SIMILAR PATTERNS OF AMINO ACIDS FOR 4KRH_B_SAMB900_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.
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 4krhB-1gllY:
undetectable		 4krhB-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.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE

([Bacillus]
caldolyticus) 		PF14681
(UPRTase) 		5 GLY A  81
GLY A  83
ARG A  79
HIS A  99
ILE A 100
 None
 1.15A 4krhB-1i5eA:
3.4		 4krhB-1i5eA:
19.51
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		5 TYR A 282
PHE A  85
GLY A 313
GLY A 310
ILE A 259
 PLP  A 401 ( 3.6A)
None
None
PLP  A 401 (-3.6A)
None
 1.08A 4krhB-1j0aA:
2.2		 4krhB-1j0aA:
23.08
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.
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
 1.14A 4krhB-1ji0A:
2.1		 4krhB-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)
 0.74A 4krhB-1kphA:
27.8		 4krhB-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)
 0.76A 4krhB-1kpiA:
26.8		 4krhB-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)
 0.76A 4krhB-1l1eA:
26.2		 4krhB-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
 1.15A 4krhB-1liaA:
undetectable		 4krhB-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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLY A  45
GLY A  47
LEU A  67
ALA A  92
ILE A 118
 None
 0.62A 4krhB-1qyrA:
7.4		 4krhB-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 4krhB-1s3nA:
2.9		 4krhB-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.
1s3n HYPOTHETICAL PROTEIN
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		6 PHE A  46
PHE A 126
GLY A   4
GLY A 151
ALA A  51
ILE A  53
 None
 1.14A 4krhB-1s3nA:
2.9		 4krhB-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
 1.06A 4krhB-1s7jA:
undetectable		 4krhB-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)
 0.81A 4krhB-1tpyA:
27.6		 4krhB-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.
1upn ECHOVIRUS 11 COAT
PROTEIN VP3

(Enterovirus B) 		PF00073
(Rhv) 		5 PHE C 130
GLY C 122
ALA C 126
CYH C 208
ILE C 198
 None
 1.15A 4krhB-1upnC:
undetectable		 4krhB-1upnC:
19.82
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		5 GLY A  52
LEU A  72
ALA A  99
ARG A 115
HIS A 120
 None
 0.86A 4krhB-1vl5A:
13.0		 4krhB-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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		6 GLY A 169
GLY A 157
SER A 155
ALA A  48
ARG A  20
ILE A   2
 CL  A 301 ( 4.5A)
None
None
None
None
None
 1.40A 4krhB-1vq0A:
undetectable		 4krhB-1vq0A:
20.95
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.
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
 1.15A 4krhB-1wa5C:
undetectable		 4krhB-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
 0.97A 4krhB-1zkdA:
11.3		 4krhB-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.
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
 0.99A 4krhB-2a87A:
undetectable		 4krhB-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
 1.22A 4krhB-2ahdA:
2.3		 4krhB-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.
2ahd PHOSPHODIESTERASE
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		6 PHE A  46
PHE A 126
GLY A   4
GLY A 151
ALA A  51
ILE A  53
 None
 1.13A 4krhB-2ahdA:
2.3		 4krhB-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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 PHE B 213
GLY B 271
LEU B 202
ALA B 273
ILE B 300
 None
 1.12A 4krhB-2amcB:
undetectable		 4krhB-2amcB:
19.80
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.
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)
 0.75A 4krhB-2avnA:
18.4		 4krhB-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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		5 GLY A 229
GLY A 253
LEU A 250
ALA A 233
ILE A 149
 NDP  A 482 (-3.5A)
None
OCS  A 249 ( 3.7A)
NDP  A 482 (-3.2A)
NDP  A 482 (-4.1A)
 1.12A 4krhB-2iluA:
4.8		 4krhB-2iluA:
22.69
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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima;
Thermotoga
maritima) 		PF01680
(SOR_SNZ)
PF01174
(SNO) 		5 PHE A  14
GLY D  10
GLY D  46
LEU D   6
HIS D  15
 None
 1.13A 4krhB-2issA:
undetectable		 4krhB-2issA:
21.85
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471

(Haemophilus
influenzae) 		PF01032
(FecCD) 		5 PHE A 204
GLY A  80
LEU A 265
HIS A  95
ILE A  96
 None
 1.01A 4krhB-2nq2A:
undetectable		 4krhB-2nq2A:
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.
2ock VALACYCLOVIR
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 PHE A 185
GLY A  51
GLY A  54
LEU A  49
ILE A 126
 None
 0.98A 4krhB-2ockA:
2.9		 4krhB-2ockA:
20.09
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 PHE A 156
GLY A 144
GLY A 173
ALA A 148
ILE A  98
 None
 1.10A 4krhB-2p4qA:
3.6		 4krhB-2p4qA:
23.30
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.
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
 1.06A 4krhB-2rkqA:
undetectable		 4krhB-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.
2v3c SIGNAL RECOGNITION
54 KDA PROTEIN

(Methanocaldococcus
jannaschii) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 PHE C 289
GLY C 221
GLY C 224
LEU C 259
SER C 260
 None
 1.05A 4krhB-2v3cC:
3.9		 4krhB-2v3cC:
21.77
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 PHE A 289
PHE A 207
GLY A 265
GLY A 204
ILE A 286
 None
 1.07A 4krhB-2yzmA:
2.5		 4krhB-2yzmA:
22.70
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		5 TYR A 127
GLY A 193
GLY A 189
SER A 144
ALA A 158
 GA4  A 345 (-4.7A)
None
None
None
None
 1.15A 4krhB-2zsiA:
3.1		 4krhB-2zsiA:
23.23
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
SER A  93
ALA A 120
HIS A 141
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
None
SAH  A 274 (-3.5A)
SAH  A 274 (-4.0A)
 0.73A 4krhB-3busA:
25.5		 4krhB-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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 TYR A  57
LEU A  62
SER A  61
ALA A 330
ARG A 316
 None
None
None
None
TLA  A 999 ( 4.0A)
 1.16A 4krhB-3dmeA:
3.3		 4krhB-3dmeA:
22.00
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 TYR A  57
LEU A  62
SER A  61
ARG A 316
ILE A 359
 None
None
None
TLA  A 999 ( 4.0A)
None
 1.15A 4krhB-3dmeA:
3.3		 4krhB-3dmeA:
22.00
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.
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)
 0.79A 4krhB-3e23A:
19.5		 4krhB-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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		5 TYR A 134
GLY A 200
GLY A 196
SER A 151
ALA A 165
 GA4  A 401 (-4.8A)
None
None
None
None
 1.11A 4krhB-3eblA:
3.3		 4krhB-3eblA:
24.34
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.
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)
 0.82A 4krhB-3egeA:
10.8		 4krhB-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.
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)
 0.92A 4krhB-3g5tA:
15.0		 4krhB-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.
3gnn NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Burkholderia
pseudomallei) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 TYR A 288
GLY A  67
LEU A 123
ALA A 158
CYH A  66
 None
 1.15A 4krhB-3gnnA:
undetectable		 4krhB-3gnnA:
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.
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
 1.09A 4krhB-3h7fA:
4.3		 4krhB-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 4krhB-3hzrA:
2.9		 4krhB-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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 PHE A 106
GLY A 119
GLY A  95
SER A 100
ILE A 138
 None
 1.09A 4krhB-3ingA:
undetectable		 4krhB-3ingA:
23.03
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 PHE A 462
GLY A 300
SER A 311
ALA A 411
ILE A  21
 None
 1.10A 4krhB-3iuuA:
2.7		 4krhB-3iuuA:
23.38
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 PHE A 462
GLY A 307
SER A 311
ALA A 411
ILE A  21
 None
 1.09A 4krhB-3iuuA:
2.7		 4krhB-3iuuA:
23.38
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 PHE A 172
GLY A 110
LEU A  33
ALA A  35
HIS A 253
 None
None
None
None
MN  A 601 ( 3.5A)
 1.12A 4krhB-3iveA:
undetectable		 4krhB-3iveA:
21.63
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 PHE A  95
GLY A 173
LEU A 178
ALA A 295
ILE A 481
 None
 1.06A 4krhB-3kzwA:
undetectable		 4krhB-3kzwA:
22.32
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.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		5 TYR A 207
GLY A 236
GLY A 241
ALA A 145
HIS A 139
 None
 0.99A 4krhB-3pg5A:
2.0		 4krhB-3pg5A:
23.80
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 GLY A 267
GLY A 263
SER A  42
ALA A  50
ILE A 137
 None
 1.09A 4krhB-3pl2A:
2.8		 4krhB-3pl2A:
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.
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
 0.78A 4krhB-3q3cA:
5.1		 4krhB-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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 5 PHE A 490
GLY A  77
ALA A 156
ARG A  95
ILE A 158
 None
 1.04A 4krhB-3sbqA:
undetectable		 4krhB-3sbqA:
21.97
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
 1.05A 4krhB-3u9sA:
2.6		 4krhB-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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 PHE A  19
GLY A  91
GLY A  57
ALA A  96
ILE A 195
 None
 1.04A 4krhB-3uowA:
2.6		 4krhB-3uowA:
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  46
GLY A  48
LEU A  72
ALA A  95
ILE A 122
 None
 0.92A 4krhB-3uzuA:
11.3		 4krhB-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.
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 4krhB-4c2kA:
undetectable		 4krhB-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.
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
 1.08A 4krhB-4fwgA:
2.4		 4krhB-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.
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)
 0.62A 4krhB-4htfB:
12.5		 4krhB-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
PHE A 203
GLY A 232
GLY A 234
LEU A 255
SER A 256
ALA A 282
ARG A 298
CYH A 300
HIS A 303
ILE A 304
 None
SAH  A 501 ( 4.1A)
None
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.3A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-3.4A)
SAH  A 501 (-4.0A)
SAH  A 501 ( 4.5A)
 0.46A 4krhB-4ineA:
57.1		 4krhB-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.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 GLY A 174
SER A  55
ALA A   4
CYH A 181
ILE A  63
 None
 1.13A 4krhB-4jwtA:
undetectable		 4krhB-4jwtA:
22.35
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
PHE A 199
GLY A 228
GLY A 230
LEU A 251
SER A 252
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)
None
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-3.4A)
SAH  A 701 (-4.2A)
SAH  A 701 (-4.5A)
 0.19A 4krhB-4kriA:
64.4		 4krhB-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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		5 TYR A 229
PHE A 206
GLY A 227
ALA A 269
ILE A 266
 None
 1.11A 4krhB-4kv7A:
5.0		 4krhB-4kv7A:
22.20
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.
4m16 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella sp.
AR 15-3) 		PF02661
(Fic) 		5 GLY A  70
LEU A  64
ALA A 160
ARG A  35
ILE A  44
 None
None
None
None
EDO  A 301 ( 4.3A)
 1.12A 4krhB-4m16A:
undetectable		 4krhB-4m16A:
21.58
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.
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
 0.84A 4krhB-4m9cA:
undetectable		 4krhB-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) 		5 TYR A  16
GLY A  60
GLY A  62
ARG A 124
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.9A)
 0.52A 4krhB-4mwzA:
35.4		 4krhB-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) 		5 GLY A  47
GLY A  49
LEU A  69
SER A  70
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 (-3.2A)
 0.43A 4krhB-4necA:
16.9		 4krhB-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) 		5 TYR A   9
GLY A  47
LEU A  69
SER A  70
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 (-3.2A)
 0.90A 4krhB-4necA:
16.9		 4krhB-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.
4nfy D-3-PHOSPHOGLYCERATE
DEHYDROGENASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 139
GLY A 144
LEU A 186
SER A 185
ILE A 174
 None
 1.16A 4krhB-4nfyA:
6.5		 4krhB-4nfyA:
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.
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
 1.12A 4krhB-4npaA:
undetectable		 4krhB-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) 		5 TYR A  23
GLY A  80
GLY A  82
SER A 104
ALA A 131
 SAH  A 301 (-3.0A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.9A)
None
SAH  A 301 (-3.5A)
 0.60A 4krhB-4pneA:
25.8		 4krhB-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) 		5 TYR A 352
GLY A 238
GLY A 347
LEU A  11
ALA A  85
 None
 1.12A 4krhB-4qavA:
undetectable		 4krhB-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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 TYR A  19
GLY A  63
GLY A  65
ARG A 127
HIS A 132
 SAH  A 302 ( 4.1A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
None
SAH  A 302 (-4.3A)
 0.49A 4krhB-4r6wA:
37.9		 4krhB-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.
4rer 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00571
(CBS) 		5 TYR G 121
LEU G  86
ALA G  71
ARG G 224
ILE G  88
 AMP  G 401 (-4.5A)
None
None
None
None
 1.15A 4krhB-4rerG:
undetectable		 4krhB-4rerG:
19.68
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.
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
 1.04A 4krhB-4s17A:
undetectable		 4krhB-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.
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
 1.03A 4krhB-5dlcA:
undetectable		 4krhB-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)
 0.84A 4krhB-5dlyA:
16.0		 4krhB-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) 		5 GLY A  44
GLY A  46
LEU A  67
SER A  68
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 (-3.6A)
 0.66A 4krhB-5epeA:
17.5		 4krhB-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)
 0.82A 4krhB-5fubA:
9.8		 4krhB-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) 		5 GLY A  85
GLY A  87
SER A 109
ALA A 136
HIS A 157
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
None
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.3A)
 0.55A 4krhB-5gm2A:
24.3		 4krhB-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
 0.98A 4krhB-5gw5b:
undetectable		 4krhB-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
 1.02A 4krhB-5gw5e:
undetectable		 4krhB-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.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 5 PHE A 481
GLY A  73
ALA A 152
ARG A  91
ILE A 154
 None
 1.16A 4krhB-5i5jA:
undetectable		 4krhB-5i5jA:
21.41
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.
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
 0.76A 4krhB-5l75A:
2.6		 4krhB-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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
ALA A  97
ARG A 116
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.9A)
 0.69A 4krhB-5m58A:
18.7		 4krhB-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
 1.45A 4krhB-5m60A:
undetectable		 4krhB-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.
5mdx PHOTOSYSTEM II
PROTEIN D1
PHOTOSYSTEM II CP43
REACTION CENTER
PROTEIN

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF00124
(Photo_RC)
PF00421
(PSII) 		5 PHE C 435
PHE A 206
GLY A 201
LEU A 288
ALA A 156
 None
CLA  A 402 (-4.4A)
CLA  A 402 ( 4.4A)
None
None
 1.03A 4krhB-5mdxC:
undetectable		 4krhB-5mdxC:
21.82
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
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 ( 3.9A)
 0.66A 4krhB-5mgzA:
18.8		 4krhB-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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1992
GLY A1994
LEU A2020
SER A2021
CYH A2065
 SAH  A2201 (-3.2A)
SAH  A2201 (-3.0A)
SAH  A2201 (-3.7A)
None
SAH  A2201 (-4.8A)
 1.09A 4krhB-5mptA:
14.7		 4krhB-5mptA:
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.
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
 1.02A 4krhB-5nvaA:
undetectable		 4krhB-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
 0.96A 4krhB-5o25A:
undetectable		 4krhB-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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		5 PHE A 150
GLY A  23
GLY A 141
SER A 137
ALA A  80
 None
 1.13A 4krhB-5uscA:
4.9		 4krhB-5uscA:
23.97
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
 1.07A 4krhB-5uytA:
undetectable		 4krhB-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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		5 PHE A  83
GLY A 234
GLY A  95
SER A 221
ARG A 232
 None
 0.89A 4krhB-5vc2A:
3.2		 4krhB-5vc2A:
21.40
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
PHE A 262
GLY A 290
GLY A 292
LEU A 313
SER A 314
ARG A 355
HIS A 360
ILE A 361
 None
SAH  A 703 ( 4.0A)
None
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.1A)
SAH  A 703 (-4.5A)
None
SAH  A 703 (-4.0A)
None
 0.71A 4krhB-5wp4A:
39.4		 4krhB-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 7 GLY A 290
GLY A 292
LEU A 313
SER A 314
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
None
SAH  A 501 (-4.0A)
None
 0.62A 4krhB-5wp5A:
31.8		 4krhB-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
 1.10A 4krhB-5wuqC:
undetectable		 4krhB-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.
5xuo POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		no annotation 6 PHE A 810
LEU A 802
SER A 801
ALA A 805
ARG A 724
ILE A 781
 None
 1.41A 4krhB-5xuoA:
undetectable		 4krhB-5xuoA:
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
 0.97A 4krhB-5y8pA:
4.7		 4krhB-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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 6 PHE A 250
GLY A 187
SER A 253
ALA A 361
ARG A 178
ILE A 357
 None
None
None
None
NAI  A 401 (-2.7A)
None
 1.41A 4krhB-5yapA:
3.9		 4krhB-5yapA:
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 5 PHE A 472
SER A 449
ARG A 314
HIS A 400
ILE A 402
 None
 1.14A 4krhB-6byxA:
undetectable		 4krhB-6byxA:
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 6 GLY P 113
GLY P 111
SER P 164
ALA P 117
CYH P 595
ILE P 593
 ADP  P 802 ( 3.2A)
ADP  P 802 ( 3.7A)
MG  P 801 ( 4.6A)
None
None
None
 1.28A 4krhB-6c1dP:
undetectable		 4krhB-6c1dP:
undetectable