhA-2a87A:
undetectable		 4krhA-2a87A:
20.99
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.
2ahd PHOSPHODIESTERASE
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		6 PHE A  46
GLY A   4
GLY A 151
ALA A  51
HIS A  33
ILE A  53
 None
 1.21A 4krhA-2ahdA:
undetectable		 4krhA-2ahdA:
16.19
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 TYR A   9
GLY A  50
GLY A  52
SER A  73
ALA A  93
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
 0.74A 4krhA-2avnA:
18.0		 4krhA-2avnA:
19.00
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		5 GLY A  46
GLY A  48
LEU A  70
ASP A  96
ALA A  97
 K  A 250 (-3.9A)
None
None
None
None
 1.01A 4krhA-2fcaA:
12.3		 4krhA-2fcaA:
20.00
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 GLY A 337
GLY A 335
SER A 370
ASP A 247
ALA A 245
 None
 0.90A 4krhA-2hg4A:
undetectable		 4krhA-2hg4A:
19.09
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
SER A  87
ASP A 142
CYH A 165
 SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.7A)
SAH  A4001 (-3.7A)
SAH  A4001 ( 3.8A)
 0.51A 4krhA-2iipA:
16.0		 4krhA-2iipA:
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 340
GLY A 338
SER A 373
ASP A 250
ALA A 248
 None
 1.05A 4krhA-2qo3A:
2.6		 4krhA-2qo3A:
18.57
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.
2rkq PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-SD

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 GLY A 113
GLY A  46
ALA A 110
ARG A 118
ILE A  80
 None
 1.05A 4krhA-2rkqA:
undetectable		 4krhA-2rkqA:
18.02
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 TYR A 141
GLY A  98
GLY A 102
ASP A 136
ALA A  95
 None
CX9  A1398 (-3.5A)
None
None
None
 1.00A 4krhA-2ybuA:
2.5		 4krhA-2ybuA:
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 TYR A 280
GLY A 316
GLY A 318
LEU A 335
ASP A 346
 None
SAH  A 900 (-3.5A)
SAH  A 900 ( 3.7A)
SAH  A 900 (-4.2A)
SAH  A 900 (-3.6A)
 0.91A 4krhA-2zfuA:
11.1		 4krhA-2zfuA:
20.32
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
LEU A  73
SER A  74
ASP A  96
 None
 0.62A 4krhA-3bkwA:
18.3		 4krhA-3bkwA:
20.70
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		5 GLY A 204
ALA A 213
CYH A 163
HIS A 140
ILE A 139
 None
 1.05A 4krhA-3bptA:
undetectable		 4krhA-3bptA:
21.73
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		6 GLY A  69
GLY A  71
SER A  93
ASP A 119
ALA A 120
HIS A 141
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
None
SAH  A 274 (-3.6A)
SAH  A 274 (-3.5A)
SAH  A 274 (-4.0A)
 0.81A 4krhA-3busA:
25.2		 4krhA-3busA:
19.55
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
LEU A  61
SER A  62
ASP A  86
 None
 0.61A 4krhA-3d2lA:
17.9		 4krhA-3d2lA:
18.51
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.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLY A  71
GLY A  73
ASP A 121
ALA A 122
ILE A 156
 None
 0.85A 4krhA-3dxxA:
12.4		 4krhA-3dxxA:
19.36
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.
3e23 UNCHARACTERIZED
PROTEIN RPA2492

(Rhodopseudomonas
palustris) 		PF08241
(Methyltransf_11) 		6 TYR A  17
GLY A  51
GLY A  53
SER A  74
CYH A 111
HIS A 114
 SAM  A 221 (-3.8A)
SAM  A 221 (-4.0A)
SAM  A 221 (-3.2A)
SAM  A 221 (-4.6A)
SAM  A 221 (-4.8A)
SAM  A 221 (-4.3A)
 0.83A 4krhA-3e23A:
19.5		 4krhA-3e23A:
20.52
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLY A  43
SER A  64
ALA A  84
HIS A 105
 EDO  A 261 (-3.2A)
EDO  A 261 ( 3.9A)
None
None
EDO  A 261 ( 4.6A)
 0.91A 4krhA-3egeA:
16.2		 4krhA-3egeA:
20.20
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 GLY A 201
LEU A 249
ASP A 276
ALA A 277
ARG A  48
 None
 1.11A 4krhA-3euaA:
3.8		 4krhA-3euaA:
20.26
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
ASP A  84
ALA A  85
ILE A 106
 None
 0.85A 4krhA-3fydA:
8.6		 4krhA-3fydA:
21.52
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
LEU A  69
SER A  70
CYH A 122
 SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.1A)
SAH  A 308 (-4.8A)
SAH  A 308 (-4.8A)
 0.95A 4krhA-3g5tA:
14.9		 4krhA-3g5tA:
22.60
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
ASP A  84
ALA A  85
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 ( 4.4A)
 0.80A 4krhA-3gryA:
13.5		 4krhA-3gryA:
23.39
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		5 PHE A  83
GLY A 235
GLY A  95
SER A 222
ARG A 233
 None
None
LLP  A 227 ( 3.2A)
None
None
 1.08A 4krhA-3h7fA:
2.8		 4krhA-3h7fA:
22.72
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.
3hzr TRYPTOPHANYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00579
(tRNA-synt_1b) 		5 GLY A 307
GLY A 295
LEU A 340
SER A 342
CYH A 309
 None
 1.09A 4krhA-3hzrA:
2.8		 4krhA-3hzrA:
20.49
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 TYR A  14
GLY A  60
LEU A  80
SER A  81
ASP A 101
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
SAH  A 263 (-3.8A)
SAH  A 263 (-4.7A)
SAH  A 263 (-3.5A)
 0.58A 4krhA-3px2A:
17.4		 4krhA-3px2A:
21.33
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 PHE A 151
GLY A 139
GLY A 162
ALA A 143
ARG A 103
 None
 0.80A 4krhA-3q3cA:
5.2		 4krhA-3q3cA:
21.83
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.
3qef BETA-XYLOSIDASE/ALPH
A-L-ARABINFURANOSIDA
SE, GLY43N

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 PHE A  95
GLY A 136
GLY A 141
ASP A 145
ALA A 146
 None
 1.03A 4krhA-3qefA:
undetectable		 4krhA-3qefA:
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 151
GLY A 317
LEU A 148
ARG A 339
ILE A 125
 None
 1.06A 4krhA-3u9sA:
2.9		 4krhA-3u9sA:
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		6 GLY A  46
GLY A  48
LEU A  72
ASP A  94
ALA A  95
ILE A 122
 None
 0.93A 4krhA-3uzuA:
11.5		 4krhA-3uzuA:
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.
3wlw ANTIBODY L CHAIN

(Homo sapiens) 		no annotation 5 GLY L 131
LEU L 184
SER L 134
ASP L 188
ALA L 187
 None
 1.09A 4krhA-3wlwL:
undetectable		 4krhA-3wlwL:
19.30
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		6 PHE A 362
TYR A 419
GLY A 427
LEU A 424
SER A 422
ILE A 220
 None
 1.43A 4krhA-3zx2A:
undetectable		 4krhA-3zx2A:
21.75
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 384
LEU A 152
SER A 151
ARG A  90
CYH A  92
 None
EDO  A1397 (-4.0A)
None
None
None
 1.00A 4krhA-4c2kA:
undetectable		 4krhA-4c2kA:
22.11
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  35
GLY A  37
SER A  61
ASP A  86
ILE A 136
 NAP  A 401 (-3.5A)
NAP  A 401 ( 4.9A)
NAP  A 401 (-4.4A)
NAP  A 401 (-3.2A)
NAP  A 401 (-3.8A)
 0.85A 4krhA-4fc7A:
7.0		 4krhA-4fc7A:
22.80
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 GLY A 608
GLY A 584
LEU A 502
SER A 501
ILE A 622
 None
 1.11A 4krhA-4fwgA:
2.4		 4krhA-4fwgA:
21.73
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.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 GLY A  52
GLY A  21
ASP A  55
ALA A 102
ILE A 288
 None
 1.01A 4krhA-4gulA:
undetectable		 4krhA-4gulA:
20.93
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.
4ht1 CHIMERIC ANTIBODY
FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L 132
LEU L 185
SER L 135
ASP L 189
ALA L 188
 None
 0.99A 4krhA-4ht1L:
undetectable		 4krhA-4ht1L:
17.66
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
LEU B  74
SER B  75
ALA B 102
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-4.7A)
SAM  B 301 (-3.7A)
 0.69A 4krhA-4htfB:
12.3		 4krhA-4htfB:
21.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		12 PHE A 178
TYR A 187
GLY A 232
GLY A 234
LEU A 255
SER A 256
ASP A 281
ALA A 282
ARG A 298
CYH A 300
HIS A 303
ILE A 304
 None
SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.3A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-3.4A)
SAH  A 501 (-4.0A)
SAH  A 501 ( 4.5A)
 0.40A 4krhA-4ineA:
57.0		 4krhA-4ineA:
53.38
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ASP A 108
ARG A 125
HIS A 130
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.9A)
 0.46A 4krhA-4iv8A:
32.6		 4krhA-4iv8A:
23.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		12 PHE A 174
TYR A 183
GLY A 228
GLY A 230
LEU A 251
SER A 252
ASP A 277
ALA A 278
ARG A 294
CYH A 296
HIS A 299
ILE A 300
 SAH  A 701 ( 4.8A)
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
SAH  A 701 (-4.5A)
 0.24A 4krhA-4kriA:
63.5		 4krhA-4kriA:
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.
4m9c BACTERIAL
TRANSFERASE
HEXAPEPTIDE (THREE
REPEATS) FAMILY
PROTEIN

(Acinetobacter
baumannii) 		PF00132
(Hexapep) 		5 GLY A 156
LEU A 181
CYH A 140
HIS A 159
ILE A 160
 None
 0.80A 4krhA-4m9cA:
undetectable		 4krhA-4m9cA:
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		6 TYR A  16
GLY A  60
GLY A  62
ASP A 107
ARG A 124
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.9A)
 0.52A 4krhA-4mwzA:
35.0		 4krhA-4mwzA:
22.48
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		6 GLY A  47
GLY A  49
LEU A  69
SER A  70
ASP A  94
ALA A  95
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 4.8A)
SAH  A 401 ( 3.6A)
SAH  A 401 (-3.2A)
 0.61A 4krhA-4necA:
16.7		 4krhA-4necA:
21.38
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		6 TYR A   9
GLY A  47
LEU A  69
SER A  70
ASP A  94
ALA A  95
 SAH  A 401 (-4.4A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 4.8A)
SAH  A 401 ( 3.6A)
SAH  A 401 (-3.2A)
 1.20A 4krhA-4necA:
16.7		 4krhA-4necA:
21.38
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.
4npa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 GLY A 202
LEU A 181
ALA A 328
ARG A 170
ILE A 255
 None
 1.09A 4krhA-4npaA:
undetectable		 4krhA-4npaA:
21.34
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		6 TYR A  23
GLY A  80
GLY A  82
SER A 104
ASP A 130
ALA A 131
 SAH  A 301 (-3.0A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.9A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.5A)
 0.57A 4krhA-4pneA:
25.5		 4krhA-4pneA:
21.57
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 TYR A 352
GLY A 238
GLY A 347
LEU A  11
ASP A  88
ALA A  85
 None
 1.32A 4krhA-4qavA:
undetectable		 4krhA-4qavA:
23.44
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 TYR B  14
GLY B  55
GLY B  57
SER B  79
ASP B  99
 None
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-3.7A)
 0.66A 4krhA-4qtuB:
19.1		 4krhA-4qtuB:
20.05
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		6 TYR A  19
GLY A  63
GLY A  65
ASP A 110
ARG A 127
HIS A 132
 SAH  A 302 ( 4.1A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.6A)
None
SAH  A 302 (-4.3A)
 0.49A 4krhA-4r6wA:
37.7		 4krhA-4r6wA:
21.92
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PHE A 140
GLY A 273
GLY A 275
ALA A 222
ILE A 268
 None
 1.07A 4krhA-4s17A:
undetectable		 4krhA-4s17A:
20.50
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLY A1696
GLY A1698
LEU A1720
ASP A1755
ALA A1756
 None
 0.63A 4krhA-4uclA:
7.6		 4krhA-4uclA:
23.33
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  14
SER A  38
ASP A  62
ILE A 113
 None
 0.75A 4krhA-4ureA:
3.5		 4krhA-4ureA:
22.54
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		5 GLY A 135
GLY A 131
ASP A 154
HIS A 109
ILE A 106
 None
 0.95A 4krhA-4wu0A:
undetectable		 4krhA-4wu0A:
22.57
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 GLY A  45
GLY A  47
SER A  69
ASP A  95
ALA A  96
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.4A)
 0.62A 4krhA-5bp7A:
18.1		 4krhA-5bp7A:
22.15
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		6 GLY Z  64
GLY Z  66
SER Z  85
ASP Z 105
ALA Z 106
HIS Z 127
 None
 1.10A 4krhA-5cm2Z:
15.7		 4krhA-5cm2Z:
16.51
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.
5dlc PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF03740
(PdxJ) 		5 TYR A 170
GLY A 203
GLY A 205
LEU A 165
ILE A 220
 None
None
PO4  A 301 (-3.8A)
None
None
 1.01A 4krhA-5dlcA:
undetectable		 4krhA-5dlcA:
20.14
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 GLY A  68
GLY A  70
SER A  93
ALA A 114
CYH A 133
 SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.8A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 4.4A)
 0.88A 4krhA-5dlyA:
16.0		 4krhA-5dlyA:
19.50
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		6 GLY A  44
GLY A  46
LEU A  67
SER A  68
ASP A  94
ALA A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.8A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.6A)
 0.72A 4krhA-5epeA:
17.8		 4krhA-5epeA:
19.86
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 TYR A  84
GLY A 123
GLY A 125
SER A 148
ALA A 174
 SAH  A 409 ( 3.6A)
SAH  A 409 (-3.0A)
SAH  A 409 ( 3.7A)
SAH  A 409 ( 4.2A)
SAH  A 409 (-3.9A)
 0.77A 4krhA-5fubA:
9.7		 4krhA-5fubA:
22.77
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		6 GLY A  85
GLY A  87
SER A 109
ASP A 135
ALA A 136
HIS A 157
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.3A)
 0.63A 4krhA-5gm2A:
24.1		 4krhA-5gm2A:
24.15
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLY b 371
GLY b 201
SER b 204
ALA b 380
ILE b 165
 None
 0.96A 4krhA-5gw5b:
undetectable		 4krhA-5gw5b:
21.72
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLY e 410
GLY e 232
SER e 235
ALA e 419
ILE e 192
 None
 1.00A 4krhA-5gw5e:
undetectable		 4krhA-5gw5e:
23.76
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.
5i8o HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L 131
LEU L 184
SER L 134
ASP L 188
ALA L 187
 None
 1.06A 4krhA-5i8oL:
undetectable		 4krhA-5i8oL:
19.67
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.
5l75 LIPOPOLYSACCHARIDE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
LPTB

(Klebsiella
pneumoniae) 		PF00005
(ABC_tran)
PF12399
(BCA_ABC_TP_C) 		5 PHE A 165
GLY A  33
ARG A 206
CYH A 204
ILE A 180
 None
 0.79A 4krhA-5l75A:
2.5		 4krhA-5l75A:
21.72
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.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 PHE A 196
GLY A 483
GLY A 481
LEU A 183
ALA A 293
 None
 0.98A 4krhA-5lhkA:
undetectable		 4krhA-5lhkA:
21.03
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLY A  67
LEU A  92
SER A  93
ASP A 119
ALA A 120
 SAH  A1001 (-3.5A)
SAH  A1001 (-4.1A)
None
SAH  A1001 (-3.8A)
SAH  A1001 (-3.4A)
 0.83A 4krhA-5logA:
13.5		 4krhA-5logA:
21.49
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		6 GLY A  49
LEU A  71
SER A  72
ASP A  96
ALA A  97
ARG A 116
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.9A)
 0.76A 4krhA-5m58A:
18.6		 4krhA-5m58A:
19.95
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		6 PHE A 267
GLY A 235
GLY A 213
LEU A 248
ARG A 233
ILE A 279
 None
 1.48A 4krhA-5m60A:
undetectable		 4krhA-5m60A:
21.28
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		6 GLY A  49
LEU A  71
SER A  72
ASP A  96
ALA A  97
ARG A 116
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 3.9A)
 0.76A 4krhA-5mgzA:
18.7		 4krhA-5mgzA:
18.99
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.
5nc8 POTASSIUM EFFLUX
SYSTEM PROTEIN

(Shewanella
denitrificans) 		PF02254
(TrkA_N) 		5 GLY A 413
GLY A 415
ASP A 456
ALA A 457
ILE A 487
 AMP  A2401 ( 3.8A)
AMP  A2401 (-3.3A)
AMP  A2401 (-3.4A)
AMP  A2401 (-3.4A)
None
 1.10A 4krhA-5nc8A:
4.4		 4krhA-5nc8A:
20.00
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 GLY A 412
GLY A 415
LEU A 130
SER A 127
HIS A 132
 None
 1.03A 4krhA-5nvaA:
undetectable		 4krhA-5nvaA:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 GLY A 240
GLY A 237
ALA A 251
ARG A 159
ILE A 245
 None
PEG  A 408 ( 4.1A)
None
None
None
 0.99A 4krhA-5o25A:
2.5		 4krhA-5o25A:
21.48
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  11
LEU A  34
ASP A  61
ALA A  62
 None
 0.87A 4krhA-5o3zA:
2.9		 4krhA-5o3zA:
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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		6 GLY A  14
GLY A  17
LEU A  39
ASP A  63
ALA A  64
ILE A 113
 NAD  A 300 ( 3.8A)
NAD  A 300 (-3.3A)
NAD  A 300 (-4.0A)
NAD  A 300 (-3.5A)
NAD  A 300 (-3.4A)
NAD  A 300 ( 4.1A)
 1.28A 4krhA-5t5qA:
4.8		 4krhA-5t5qA:
23.17
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 5 TYR A 245
GLY A 283
GLY A 264
ALA A 278
HIS A 286
 None
 1.06A 4krhA-5uytA:
undetectable		 4krhA-5uytA:
20.72
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 TYR A 484
GLY A 542
GLY A 544
SER A 565
ALA A 593
 SAH  A1002 ( 3.8A)
SAH  A1002 (-3.7A)
SAH  A1002 (-3.4A)
SAH  A1002 ( 4.9A)
SAH  A1002 (-3.6A)
 0.85A 4krhA-5wmmA:
16.8		 4krhA-5wmmA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 10 PHE A 237
TYR A 246
GLY A 290
GLY A 292
LEU A 313
SER A 314
ASP A 338
ARG A 355
HIS A 360
ILE A 361
 None
SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
None
 0.61A 4krhA-5wp4A:
39.2		 4krhA-5wp4A:
33.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 8 GLY A 290
GLY A 292
LEU A 313
SER A 314
ASP A 338
ARG A 355
HIS A 360
ILE A 361
 SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.9A)
None
SAH  A 501 (-3.4A)
None
SAH  A 501 (-4.0A)
None
 0.66A 4krhA-5wp5A:
31.8		 4krhA-5wp5A:
32.12
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.
5wuq ECF RNA POLYMERASE
SIGMA FACTOR SIGW
ANTI-SIGMA-W FACTOR
RSIW

(Bacillus
subtilis;
Bacillus
subtilis) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
PF13490
(zf-HC2) 		5 PHE C  63
ALA A  52
ARG A 142
CYH A  35
ILE A  31
 None
 1.11A 4krhA-5wuqC:
undetectable		 4krhA-5wuqC:
10.70
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 TYR A 648
GLY A 605
GLY A 609
ASP A 643
ALA A 602
 NAG  A1004 (-4.7A)
NAG  A1003 (-3.5A)
None
None
None
 1.05A 4krhA-5wvgA:
2.3		 4krhA-5wvgA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 164
GLY A 162
CYH A 158
HIS A 157
ILE A 156
 None
 0.99A 4krhA-5y8pA:
4.3		 4krhA-5y8pA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 TYR A  81
GLY A 137
GLY A 139
ASP A 187
HIS A 208
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-4.2A)
SAH  A 501 ( 4.6A)
 0.74A 4krhA-6gkvA:
23.4		 4krhA-6gkvA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 TYR A  81
GLY A 137
GLY A 139
SER A 162
ASP A 187
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
None
SAH  A 501 (-4.2A)
 0.94A 4krhA-6gkvA:
23.4		 4krhA-6gkvA:
undetectable