SIMILAR PATTERNS OF AMINO ACIDS FOR 1BDW_B_DVAB6

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.
1cwp COAT PROTEIN

(Cowpea
chlorotic
mottle virus) 		PF01318
(Bromo_coat) 		3 TRP A  94
ALA A 136
VAL A 134
 None
 0.83A 1bdwA-1cwpA:
undetectable
1bdwB-1cwpA:
undetectable		 1bdwA-1cwpA:
11.46
1bdwB-1cwpA:
11.46
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.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		3 TRP A 117
ALA A 130
VAL A 154
 None
 0.87A 1bdwA-1ezwA:
undetectable
1bdwB-1ezwA:
undetectable		 1bdwA-1ezwA:
4.63
1bdwB-1ezwA:
4.63
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.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		3 TRP A 313
ALA A 322
VAL A 309
 None
 0.96A 1bdwA-1fbaA:
undetectable
1bdwB-1fbaA:
undetectable		 1bdwA-1fbaA:
3.78
1bdwB-1fbaA:
3.78
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.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		3 TRP A 193
ALA A 184
VAL A 189
 None
 0.94A 1bdwA-1idmA:
undetectable
1bdwB-1idmA:
undetectable		 1bdwA-1idmA:
5.95
1bdwB-1idmA:
5.95
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.
1js9 COAT PROTEIN

(Brome mosaic
virus) 		PF01318
(Bromo_coat) 		3 TRP A  93
ALA A 135
VAL A 133
 None
 0.97A 1bdwA-1js9A:
undetectable
1bdwB-1js9A:
undetectable		 1bdwA-1js9A:
10.68
1bdwB-1js9A:
10.68
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		3 TRP A  51
ALA A  94
VAL A  58
 None
 0.99A 1bdwA-1ks5A:
undetectable
1bdwB-1ks5A:
undetectable		 1bdwA-1ks5A:
8.53
1bdwB-1ks5A:
8.53
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.
1qc6 EVH1 DOMAIN FROM
ENA/VASP-LIKE
PROTEIN

(Mus musculus) 		PF00568
(WH1) 		3 TRP A1081
ALA A1084
VAL A1087
 None
 0.88A 1bdwA-1qc6A:
undetectable
1bdwB-1qc6A:
undetectable		 1bdwA-1qc6A:
6.92
1bdwB-1qc6A:
6.92
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  70
ALA A  15
VAL A  69
 None
 0.65A 1bdwA-1rblA:
undetectable
1bdwB-1rblA:
undetectable		 1bdwA-1rblA:
4.08
1bdwB-1rblA:
4.08
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		3 TRP A 365
ALA A 174
VAL A 368
 None
 0.98A 1bdwA-1u7gA:
undetectable
1bdwB-1u7gA:
undetectable		 1bdwA-1u7gA:
5.19
1bdwB-1u7gA:
5.19
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.
1vfc TELOMERIC REPEAT
BINDING FACTOR 2

(Homo sapiens) 		PF00249
(Myb_DNA-binding) 		3 TRP A 457
ALA A 460
VAL A 458
 None
 0.90A 1bdwA-1vfcA:
undetectable
1bdwB-1vfcA:
undetectable		 1bdwA-1vfcA:
14.58
1bdwB-1vfcA:
14.58
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		3 TRP A 126
ALA A  87
VAL A 147
 None
 0.88A 1bdwA-1y4jA:
undetectable
1bdwB-1y4jA:
undetectable		 1bdwA-1y4jA:
5.77
1bdwB-1y4jA:
5.77
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.
1za7 COAT PROTEIN

(Cowpea
chlorotic
mottle virus) 		PF01318
(Bromo_coat) 		3 TRP A  94
ALA A 136
VAL A 134
 None
 0.86A 1bdwA-1za7A:
undetectable
1bdwB-1za7A:
undetectable		 1bdwA-1za7A:
13.70
1bdwB-1za7A:
13.70
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.
1zvy IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN

(Camelus
dromedarius) 		PF07686
(V-set) 		3 TRP A  36
ALA A  50
VAL A  48
 None
 0.98A 1bdwA-1zvyA:
undetectable
1bdwB-1zvyA:
undetectable		 1bdwA-1zvyA:
8.99
1bdwB-1zvyA:
8.99
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.
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 TRP A1077
ALA A1010
VAL A1008
 None
 0.99A 1bdwA-2bzlA:
undetectable
1bdwB-2bzlA:
undetectable		 1bdwA-2bzlA:
4.94
1bdwB-2bzlA:
4.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2co6 PUTATIVE FIMBRIAE
ASSEMBLY CHAPERONE

(Salmonella
enterica) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		3 TRP B 203
ALA B 168
VAL B 170
 None
 0.69A 1bdwA-2co6B:
undetectable
1bdwB-2co6B:
undetectable		 1bdwA-2co6B:
8.05
1bdwB-2co6B:
8.05
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.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 TRP A 125
ALA A 191
VAL A 170
 None
 0.85A 1bdwA-2cx9A:
undetectable
1bdwB-2cx9A:
undetectable		 1bdwA-2cx9A:
3.46
1bdwB-2cx9A:
3.46
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		3 TRP A 505
ALA A   3
VAL A 371
 None
 0.96A 1bdwA-2cxnA:
undetectable
1bdwB-2cxnA:
undetectable		 1bdwA-2cxnA:
4.32
1bdwB-2cxnA:
4.32
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.
2ft0 TDP-FUCOSAMINE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 3 TRP A 184
ALA A  85
VAL A  87
 None
 0.85A 1bdwA-2ft0A:
undetectable
1bdwB-2ft0A:
undetectable		 1bdwA-2ft0A:
5.11
1bdwB-2ft0A:
5.11
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.
2gwf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00581
(Rhodanese) 		3 TRP A 284
ALA A 232
VAL A 230
 None
 0.99A 1bdwA-2gwfA:
undetectable
1bdwB-2gwfA:
undetectable		 1bdwA-2gwfA:
9.09
1bdwB-2gwfA:
9.09
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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		3 TRP X 188
ALA X 149
VAL X 209
 None
 0.85A 1bdwA-2hi8X:
undetectable
1bdwB-2hi8X:
undetectable		 1bdwA-2hi8X:
5.69
1bdwB-2hi8X:
5.69
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.
2ich PUTATIVE ATTH

(Nitrosomonas
europaea) 		PF07143
(CrtC)
PF17186
(Lipocalin_9) 		3 TRP A 216
ALA A  25
VAL A  27
 None
 0.73A 1bdwA-2ichA:
undetectable
1bdwB-2ichA:
undetectable		 1bdwA-2ichA:
5.24
1bdwB-2ichA:
5.24
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		3 TRP A 234
ALA A 257
VAL A 194
 None
 0.97A 1bdwA-2iipA:
undetectable
1bdwB-2iipA:
undetectable		 1bdwA-2iipA:
3.94
1bdwB-2iipA:
3.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 TRP A 261
ALA A  83
VAL A  87
 None
 0.98A 1bdwA-2jgpA:
undetectable
1bdwB-2jgpA:
undetectable		 1bdwA-2jgpA:
5.16
1bdwB-2jgpA:
5.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2krx ASL3597 PROTEIN

(Nostoc sp. PCC
7120) 		PF12095
(CRR7) 		3 TRP A  79
ALA A  81
VAL A  14
 None
 0.98A 1bdwA-2krxA:
undetectable
1bdwB-2krxA:
undetectable		 1bdwA-2krxA:
31.25
1bdwB-2krxA:
31.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mk5 ENDOLYSIN

(Staphylococcus
virus G15) 		PF08460
(SH3_5) 		3 TRP A  45
ALA A  92
VAL A 117
 None
 0.86A 1bdwA-2mk5A:
undetectable
1bdwB-2mk5A:
undetectable		 1bdwA-2mk5A:
5.47
1bdwB-2mk5A:
5.47
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.
2p2c CASPASE-2
CASPASE-2

(Homo sapiens;
Homo sapiens) 		PF00656
(Peptidase_C14)
PF12796
(Ank_2)
PF13637
(Ank_4) 		3 TRP P  45
ALA B 244
VAL B 246
 None
 0.99A 1bdwA-2p2cP:
undetectable
1bdwB-2p2cP:
undetectable		 1bdwA-2p2cP:
18.64
1bdwB-2p2cP:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		3 TRP A 123
ALA A  85
VAL A 144
 None
 0.84A 1bdwA-2q17A:
undetectable
1bdwB-2q17A:
undetectable		 1bdwA-2q17A:
5.11
1bdwB-2q17A:
5.11
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.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		3 TRP A 578
ALA A 519
VAL A 521
 None
 0.85A 1bdwA-2qqkA:
undetectable
1bdwB-2qqkA:
undetectable		 1bdwA-2qqkA:
4.44
1bdwB-2qqkA:
4.44
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		3 TRP A 578
ALA A 519
VAL A 521
 None
 0.99A 1bdwA-2qqoA:
undetectable
1bdwB-2qqoA:
undetectable		 1bdwA-2qqoA:
4.44
1bdwB-2qqoA:
4.44
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		3 TRP A 109
ALA A 107
VAL A 162
 None
 0.84A 1bdwA-2vqaA:
undetectable
1bdwB-2vqaA:
undetectable		 1bdwA-2vqaA:
3.14
1bdwB-2vqaA:
3.14
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.
2w59 IGY FCU3-4

(Gallus gallus) 		PF07654
(C1-set) 		3 TRP A 491
ALA A 500
VAL A 498
 None
 0.96A 1bdwA-2w59A:
undetectable
1bdwB-2w59A:
undetectable		 1bdwA-2w59A:
5.94
1bdwB-2w59A:
5.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xqw COMPLEMENT C3

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		3 TRP A  84
ALA A 149
VAL A 154
 None
 0.97A 1bdwA-2xqwA:
undetectable
1bdwB-2xqwA:
undetectable		 1bdwA-2xqwA:
4.72
1bdwB-2xqwA:
4.72
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		3 TRP A 819
ALA A 763
VAL A 820
 None
 0.99A 1bdwA-3aibA:
undetectable
1bdwB-3aibA:
undetectable		 1bdwA-3aibA:
2.46
1bdwB-3aibA:
2.46
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		3 TRP A 180
ALA A 183
VAL A 179
 None
 0.87A 1bdwA-3c8tA:
undetectable
1bdwB-3c8tA:
undetectable		 1bdwA-3c8tA:
5.33
1bdwB-3c8tA:
5.33
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		3 TRP A 247
ALA A  16
VAL A 243
 None
 0.91A 1bdwA-3ca8A:
undetectable
1bdwB-3ca8A:
undetectable		 1bdwA-3ca8A:
6.09
1bdwB-3ca8A:
6.09
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.
3chi P-AMINOBENZOATE
N-OXYGENASE

(Streptomyces
thioluteus) 		PF11583
(AurF) 		3 TRP A 191
ALA A 105
VAL A 194
 None
 0.90A 1bdwA-3chiA:
undetectable
1bdwB-3chiA:
undetectable		 1bdwA-3chiA:
3.82
1bdwB-3chiA:
3.82
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		3 TRP A  56
ALA A 245
VAL A  61
 None
 0.96A 1bdwA-3dclA:
undetectable
1bdwB-3dclA:
undetectable		 1bdwA-3dclA:
3.72
1bdwB-3dclA:
3.72
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.
3js8 CHOLESTEROL OXIDASE

(Chromobacterium
sp. DS-1) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		3 TRP A  32
ALA A  78
VAL A  80
 None
 0.95A 1bdwA-3js8A:
undetectable
1bdwB-3js8A:
undetectable		 1bdwA-3js8A:
2.53
1bdwB-3js8A:
2.53
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 TRP A 584
ALA A 582
VAL A 534
 None
 0.90A 1bdwA-3k1dA:
undetectable
1bdwB-3k1dA:
undetectable		 1bdwA-3k1dA:
2.24
1bdwB-3k1dA:
2.24
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.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		3 TRP A 484
ALA A 403
VAL A 405
 None
 0.65A 1bdwA-3l6gA:
undetectable
1bdwB-3l6gA:
undetectable		 1bdwA-3l6gA:
7.98
1bdwB-3l6gA:
7.98
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.
3l7o RIBOSE-5-PHOSPHATE
ISOMERASE A

(Streptococcus
mutans) 		PF06026
(Rib_5-P_isom_A) 		3 TRP A 116
ALA A  30
VAL A 118
 None
 0.93A 1bdwA-3l7oA:
undetectable
1bdwB-3l7oA:
undetectable		 1bdwA-3l7oA:
6.43
1bdwB-3l7oA:
6.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		3 TRP A 102
ALA A 127
VAL A 132
 None
 0.97A 1bdwA-3ou6A:
undetectable
1bdwB-3ou6A:
undetectable		 1bdwA-3ou6A:
7.81
1bdwB-3ou6A:
7.81
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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		3 TRP A 868
ALA A 771
VAL A 769
 None
 0.86A 1bdwA-3ptyA:
undetectable
1bdwB-3ptyA:
undetectable		 1bdwA-3ptyA:
3.98
1bdwB-3ptyA:
3.98
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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		3 TRP A  33
ALA A   9
VAL A   7
 None
None
FAD  A 401 (-4.7A)
 0.98A 1bdwA-3qj4A:
undetectable
1bdwB-3qj4A:
undetectable		 1bdwA-3qj4A:
5.37
1bdwB-3qj4A:
5.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A  44
ALA A 120
VAL A 355
 None
 0.99A 1bdwA-3qldA:
undetectable
1bdwB-3qldA:
undetectable		 1bdwA-3qldA:
3.67
1bdwB-3qldA:
3.67
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.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		3 TRP A 102
ALA A  97
VAL A  99
 None
 0.96A 1bdwA-3simA:
undetectable
1bdwB-3simA:
undetectable		 1bdwA-3simA:
3.69
1bdwB-3simA:
3.69
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.
3sob LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		3 TRP B  67
ALA B  54
VAL B  56
 None
 0.91A 1bdwA-3sobB:
undetectable
1bdwB-3sobB:
undetectable		 1bdwA-3sobB:
4.15
1bdwB-3sobB:
4.15
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.
3t36 ENDO-TYPE
MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF01464
(SLT) 		3 TRP A  50
ALA A  48
VAL A  52
 None
 0.86A 1bdwA-3t36A:
undetectable
1bdwB-3t36A:
undetectable		 1bdwA-3t36A:
9.01
1bdwB-3t36A:
9.01
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 TRP A   3
ALA A 251
VAL A 182
 None
 0.99A 1bdwA-3t6sA:
undetectable
1bdwB-3t6sA:
undetectable		 1bdwA-3t6sA:
14.46
1bdwB-3t6sA:
14.46
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		3 TRP A 125
ALA A 129
VAL A 127
 None
 0.97A 1bdwA-4bhdA:
undetectable
1bdwB-4bhdA:
undetectable		 1bdwA-4bhdA:
3.88
1bdwB-4bhdA:
3.88
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 TRP A 326
ALA A 322
VAL A 282
 None
 0.93A 1bdwA-4bp8A:
undetectable
1bdwB-4bp8A:
undetectable		 1bdwA-4bp8A:
1.86
1bdwB-4bp8A:
1.86
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		3 TRP A 200
ALA A 193
VAL A 215
 None
 0.89A 1bdwA-4ce7A:
undetectable
1bdwB-4ce7A:
undetectable		 1bdwA-4ce7A:
5.53
1bdwB-4ce7A:
5.53
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		3 TRP A 259
ALA A 160
VAL A 185
 None
 0.96A 1bdwA-4eb0A:
undetectable
1bdwB-4eb0A:
undetectable		 1bdwA-4eb0A:
16.67
1bdwB-4eb0A:
16.67
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		3 TRP A  62
ALA A 238
VAL A  66
 None
 0.72A 1bdwA-4el8A:
undetectable
1bdwB-4el8A:
undetectable		 1bdwA-4el8A:
2.45
1bdwB-4el8A:
2.45
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.
4f0b THIOL TRANSFERASE

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 TRP A  20
ALA A  23
VAL A  21
 None
 0.91A 1bdwA-4f0bA:
undetectable
1bdwB-4f0bA:
undetectable		 1bdwA-4f0bA:
7.78
1bdwB-4f0bA:
7.78
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		3 TRP A 164
ALA A 167
VAL A 163
 None
 0.83A 1bdwA-4fcsA:
undetectable
1bdwB-4fcsA:
undetectable		 1bdwA-4fcsA:
6.25
1bdwB-4fcsA:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmk POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 2

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		3 TRP A  69
ALA A  79
VAL A  77
 None
 0.95A 1bdwA-4fmkA:
undetectable
1bdwB-4fmkA:
undetectable		 1bdwA-4fmkA:
6.36
1bdwB-4fmkA:
6.36
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		3 TRP M  25
ALA M  28
VAL M  26
 None
 0.92A 1bdwA-4gq2M:
undetectable
1bdwB-4gq2M:
undetectable		 1bdwA-4gq2M:
2.30
1bdwB-4gq2M:
2.30
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.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		3 TRP A  60
ALA A 114
VAL A 118
 None
 0.96A 1bdwA-4h18A:
undetectable
1bdwB-4h18A:
undetectable		 1bdwA-4h18A:
5.41
1bdwB-4h18A:
5.41
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.
4hi4 AEROTAXIS TRANSDUCER
AER2

(Pseudomonas
aeruginosa) 		PF13188
(PAS_8) 		3 TRP A 283
ALA A 184
VAL A 202
 None
 0.89A 1bdwA-4hi4A:
undetectable
1bdwB-4hi4A:
undetectable		 1bdwA-4hi4A:
8.74
1bdwB-4hi4A:
8.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0c CABHUL5 ANTIBODY

(Camelus
dromedarius) 		PF07686
(V-set) 		3 TRP C  34
ALA C  48
VAL C  46
 None
 0.98A 1bdwA-4i0cC:
undetectable
1bdwB-4i0cC:
undetectable		 1bdwA-4i0cC:
8.25
1bdwB-4i0cC:
8.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  70
ALA A  15
VAL A  69
 None
 0.58A 1bdwA-4mkvA:
undetectable
1bdwB-4mkvA:
undetectable		 1bdwA-4mkvA:
3.79
1bdwB-4mkvA:
3.79
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.
4n6r VELB

(Aspergillus
nidulans) 		PF11754
(Velvet) 		3 TRP B 259
ALA B 246
VAL B 261
 None
 0.97A 1bdwA-4n6rB:
undetectable
1bdwB-4n6rB:
undetectable		 1bdwA-4n6rB:
3.46
1bdwB-4n6rB:
3.46
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.
4nuj PGT152 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP B  36
ALA B  50
VAL B  48
 None
 0.98A 1bdwA-4nujB:
undetectable
1bdwB-4nujB:
undetectable		 1bdwA-4nujB:
8.04
1bdwB-4nujB:
8.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odw A6 FAB (IGG2B) HEAVY
CHAIN

(Mus musculus) 		no annotation 3 TRP H  36
ALA H  50
VAL H  48
 None
 0.97A 1bdwA-4odwH:
undetectable
1bdwB-4odwH:
undetectable		 1bdwA-4odwH:
6.62
1bdwB-4odwH:
6.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 TRP A 717
ALA A 273
VAL A 277
 None
 0.92A 1bdwA-4okdA:
undetectable
1bdwB-4okdA:
undetectable		 1bdwA-4okdA:
1.43
1bdwB-4okdA:
1.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		3 TRP A 387
ALA A 359
VAL A 388
 None
 0.96A 1bdwA-4on1A:
undetectable
1bdwB-4on1A:
undetectable		 1bdwA-4on1A:
3.28
1bdwB-4on1A:
3.28
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.
4pv1 CYTOCHROME B6-F
COMPLEX SUBUNIT 7
CYTOCHROME B6-F
COMPLEX SUBUNIT 8

(Mastigocladus
laminosus;
Mastigocladus
laminosus) 		PF08041
(PetM)
PF03742
(PetN) 		3 TRP F  20
ALA H  20
VAL F  24
 None
 0.97A 1bdwA-4pv1F:
undetectable
1bdwB-4pv1F:
undetectable		 1bdwA-4pv1F:
24.14
1bdwB-4pv1F:
24.14
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 TRP A   9
ALA A  15
VAL A  11
 GSH  A 401 ( 4.9A)
None
None
 0.94A 1bdwA-4q5nA:
undetectable
1bdwB-4q5nA:
undetectable		 1bdwA-4q5nA:
8.47
1bdwB-4q5nA:
8.47
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.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		3 TRP A 578
ALA A 519
VAL A 521
 None
 0.93A 1bdwA-4qdrA:
undetectable
1bdwB-4qdrA:
undetectable		 1bdwA-4qdrA:
4.42
1bdwB-4qdrA:
4.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rho UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF15579
(Imm52) 		3 TRP A 169
ALA A 221
VAL A 203
 None
 0.96A 1bdwA-4rhoA:
undetectable
1bdwB-4rhoA:
undetectable		 1bdwA-4rhoA:
5.67
1bdwB-4rhoA:
5.67
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		3 TRP A 561
ALA A 507
VAL A 498
 None
 0.91A 1bdwA-4ufcA:
undetectable
1bdwB-4ufcA:
undetectable		 1bdwA-4ufcA:
2.47
1bdwB-4ufcA:
2.47
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.
4uiq GLOBIN-COUPLED
SENSOR WITH
DIGUANYLATE CYCLASE
ACTIVITY

(Bordetella
pertussis) 		PF11563
(Protoglobin) 		3 TRP A  24
ALA A  27
VAL A  25
 None
 0.94A 1bdwA-4uiqA:
undetectable
1bdwB-4uiqA:
undetectable		 1bdwA-4uiqA:
15.69
1bdwB-4uiqA:
15.69
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 TRP A 147
ALA A 145
VAL A 174
 None
 0.95A 1bdwA-4uwaA:
undetectable
1bdwB-4uwaA:
undetectable		 1bdwA-4uwaA:
0.32
1bdwB-4uwaA:
0.32
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.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 TRP A 376
ALA A 374
VAL A 444
 None
 0.75A 1bdwA-4xqeA:
undetectable
1bdwB-4xqeA:
undetectable		 1bdwA-4xqeA:
2.55
1bdwB-4xqeA:
2.55
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		3 TRP A 540
ALA A 493
VAL A 536
 None
 0.76A 1bdwA-4xwhA:
undetectable
1bdwB-4xwhA:
undetectable		 1bdwA-4xwhA:
2.26
1bdwB-4xwhA:
2.26
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		3 TRP C 272
ALA C 401
VAL C 301
 None
 0.93A 1bdwA-5aa5C:
undetectable
1bdwB-5aa5C:
undetectable		 1bdwA-5aa5C:
3.78
1bdwB-5aa5C:
3.78
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.
5cj3 ZBM BINDING PROTEIN

(Streptomyces
flavoviridis) 		no annotation 3 TRP A  78
ALA A  80
VAL A  82
 None
 0.87A 1bdwA-5cj3A:
undetectable
1bdwB-5cj3A:
undetectable		 1bdwA-5cj3A:
12.20
1bdwB-5cj3A:
12.20
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.
5d55 HDAB,HDAA (ADHESIN),
HUS-ASSOCIATED
DIFFUSE ADHERENCE

(Escherichia
coli) 		PF05775
(AfaD) 		3 TRP A  38
ALA A  41
VAL A 113
 FLC  A 201 (-3.3A)
None
None
 0.99A 1bdwA-5d55A:
undetectable
1bdwB-5d55A:
undetectable		 1bdwA-5d55A:
6.37
1bdwB-5d55A:
6.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7l CONTACTIN-2

(Mus musculus) 		PF00041
(fn3) 		3 TRP A 835
ALA A 819
VAL A 821
 None
 0.88A 1bdwA-5e7lA:
undetectable
1bdwB-5e7lA:
undetectable		 1bdwA-5e7lA:
10.67
1bdwB-5e7lA:
10.67
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.
5f9d NANOBODY NB-ER19

(Lama glama) 		PF07686
(V-set) 		3 TRP C  37
ALA C  51
VAL C  49
 None
 0.98A 1bdwA-5f9dC:
undetectable
1bdwB-5f9dC:
undetectable		 1bdwA-5f9dC:
10.58
1bdwB-5f9dC:
10.58
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		3 TRP A  48
ALA A  35
VAL A  37
 None
 0.94A 1bdwA-5gjeA:
undetectable
1bdwB-5gjeA:
undetectable		 1bdwA-5gjeA:
8.50
1bdwB-5gjeA:
8.50
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.
5gxb NANOBODY

(Vicugna pacos) 		PF07686
(V-set) 		3 TRP B  36
ALA B  50
VAL B  48
 None
 0.94A 1bdwA-5gxbB:
undetectable
1bdwB-5gxbB:
undetectable		 1bdwA-5gxbB:
10.09
1bdwB-5gxbB:
10.09
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TRP B 690
ALA B 697
VAL B 694
 None
 0.98A 1bdwA-5gztB:
undetectable
1bdwB-5gztB:
undetectable		 1bdwA-5gztB:
5.45
1bdwB-5gztB:
5.45
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.
5k69 L,D-TRANSPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		3 TRP A 340
ALA A 344
VAL A 342
 6QR  A 503 (-3.8A)
None
None
 0.93A 1bdwA-5k69A:
undetectable
1bdwB-5k69A:
undetectable		 1bdwA-5k69A:
6.25
1bdwB-5k69A:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 TRP A 170
ALA A 126
VAL A 354
 None
 0.81A 1bdwA-5k8fA:
undetectable
1bdwB-5k8fA:
undetectable		 1bdwA-5k8fA:
3.29
1bdwB-5k8fA:
3.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kaq ANTIBODY 31.A.83 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP F  36
ALA F  50
VAL F  48
 None
 0.90A 1bdwA-5kaqF:
undetectable
1bdwB-5kaqF:
undetectable		 1bdwA-5kaqF:
5.06
1bdwB-5kaqF:
5.06
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		3 TRP B 473
ALA B 478
VAL B 472
 None
 0.94A 1bdwA-5kohB:
undetectable
1bdwB-5kohB:
undetectable		 1bdwA-5kohB:
3.10
1bdwB-5kohB:
3.10
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.
5lwf CAMELID HEAVY-CHAIN
ANTIBODY VARIABLE
FRAGMENT CAB-G10S

(Lama glama) 		no annotation 3 TRP C  39
ALA C  53
VAL C  51
 None
 0.94A 1bdwA-5lwfC:
undetectable
1bdwB-5lwfC:
undetectable		 1bdwA-5lwfC:
5.83
1bdwB-5lwfC:
5.83
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.
5mm2 CAPSID PROTEIN VP4A

(Nora virus) 		no annotation 3 TRP C 217
ALA C  87
VAL C  17
 None
 0.98A 1bdwA-5mm2C:
undetectable
1bdwB-5mm2C:
undetectable		 1bdwA-5mm2C:
undetectable
1bdwB-5mm2C:
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.
5nlw NANOBODY NB36

(Lama glama) 		PF07686
(V-set) 		3 TRP A  37
ALA A  51
VAL A  49
 None
 0.97A 1bdwA-5nlwA:
undetectable
1bdwB-5nlwA:
undetectable		 1bdwA-5nlwA:
10.19
1bdwB-5nlwA:
10.19
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  72
ALA A  16
VAL A  71
 None
 0.61A 1bdwA-5nv3A:
undetectable
1bdwB-5nv3A:
undetectable		 1bdwA-5nv3A:
3.90
1bdwB-5nv3A:
3.90
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		3 TRP A 117
ALA A  79
VAL A 138
 None
 0.84A 1bdwA-5nyyA:
undetectable
1bdwB-5nyyA:
undetectable		 1bdwA-5nyyA:
5.42
1bdwB-5nyyA:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o02 NANOBODY (VHH)
NANO-4

(Vicugna pacos) 		PF07686
(V-set) 		3 TRP C  36
ALA C  50
VAL C  48
 None
 0.97A 1bdwA-5o02C:
undetectable
1bdwB-5o02C:
undetectable		 1bdwA-5o02C:
16.67
1bdwB-5o02C:
16.67
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 3 TRP A  44
ALA A  47
VAL A 141
 None
 0.97A 1bdwA-5o6vA:
undetectable
1bdwB-5o6vA:
undetectable		 1bdwA-5o6vA:
undetectable
1bdwB-5o6vA:
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.
5vug UNCHARACTERIZED
PROTEIN RV2277C

(Mycobacterium
tuberculosis) 		PF03009
(GDPD) 		3 TRP A  40
ALA A  15
VAL A  11
 GOL  A 302 (-4.3A)
None
None
 0.86A 1bdwA-5vugA:
undetectable
1bdwB-5vugA:
undetectable		 1bdwA-5vugA:
4.76
1bdwB-5vugA:
4.76
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		3 TRP A 328
ALA A 339
VAL A 332
 None
 0.89A 1bdwA-5wnnA:
undetectable
1bdwB-5wnnA:
undetectable		 1bdwA-5wnnA:
5.56
1bdwB-5wnnA:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 3 TRP A 402
ALA A 291
VAL A 293
 None
 0.91A 1bdwA-5xqoA:
undetectable
1bdwB-5xqoA:
undetectable		 1bdwA-5xqoA:
undetectable
1bdwB-5xqoA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 3

(Homo sapiens;
Homo sapiens) 		PF14813
(NADH_B2)
PF08122
(NDUF_B12) 		3 TRP Y  71
ALA Z  77
VAL Z  82
 None
 0.81A 1bdwA-5xtcY:
undetectable
1bdwB-5xtcY:
undetectable		 1bdwA-5xtcY:
33.33
1bdwB-5xtcY:
33.33
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.
6cy1 SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Elizabethkingia
anophelis) 		no annotation 3 TRP A 164
ALA A 157
VAL A 125
 None
 0.94A 1bdwA-6cy1A:
undetectable
1bdwB-6cy1A:
undetectable		 1bdwA-6cy1A:
undetectable
1bdwB-6cy1A:
undetectable