SIMILAR PATTERNS OF AMINO ACIDS FOR 4KRH_B_SAMB900_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ez4 LACTATE
DEHYDROGENASE

(Lactobacillus
pentosus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 116
SER A 119
ASP A  52
ASP A  56
 NAD  A1352 (-3.8A)
NAD  A1352 (-3.0A)
NAD  A1352 (-3.0A)
None
 1.42A 4krhB-1ez4A:
4.8		 4krhB-1ez4A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ppr PERIDININ-CHLOROPHYL
L PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		4 ILE M  73
SER M  72
ASP M 208
ASP M 268
 PID  M 614 (-4.4A)
None
None
None
 1.24A 4krhB-1pprM:
undetectable		 4krhB-1pprM:
21.12
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 ILE A 649
SER A 403
ASP A 382
ASP A 306
 None
 1.24A 4krhB-1pwwA:
undetectable		 4krhB-1pwwA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 ILE A  82
SER A  78
ASP A 482
ASP A 366
 None
 1.32A 4krhB-1qonA:
2.1		 4krhB-1qonA:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 ILE A   7
SER A   8
ASP A  76
ASP A 111
 None
 1.18A 4krhB-1xjeA:
undetectable		 4krhB-1xjeA:
20.66
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ILE A 323
SER A 324
ASP A 253
ASP A 255
 IBM  A 503 ( 4.8A)
None
MG  A 502 ( 2.6A)
None
 1.48A 4krhB-1zklA:
undetectable		 4krhB-1zklA:
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		4 ILE A  82
SER A  90
ASP A  32
ASP A 308
 None
 1.29A 4krhB-2h6tA:
undetectable		 4krhB-2h6tA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 ILE A 362
SER A 363
ASP A 530
ASP A 113
 None
None
CA  A 805 (-3.5A)
None
 1.46A 4krhB-2pncA:
undetectable		 4krhB-2pncA:
19.97
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.
2qdr UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF14499
(DUF4437) 		4 ILE A 142
SER A 105
ASP A 173
ASP A 176
 None
 1.40A 4krhB-2qdrA:
undetectable		 4krhB-2qdrA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 ILE A 213
SER A 214
ASP A 189
ASP A 186
 None
 1.41A 4krhB-2r0lA:
undetectable		 4krhB-2r0lA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		4 ILE A 310
SER A 313
ASP A 184
ASP A 181
 None
 1.50A 4krhB-2vg8A:
undetectable		 4krhB-2vg8A:
24.50
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ILE A 509
SER A 508
ASP A 516
ASP A 482
 PGR  A1765 (-4.1A)
PGR  A1765 ( 2.5A)
GOL  A1734 (-3.5A)
None
 0.91A 4krhB-2xe4A:
undetectable		 4krhB-2xe4A:
19.54
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.
3c6q SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Thermotoga
maritima) 		no annotation 4 ILE B  72
SER B  95
ASP B  67
ASP B  42
 None
 1.41A 4krhB-3c6qB:
5.5		 4krhB-3c6qB:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		4 ILE A  42
SER A  52
ASP A  12
ASP A  73
 None
 1.37A 4krhB-3f5dA:
3.1		 4krhB-3f5dA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fid PUTATIVE OUTER
MEMBRANE PROTEIN
(LPXR)

(Salmonella
enterica) 		PF09982
(DUF2219) 		4 ILE A  59
SER A  80
ASP A  10
ASP A  29
 None
None
GOL  A 303 ( 2.8A)
ZN  A 300 (-2.1A)
 1.41A 4krhB-3fidA:
undetectable		 4krhB-3fidA:
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 ILE A 205
SER A 201
ASP A 174
ASP A 179
 None
 1.47A 4krhB-3h3eA:
2.5		 4krhB-3h3eA:
23.87
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 ILE A 580
SER A 583
ASP A 520
ASP A 371
 None
None
MG  A 628 (-2.7A)
None
 1.29A 4krhB-3hs0A:
undetectable		 4krhB-3hs0A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		4 ILE A  81
SER A  56
ASP A  77
ASP A 128
 None
 1.27A 4krhB-3iq0A:
3.5		 4krhB-3iq0A:
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.
3k5w CARBOHYDRATE KINASE

(Helicobacter
pylori) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		4 ILE A 178
SER A 180
ASP A 151
ASP A  56
 None
 1.44A 4krhB-3k5wA:
5.4		 4krhB-3k5wA:
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.
3l1w UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03372
(Exo_endo_phos) 		4 ILE A 102
SER A 101
ASP A 134
ASP A 166
 None
 1.26A 4krhB-3l1wA:
2.6		 4krhB-3l1wA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o6q STAGE II SPORULATION
PROTEIN SA

(Bacillus
subtilis) 		PF14171
(SpoIISA_toxin) 		4 ILE A 220
SER A 219
ASP A 194
ASP A 177
 None
 0.95A 4krhB-3o6qA:
undetectable		 4krhB-3o6qA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogg BOTULINUM NEUROTOXIN
TYPE D

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ILE A 956
SER A 955
ASP A 977
ASP A1031
 None
 1.30A 4krhB-3oggA:
undetectable		 4krhB-3oggA:
20.73
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.
3q5m UPF0169 LIPOPROTEIN
YFIO

(Escherichia
coli) 		PF13525
(YfiO) 		4 ILE A 216
SER A 220
ASP A 191
ASP A 150
 None
 1.48A 4krhB-3q5mA:
undetectable		 4krhB-3q5mA:
20.44
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.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		4 ILE A   8
SER A   7
ASP A  53
ASP A  56
 None
None
ZN  A 184 (-2.6A)
None
 1.17A 4krhB-3s2sA:
undetectable		 4krhB-3s2sA:
19.26
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ILE A 490
SER A 488
ASP A 495
ASP A 220
 None
 1.39A 4krhB-3ttsA:
undetectable		 4krhB-3ttsA:
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.
3vay HAD-SUPERFAMILY
HYDROLASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		4 ILE A  64
SER A  65
ASP A  10
ASP A  15
 None
 1.42A 4krhB-3vayA:
undetectable		 4krhB-3vayA:
20.28
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 ILE A 212
SER A 211
ASP A 123
ASP A 129
 None
 1.46A 4krhB-4a5qA:
2.3		 4krhB-4a5qA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 ILE A 424
SER A 362
ASP A 399
ASP A 376
 None
 1.49A 4krhB-4avoA:
undetectable		 4krhB-4avoA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		4 ILE A 249
SER A 291
ASP A 446
ASP A 319
 None
 1.49A 4krhB-4c3yA:
undetectable		 4krhB-4c3yA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrobaculum
neutrophilum) 		PF00215
(OMPdecase) 		4 ILE A 153
SER A 154
ASP A  59
ASP A  37
 None
None
BMP  A 301 (-3.8A)
None
 1.45A 4krhB-4df1A:
undetectable		 4krhB-4df1A:
18.45
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.
4i2y RGECO1

(Gallus gallus;
Rattus
norvegicus;
Discosoma sp.) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 ILE A 112
SER A  62
ASP A 115
ASP A 363
 NRQ  A 224 ( 3.9A)
NRQ  A 224 ( 4.5A)
None
CA  A 501 (-3.0A)
 1.31A 4krhB-4i2yA:
undetectable		 4krhB-4i2yA:
23.17
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) 		4 ILE A 204
SER A 205
ASP A 254
ASP A 281
 SAH  A 501 (-4.5A)
SAH  A 501 (-2.7A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.5A)
 0.12A 4krhB-4ineA:
57.1		 4krhB-4ineA:
53.38
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) 		4 ILE A 200
SER A 201
ASP A 250
ASP A 277
 SAH  A 701 ( 4.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
 0.14A 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.
4mn5 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		4 ILE A 360
SER A 347
ASP A 274
ASP A 365
 None
None
ZN  A 401 (-2.1A)
None
 1.37A 4krhB-4mn5A:
undetectable		 4krhB-4mn5A:
15.70
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 ILE A  33
SER A  34
ASP A  82
ASP A 107
 SAM  A 301 (-4.3A)
SAM  A 301 (-2.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
 0.66A 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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		4 ILE A  13
SER A  15
ASP A 229
ASP A 234
 C2F  A3000 ( 4.4A)
None
C2F  A3000 (-3.7A)
None
 1.19A 4krhB-4o1eA:
undetectable		 4krhB-4o1eA:
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		4 ILE A 112
SER A 111
ASP A 197
ASP A 190
 None
 1.48A 4krhB-4qiqA:
undetectable		 4krhB-4qiqA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		4 ILE A  36
SER A  37
ASP A  85
ASP A 110
 SAH  A 302 ( 3.9A)
SAH  A 302 (-2.5A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.6A)
 0.62A 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.
4rb0 DNA-BINDING
TRANSCRIPTIONAL DUAL
REGULATOR OF
SIDEROPHORE
BIOSYNTHESIS AND
TRANSPORT(FUR
FAMILY)

(Magnetospirillum
gryphiswaldense) 		PF01475
(FUR) 		4 ILE A   5
SER A   3
ASP A  11
ASP A  89
 None
 1.44A 4krhB-4rb0A:
undetectable		 4krhB-4rb0A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rtf CHAPERONE PROTEIN
DNAK

(Mycobacterium
tuberculosis) 		PF00012
(HSP70) 		4 ILE D 243
SER D 246
ASP D 205
ASP D 210
 None
 1.47A 4krhB-4rtfD:
undetectable		 4krhB-4rtfD:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umf 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE KDSC

(Moraxella
catarrhalis) 		PF00702
(Hydrolase) 		4 ILE A  21
SER A  23
ASP A 114
ASP A  86
 None
None
MG  A1175 ( 4.3A)
None
 1.47A 4krhB-4umfA:
undetectable		 4krhB-4umfA:
18.48
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.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		4 ILE A 206
SER A 164
ASP A 130
ASP A 132
 None
 1.44A 4krhB-4ww7A:
undetectable		 4krhB-4ww7A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 ILE A 281
SER A 279
ASP A 151
ASP A 545
 None
 1.48A 4krhB-4xqkA:
2.7		 4krhB-4xqkA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3

(Saccharomyces
cerevisiae) 		no annotation 4 ILE L 339
SER L 340
ASP L 359
ASP L 376
 None
 1.34A 4krhB-4xr7L:
undetectable		 4krhB-4xr7L:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuu PHOSPHATIDYLINOSITID
E PHOSPHATASE SAC2

(Homo sapiens) 		PF12456
(hSac2) 		4 ILE A  40
SER A  38
ASP A  64
ASP A  68
 None
 1.35A 4krhB-4xuuA:
undetectable		 4krhB-4xuuA:
17.75
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.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		4 ILE A  64
SER A  63
ASP A  49
ASP A  42
 None
 1.38A 4krhB-5a11A:
undetectable		 4krhB-5a11A:
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 ILE E 213
SER E 214
ASP E 189
ASP E 223
 None
 1.46A 4krhB-5brrE:
undetectable		 4krhB-5brrE:
20.28
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.
5cwc DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ILE A 127
SER A 128
ASP A  76
ASP A  26
 None
 1.24A 4krhB-5cwcA:
undetectable		 4krhB-5cwcA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzx PROTOCADHERIN BETA 6

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ILE A 245
SER A 295
ASP A 206
ASP A 173
 None
None
CA  A 516 (-3.4A)
CA  A 515 (-2.8A)
 1.29A 4krhB-5dzxA:
undetectable		 4krhB-5dzxA:
23.46
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ILE A 163
SER A 164
ASP A 208
ASP A 235
 SAM  A 400 ( 4.1A)
SAM  A 400 ( 4.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-3.4A)
 1.14A 4krhB-5e72A:
14.6		 4krhB-5e72A:
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.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 ILE A 624
SER A 197
ASP A 575
ASP A 658
 None
 1.26A 4krhB-5ek8A:
undetectable		 4krhB-5ek8A:
21.55
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.
5imy VAGINOLYSIN

(Gardnerella
vaginalis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 ILE A 135
SER A 136
ASP A 124
ASP A 129
 None
 1.40A 4krhB-5imyA:
undetectable		 4krhB-5imyA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		4 ILE A 380
SER A 381
ASP A 242
ASP A 191
 None
 1.42A 4krhB-5kh0A:
4.3		 4krhB-5kh0A:
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.
5n11 HEMAGGLUTININ-ESTERA
SE

(Betacoronavirus
1) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 ILE A 336
SER A 338
ASP A 330
ASP A 325
 None
 1.32A 4krhB-5n11A:
undetectable		 4krhB-5n11A:
19.70
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.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN

(Chaetomium
thermophilum) 		PF12569
(NARP1)
PF13432
(TPR_16) 		4 ILE A 515
SER A 514
ASP A 522
ASP A 525
 None
 1.39A 4krhB-5nnpA:
undetectable		 4krhB-5nnpA:
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 4 ILE A 643
SER A 642
ASP A 702
ASP A 449
 None
 1.49A 4krhB-5oglA:
3.0		 4krhB-5oglA:
21.36
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		4 ILE 3  45
SER 3  41
ASP 3 281
ASP 3 279
 None
 1.38A 4krhB-5udb3:
undetectable		 4krhB-5udb3:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj7 ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Homo sapiens;
Homo sapiens) 		PF00004
(AAA)
PF09079
(Cdc6_C)
PF13191
(AAA_16)
PF14629
(ORC4_C) 		4 ILE A 532
SER A 533
ASP A 620
ASP C 178
 None
None
MG  A 901 (-2.1A)
None
 1.37A 4krhB-5uj7A:
undetectable		 4krhB-5uj7A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ILE A 787
SER A 786
ASP A 529
ASP A 534
 None
None
None
MN  A1201 (-2.8A)
 1.14A 4krhB-5vywA:
2.1		 4krhB-5vywA:
16.58
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 4 ILE A  35
SER A  38
ASP A  52
ASP A  82
 None
None
None
SAH  A 301 (-2.7A)
 1.21A 4krhB-5w7kA:
17.7		 4krhB-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 4 ILE A  35
SER A  38
ASP A  52
ASP A  82
 None
None
None
SAH  A 301 (-2.9A)
 1.23A 4krhB-5w7mA:
18.9		 4krhB-5w7mA:
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 4 ILE A 305
SER A 304
ASP A 241
ASP A 269
 None
None
SAM  A 501 ( 4.8A)
SAM  A 501 (-2.7A)
 1.36A 4krhB-5w7pA:
13.4		 4krhB-5w7pA:
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.
5wsz LPMO10A

(Bacillus
thuringiensis) 		PF03067
(LPMO_10) 		4 ILE A  25
SER A  11
ASP A  58
ASP A  45
 None
 1.49A 4krhB-5wszA:
undetectable		 4krhB-5wszA:
18.41
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 4 ILE A 682
SER A 716
ASP A 644
ASP A 259
 None
 1.40A 4krhB-5x9wA:
3.1		 4krhB-5x9wA:
20.02
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.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 4 ILE C 441
SER C 438
ASP C 446
ASP C 318
 None
 1.36A 4krhB-5yh3C:
undetectable		 4krhB-5yh3C:
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.
6ave ACID-SENSING ION
CHANNEL 1

(Gallus gallus) 		no annotation 4 ILE A 400
SER A 396
ASP A 224
ASP A 165
 None
 1.27A 4krhB-6aveA:
undetectable		 4krhB-6aveA:
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.
6bpc RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 4 ILE A 237
SER A 234
ASP A 176
ASP A 173
 None
 1.08A 4krhB-6bpcA:
undetectable		 4krhB-6bpcA:
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.
6d6q EXOSOME COMPLEX
COMPONENT RRP42
EXOSOME COMPLEX
COMPONENT RRP4

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 ILE H 242
SER H 243
ASP E  25
ASP E  31
 None
 1.18A 4krhB-6d6qH:
undetectable		 4krhB-6d6qH:
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.
6enz ACIDIC AMINO ACID
DECARBOXYLASE GADL1

(Mus musculus) 		no annotation 4 ILE A 124
SER A 123
ASP A 357
ASP A 349
 None
 1.42A 4krhB-6enzA:
3.1		 4krhB-6enzA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 ILE A 312
SER A 311
ASP A 459
ASP A 457
 None
 1.32A 4krhB-6etzA:
undetectable		 4krhB-6etzA:
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 4 ILE B 711
SER B 709
ASP B 715
ASP B1004
 None
 1.45A 4krhB-6exvB:
undetectable		 4krhB-6exvB:
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 ILE D 212
SER D 218
ASP D 109
ASP D 106
 None
 1.29A 4krhB-6f5dD:
4.6		 4krhB-6f5dD:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ILE A  35
SER A  33
ASP A 414
ASP A 407
 None
 0.95A 4krhB-6fhwA:
undetectable		 4krhB-6fhwA:
undetectable