SIMILAR PATTERNS OF AMINO ACIDS FOR 3U5K_C_08JC3_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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 VAL A 239
LEU A 211
LEU A 204
ILE A 258
 None
 0.89A 3u5kC-1kczA:
undetectable		 3u5kC-1kczA:
14.49
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.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 VAL A 239
LEU A 211
LEU A 204
ILE A 258
 None
 0.92A 3u5kC-1kkrA:
undetectable		 3u5kC-1kkrA:
15.50
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.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 PRO A  53
VAL A  49
LEU A  64
LEU A  43
ILE A 296
 None
FAD  A 500 (-3.4A)
None
FAD  A 500 (-3.3A)
None
 0.99A 3u5kC-1tdfA:
undetectable		 3u5kC-1tdfA:
16.77
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.
1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF06172
(Cupin_5) 		4 PRO A  63
VAL A  74
ASN A 100
ILE A  99
 None
None
EDO  A 306 (-3.7A)
None
 0.94A 3u5kC-1xe7A:
undetectable		 3u5kC-1xe7A:
20.77
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.
1xnt PROTEIN (DNA-REPAIR
PROTEIN XRCC1)

(Homo sapiens) 		PF01834
(XRCC1_N) 		4 VAL A 128
LEU A  47
LEU A   6
ILE A  60
 None
 0.89A 3u5kC-1xntA:
undetectable		 3u5kC-1xntA:
19.08
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.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		4 VAL A 302
LEU A 280
LEU A  63
ILE A  77
 None
 0.86A 3u5kC-2aazA:
undetectable		 3u5kC-2aazA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dvr BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		8 TRP A  31
PRO A  32
VAL A  37
LEU A  42
LEU A  44
ASN A  90
ILE A  96
MET A  99
 None
 0.40A 3u5kC-2dvrA:
20.1		 3u5kC-2dvrA:
70.08
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.
2e0z VIRUS-LIKE PARTICLE

(Pyrococcus
furiosus) 		PF04454
(Linocin_M18) 		4 VAL A 204
LEU A 130
LEU A 134
ILE A 294
 None
 0.91A 3u5kC-2e0zA:
undetectable		 3u5kC-2e0zA:
17.29
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.
2f4z TGTWINSCAN_2721 - E2
DOMAIN

(Toxoplasma
gondii) 		PF00179
(UQ_con) 		4 PRO A 109
LEU A  37
ILE A  98
MET A 111
 None
 0.92A 3u5kC-2f4zA:
undetectable		 3u5kC-2f4zA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 PRO A 412
LEU A 401
LEU A 398
ASN A 362
 None
 0.87A 3u5kC-2gskA:
undetectable		 3u5kC-2gskA:
11.19
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.
2i88 COLICIN-E1

(Escherichia
coli) 		PF01024
(Colicin) 		4 TRP A 460
VAL A 447
LEU A 486
ILE A 503
 None
 0.89A 3u5kC-2i88A:
undetectable		 3u5kC-2i88A:
19.57
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran) 		4 VAL A 172
LEU A 161
LEU A 164
ILE A 144
 None
 0.88A 3u5kC-2it1A:
undetectable		 3u5kC-2it1A:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2l5e BROMODOMAIN-CONTAINI
NG PROTEIN 3

(Mus musculus) 		PF00439
(Bromodomain) 		6 PRO A  58
LEU A  68
LEU A  70
ASN A 116
ILE A 122
MET A 125
 None
 0.92A 3u5kC-2l5eA:
17.0		 3u5kC-2l5eA:
77.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2l5e BROMODOMAIN-CONTAINI
NG PROTEIN 3

(Mus musculus) 		PF00439
(Bromodomain) 		6 TRP A  57
PRO A  58
LEU A  70
ASN A 116
ILE A 122
MET A 125
 None
 0.90A 3u5kC-2l5eA:
17.0		 3u5kC-2l5eA:
77.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mbg RALA-BINDING PROTEIN
1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 VAL A 350
LEU A 278
LEU A 279
ILE A 322
 None
 0.68A 3u5kC-2mbgA:
undetectable		 3u5kC-2mbgA:
19.76
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 VAL A 108
LEU A 105
LEU A  99
ILE A 317
 None
 0.88A 3u5kC-2p2sA:
undetectable		 3u5kC-2p2sA:
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.
2p3v INOSITOL-1-MONOPHOSP
HATASE

(Thermotoga
maritima) 		PF00459
(Inositol_P) 		5 PRO A1080
VAL A1014
LEU A1011
LEU A1010
ILE A1078
 None
 1.48A 3u5kC-2p3vA:
undetectable		 3u5kC-2p3vA:
19.14
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		4 PRO A 329
VAL A 333
LEU A 365
ILE A 406
 None
 0.90A 3u5kC-2pqdA:
undetectable		 3u5kC-2pqdA:
13.23
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.
2r0v CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4

(Saccharomyces
cerevisiae) 		PF00439
(Bromodomain) 		4 PRO A 212
VAL A 217
ASN A 268
ILE A 274
 None
 0.71A 3u5kC-2r0vA:
12.9		 3u5kC-2r0vA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		4 TRP A 281
PRO A 276
VAL A 260
LEU A 295
 None
 0.94A 3u5kC-2r9yA:
undetectable		 3u5kC-2r9yA:
15.01
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.
2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16739
(CARD_2) 		4 VAL A 391
LEU A 453
LEU A 445
ILE A 381
 None
 0.64A 3u5kC-2vgqA:
undetectable		 3u5kC-2vgqA:
14.01
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PRO A 135
VAL A 158
LEU A  97
ILE A 123
 None
 0.86A 3u5kC-2wd9A:
undetectable		 3u5kC-2wd9A:
13.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wp1 BROMODOMAIN
TESTIS-SPECIFIC
PROTEIN

(Mus musculus) 		PF00439
(Bromodomain) 		6 TRP A 292
PRO A 293
VAL A 298
LEU A 305
ASN A 351
MET A 360
 None
 0.62A 3u5kC-2wp1A:
16.6		 3u5kC-2wp1A:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wp1 BROMODOMAIN
TESTIS-SPECIFIC
PROTEIN

(Mus musculus) 		PF00439
(Bromodomain) 		6 TRP A 292
VAL A 298
LEU A 303
LEU A 305
ASN A 351
MET A 360
 None
 0.76A 3u5kC-2wp1A:
16.6		 3u5kC-2wp1A:
38.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yb5 PUTATIVE FUSIDIC
ACID RESISTANCE
PROTEIN

(Staphylococcus
aureus) 		PF07299
(EF-G-binding_N)
PF16571
(FBP_C) 		4 VAL A  12
LEU A  74
LEU A  77
ILE A  60
 None
 0.93A 3u5kC-2yb5A:
undetectable		 3u5kC-2yb5A:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yek BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		8 TRP A  97
PRO A  98
VAL A 103
LEU A 108
LEU A 110
ASN A 156
ILE A 162
MET A 165
 None
EAM  A1188 (-4.6A)
EAM  A1188 (-4.4A)
EAM  A1188 ( 3.8A)
EAM  A1188 (-4.5A)
EAM  A1188 (-3.2A)
EAM  A1188 (-3.8A)
EAM  A1188 ( 4.1A)
 0.43A 3u5kC-2yekA:
19.7		 3u5kC-2yekA:
70.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdk SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A

(Bacillus
subtilis) 		PF01144
(CoA_trans) 		4 VAL A  51
LEU A  63
LEU A  66
ILE A 155
 None
 0.90A 3u5kC-3cdkA:
undetectable		 3u5kC-3cdkA:
16.33
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 VAL A 247
LEU A 251
LEU A 253
ILE A 237
 None
 0.71A 3u5kC-3ctzA:
undetectable		 3u5kC-3ctzA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A1265
LEU A1104
LEU A1100
ILE A1136
 None
 0.91A 3u5kC-3dlsA:
undetectable		 3u5kC-3dlsA:
16.72
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.
3e4w PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00199
(Catalase) 		4 VAL A 219
LEU A 214
LEU A 210
ILE A  62
 None
 0.94A 3u5kC-3e4wA:
undetectable		 3u5kC-3e4wA:
16.14
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.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		4 VAL A 118
LEU A 100
ILE A  62
MET A  70
 None
 0.92A 3u5kC-3ivrA:
undetectable		 3u5kC-3ivrA:
11.33
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		4 VAL A 212
LEU A 148
LEU A 137
ILE A 256
 None
 0.76A 3u5kC-3k2kA:
undetectable		 3u5kC-3k2kA:
11.87
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		4 VAL A 200
ASN A 124
ILE A 123
MET A 121
 None
 0.82A 3u5kC-3l8dA:
undetectable		 3u5kC-3l8dA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 VAL A  75
LEU A 104
LEU A  77
ILE A  16
 None
 0.92A 3u5kC-3lq1A:
undetectable		 3u5kC-3lq1A:
14.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nxb CAT EYE SYNDROME
CRITICAL REGION
PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		5 TRP A 457
PRO A 458
VAL A 463
ASN A 514
MET A 523
 None
None
EDO  A   1 (-4.3A)
EDO  A   1 (-3.3A)
None
 0.49A 3u5kC-3nxbA:
16.6		 3u5kC-3nxbA:
32.56
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		4 VAL A  54
LEU A  51
LEU A  50
ILE A  39
 None
 0.92A 3u5kC-3oc6A:
undetectable		 3u5kC-3oc6A:
17.50
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 VAL A 445
LEU A 408
LEU A 394
ILE A 489
 None
 0.91A 3u5kC-3oepA:
undetectable		 3u5kC-3oepA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9z UROPORPHYRINOGEN III
COSYNTHASE (HEMD)

(Helicobacter
pylori) 		PF02602
(HEM4) 		4 VAL A 110
LEU A 126
ILE A 101
MET A  88
 None
 0.78A 3u5kC-3p9zA:
undetectable		 3u5kC-3p9zA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr6 TRAPP-ASSOCIATED
PROTEIN TCA17

(Saccharomyces
cerevisiae) 		PF04628
(Sedlin_N) 		4 VAL A   8
LEU A  10
LEU A  19
ILE A 115
 None
 0.86A 3u5kC-3pr6A:
undetectable		 3u5kC-3pr6A:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q2e BROMODOMAIN AND WD
REPEAT-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00439
(Bromodomain) 		4 PRO A1337
VAL A1342
ILE A1400
MET A1403
 None
 0.47A 3u5kC-3q2eA:
16.2		 3u5kC-3q2eA:
33.58
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 VAL A4688
LEU A4705
LEU A4654
ILE A4664
 None
 0.90A 3u5kC-3vkgA:
undetectable		 3u5kC-3vkgA:
3.64
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.
3zgk AVR3A11

(Phytophthora
capsici) 		PF16810
(RXLR) 		4 VAL A  75
LEU A 110
LEU A 106
ILE A  82
 None
 0.84A 3u5kC-3zgkA:
undetectable		 3u5kC-3zgkA:
18.90
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.
3zxo REDOX SENSOR
HISTIDINE KINASE
RESPONSE REGULATOR
DEVS

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		4 VAL A 485
LEU A 456
LEU A 482
ILE A 525
 None
None
None
OCS  A 524 ( 4.0A)
 0.87A 3u5kC-3zxoA:
undetectable		 3u5kC-3zxoA:
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 TRP A 400
VAL A 302
LEU A 292
ILE A 261
 None
 0.87A 3u5kC-4aefA:
undetectable		 3u5kC-4aefA:
13.87
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.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		4 PRO A  98
VAL A 103
LEU A  27
LEU A  29
 None
 0.92A 3u5kC-4aijA:
undetectable		 3u5kC-4aijA:
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		4 VAL A 212
LEU A 148
LEU A 137
ILE A 256
 None
 0.74A 3u5kC-4b6zA:
undetectable		 3u5kC-4b6zA:
13.15
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		4 VAL A 294
LEU A 281
LEU A 303
ILE A 288
 None
 0.84A 3u5kC-4fmzA:
undetectable		 3u5kC-4fmzA:
16.09
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.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 VAL A 444
LEU A 474
LEU A 500
ILE A 458
 None
 0.77A 3u5kC-4glxA:
undetectable		 3u5kC-4glxA:
12.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbx BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		PF00439
(Bromodomain) 		8 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
14X  A 201 (-4.4A)
14X  A 201 (-4.7A)
14X  A 201 (-4.4A)
None
14X  A 201 (-3.1A)
14X  A 201 ( 4.0A)
14X  A 201 (-3.5A)
 0.45A 3u5kC-4hbxA:
24.0		 3u5kC-4hbxA:
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.
4hse CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF00004
(AAA) 		4 VAL A 254
LEU A 251
LEU A 237
ILE A 269
 None
 0.90A 3u5kC-4hseA:
undetectable		 3u5kC-4hseA:
15.03
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		4 PRO B  59
LEU B  80
LEU B  83
ILE B  64
 None
 0.93A 3u5kC-4hzuB:
undetectable		 3u5kC-4hzuB:
16.98
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.
4i1t RNA-DIRECTED RNA
POLYMERASE L

(Cali
mammarenavirus) 		PF17296
(ArenaCapSnatch) 		4 PRO A  87
LEU A 125
LEU A 129
ILE A  71
 None
 0.89A 3u5kC-4i1tA:
2.7		 3u5kC-4i1tA:
21.50
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.
4i62 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING
PROTEIN, PUTATIVE

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		4 PRO A  86
VAL A  42
LEU A  82
ILE A  63
 None
 0.90A 3u5kC-4i62A:
undetectable		 3u5kC-4i62A:
17.88
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.
4jgf GAMMA-CRYSTALLIN D

(Homo sapiens) 		PF00030
(Crystall) 		4 VAL A  75
LEU A  25
LEU A  29
ILE A   3
 None
 0.91A 3u5kC-4jgfA:
undetectable		 3u5kC-4jgfA:
19.75
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 VAL A  50
LEU A  92
LEU A  90
ASN A 597
 None
 0.87A 3u5kC-4k0eA:
undetectable		 3u5kC-4k0eA:
7.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldf GCN5 LIKE ACETYLASE
+ BROMODOMAIN

(Cryptosporidium
parvum) 		PF00439
(Bromodomain) 		4 TRP A  31
PRO A  32
VAL A  37
ASN A  88
 None
None
GOL  A 201 ( 4.9A)
GOL  A 201 (-2.7A)
 0.67A 3u5kC-4ldfA:
15.0		 3u5kC-4ldfA:
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.
4raa PUTATIVE EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF17170
(DUF5128) 		4 VAL A 182
LEU A 164
LEU A 158
ILE A 235
 None
 0.89A 3u5kC-4raaA:
undetectable		 3u5kC-4raaA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkm NADH-DEPENDENT
REDUCTASE FOR
4-DEOXY-L-ERYTHRO-5-
HEXOSEULOSE URONATE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		4 VAL A  76
LEU A  11
LEU A  89
ILE A  66
 None
 0.85A 3u5kC-4tkmA:
undetectable		 3u5kC-4tkmA:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		PF00439
(Bromodomain) 		8 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
 0.25A 3u5kC-4uydA:
23.7		 3u5kC-4uydA:
92.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uyg BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		7 TRP A 370
PRO A 371
VAL A 376
LEU A 381
LEU A 383
ASN A 429
MET A 438
 None
None
73B  A1456 (-4.0A)
73B  A1456 (-4.9A)
73B  A1456 (-4.9A)
73B  A1456 (-3.3A)
73B  A1456 ( 3.8A)
 0.58A 3u5kC-4uygA:
17.6		 3u5kC-4uygA:
34.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03031
(NIF)
PF12738
(PTCB-BRCT) 		4 PRO A 355
LEU A 376
LEU A 377
ILE A 321
 PG4  A 603 (-4.5A)
None
None
None
 0.94A 3u5kC-4xpzA:
undetectable		 3u5kC-4xpzA:
18.08
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.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 PRO A 328
VAL A 374
LEU A 377
ILE A 350
 None
 0.91A 3u5kC-4xz3A:
undetectable		 3u5kC-4xz3A:
12.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z93 BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		PF00439
(Bromodomain) 		7 TRP A 374
PRO A 375
VAL A 380
LEU A 385
LEU A 387
ASN A 433
MET A 442
 4LD  A 501 (-3.9A)
4LD  A 501 (-3.9A)
4LD  A 501 ( 3.8A)
4LD  A 501 (-4.1A)
4LD  A 501 (-4.4A)
4LD  A 501 (-2.8A)
4LD  A 501 ( 3.4A)
 0.52A 3u5kC-4z93A:
17.4		 3u5kC-4z93A:
36.51
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.
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU) 		4 VAL A 708
LEU A 687
LEU A 674
ILE A 659
 VAL  A 708 ( 0.6A)
LEU  A 687 ( 0.6A)
LEU  A 674 ( 0.6A)
ILE  A 659 ( 0.7A)
 0.86A 3u5kC-4zkeA:
undetectable		 3u5kC-4zkeA:
13.76
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.
4zw0 3-HYDROXYACYL-[ACYL-
CARRIER-PROTEIN]
DEHYDRATASE FABZ

(Candidatus
Liberibacter
asiaticus) 		PF07977
(FabA) 		4 VAL A  28
LEU A  15
LEU A  19
ILE A  79
 None
 0.87A 3u5kC-4zw0A:
undetectable		 3u5kC-4zw0A:
18.82
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.
5d9q NIH45-46 SINGLE
CHAIN FV

(Homo sapiens) 		PF07686
(V-set) 		4 VAL D 298
LEU D 213
LEU D 276
ILE D 220
 None
 0.94A 3u5kC-5d9qD:
undetectable		 3u5kC-5d9qD:
19.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hjc BROMODOMAIN-CONTAINI
NG PROTEIN 3

(Homo sapiens) 		PF00439
(Bromodomain) 		7 TRP A 332
PRO A 333
VAL A 338
LEU A 343
LEU A 345
ASN A 391
MET A 400
 None
 0.65A 3u5kC-5hjcA:
17.9		 3u5kC-5hjcA:
39.29
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.
5i2c GATS-LIKE PROTEIN 3

(Homo sapiens) 		PF13840
(ACT_7) 		4 VAL A 133
LEU A 137
ILE A 123
MET A 114
 None
 0.78A 3u5kC-5i2cA:
undetectable		 3u5kC-5i2cA:
13.85
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.
5ido 3' TERMINAL URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		4 VAL A 283
LEU A 280
LEU A 467
ILE A 362
 None
 0.86A 3u5kC-5idoA:
undetectable		 3u5kC-5idoA:
14.16
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.
5izh RNA-DIRECTED RNA
POLYMERASE L

(Lassa
mammarenavirus) 		PF17296
(ArenaCapSnatch) 		4 PRO A  88
LEU A 126
LEU A 130
ILE A  72
 None
 0.87A 3u5kC-5izhA:
4.3		 3u5kC-5izhA:
19.23
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.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 PRO A 219
VAL A 387
LEU A 215
ILE A 105
 None
 0.89A 3u5kC-5k66A:
undetectable		 3u5kC-5k66A:
14.99
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.
5k9h 0940_GH29

(unidentified) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		4 TRP A 188
LEU A 146
LEU A 150
ILE A 204
 None
 0.92A 3u5kC-5k9hA:
undetectable		 3u5kC-5k9hA:
9.83
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL

(Bos taurus) 		PF00346
(Complex1_49kDa) 		4 VAL D 184
LEU D 207
LEU D 203
ILE D 144
 None
 0.70A 3u5kC-5lc5D:
undetectable		 3u5kC-5lc5D:
14.32
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 VAL A 724
LEU A 700
LEU A 696
ILE A 775
 None
 0.90A 3u5kC-5lewA:
undetectable		 3u5kC-5lewA:
8.00
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.
5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		4 PRO A1074
VAL A1079
LEU A1084
ASN A1132
 None
 0.75A 3u5kC-5lkzA:
16.9		 3u5kC-5lkzA:
13.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lpk HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF00439
(Bromodomain) 		4 PRO A1074
VAL A1079
LEU A1084
ASN A1132
 XDM  A1201 (-3.9A)
XDM  A1201 (-4.7A)
XDM  A1201 ( 4.4A)
XDM  A1201 (-3.1A)
 0.65A 3u5kC-5lpkA:
17.1		 3u5kC-5lpkA:
31.34
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.
5mg2 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF00439
(Bromodomain) 		4 TRP A1526
PRO A1527
VAL A1532
ASN A1583
 None
7M8  A1704 (-3.8A)
7M8  A1704 (-3.5A)
7M8  A1704 (-3.1A)
 0.43A 3u5kC-5mg2A:
13.0		 3u5kC-5mg2A:
28.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n13 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans) 		PF00439
(Bromodomain) 		4 PRO A 410
VAL A 415
LEU A 420
MET A 477
 GOL  A 502 (-4.4A)
GOL  A 502 ( 4.0A)
GOL  A 501 ( 4.9A)
None
 0.93A 3u5kC-5n13A:
16.0		 3u5kC-5n13A:
36.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans) 		PF00439
(Bromodomain) 		5 PRO A 233
VAL A 238
ASN A 291
ILE A 297
MET A 300
 IOD  A 405 ( 4.4A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
None
 0.39A 3u5kC-5n15A:
18.1		 3u5kC-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans) 		PF00439
(Bromodomain) 		5 PRO A 233
VAL A 238
LEU A 243
ILE A 297
MET A 300
 IOD  A 405 ( 4.4A)
None
None
IOD  A 404 ( 4.8A)
None
 0.56A 3u5kC-5n15A:
18.1		 3u5kC-5n15A:
35.97
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.93A 3u5kC-5nn8A:
undetectable		 3u5kC-5nn8A:
9.28
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.
5nph HEAVY CHAIN OF FAB
FRAGMENT DERIVED
FROM
NON-NEUTRALIZING
ANTIBODY DAO5

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H 116
LEU H  18
LEU H  86
ILE H  81
 None
 0.87A 3u5kC-5nphH:
undetectable		 3u5kC-5nphH:
15.00
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.
5npi SINGLE CHAIN
VARIABLE FRAGMENT OF
THE NON-NEUTRALIZING
ANTIBODY DAO5

(Mus musculus) 		PF07686
(V-set) 		4 VAL A 116
LEU A  18
LEU A  86
ILE A  81
 None
 0.84A 3u5kC-5npiA:
undetectable		 3u5kC-5npiA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 4 VAL A 534
LEU A 536
LEU A 562
ILE A 526
 None
 0.89A 3u5kC-5nxkA:
undetectable		 3u5kC-5nxkA:
22.90
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 TRP A 492
VAL A 415
LEU A 405
ILE A 374
 None
 0.84A 3u5kC-5ot1A:
undetectable		 3u5kC-5ot1A:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tpx HISTONE
ACETYLTRANSFERASE
GCN5

(Plasmodium
falciparum) 		PF00439
(Bromodomain) 		4 TRP A1379
PRO A1380
VAL A1385
ASN A1436
 None
None
7H7  A1505 (-4.0A)
7H7  A1505 (-3.1A)
 0.69A 3u5kC-5tpxA:
15.9		 3u5kC-5tpxA:
30.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u6v BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		no annotation 7 TRP A 370
PRO A 371
VAL A 376
LEU A 381
LEU A 383
ASN A 429
MET A 438
 None
7WY  A 501 (-4.4A)
7WY  A 501 ( 4.5A)
7WY  A 501 (-4.9A)
None
7WY  A 501 (-3.4A)
7WY  A 501 ( 3.9A)
 0.48A 3u5kC-5u6vA:
17.6		 3u5kC-5u6vA:
40.62
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.
5u7g CREB-BINDING PROTEIN

(Mus musculus) 		PF00439
(Bromodomain)
PF00569
(ZZ)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		4 PRO A1111
VAL A1116
LEU A1121
ASN A1169
 None
 0.60A 3u5kC-5u7gA:
16.7		 3u5kC-5u7gA:
12.76
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.
5u9n BROMO DOMAIN
CONTAINING PROTEIN

(Cryptosporidium
parvum) 		PF00439
(Bromodomain) 		4 VAL A 332
LEU A 338
ASN A 413
ILE A 422
 BMF  A 501 (-4.2A)
BMF  A 501 ( 4.9A)
BMF  A 501 (-2.8A)
BMF  A 501 ( 4.4A)
 0.80A 3u5kC-5u9nA:
14.3		 3u5kC-5u9nA:
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 4 PRO A 359
VAL A 407
LEU A 265
ILE A  92
 None
 0.90A 3u5kC-5uqrA:
undetectable		 3u5kC-5uqrA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usx THIOREDOXIN
REDUCTASE

(Vibrio
vulnificus) 		PF07992
(Pyr_redox_2) 		4 PRO A  54
VAL A  50
LEU A  65
ILE A 296
 None
FAD  A 402 (-3.4A)
None
None
 0.91A 3u5kC-5usxA:
undetectable		 3u5kC-5usxA:
15.81
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.
5v84 CAT EYE SYNDROME
CRITICAL REGION
PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		5 TRP A 457
PRO A 458
VAL A 463
ASN A 514
MET A 523
 None
96V  A 602 (-4.5A)
96V  A 602 (-3.9A)
96V  A 602 (-2.6A)
None
 0.35A 3u5kC-5v84A:
16.6		 3u5kC-5v84A:
28.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbr BROMODOMAIN
TESTIS-SPECIFIC
PROTEIN

(Homo sapiens) 		no annotation 8 TRP A  50
PRO A  51
VAL A  56
LEU A  61
LEU A  63
ASN A 109
ILE A 115
MET A 118
 CL  A 208 (-4.9A)
IBI  A 201 (-4.3A)
IBI  A 201 ( 4.6A)
IBI  A 201 (-4.2A)
IBI  A 201 (-4.9A)
IBI  A 201 (-3.3A)
IBI  A 201 ( 3.8A)
None
 0.55A 3u5kC-5vbrA:
19.1		 3u5kC-5vbrA:
68.18
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.
5vgt GENE 7 PROTEIN

(Shigella virus
Sf6) 		no annotation 4 VAL A 102
LEU A  87
LEU A  91
ILE A  20
 None
 0.90A 3u5kC-5vgtA:
undetectable		 3u5kC-5vgtA:
20.63
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 4 PRO A  83
VAL A  79
LEU A  73
ILE A 326
 None
FAD  A 401 ( 3.8A)
FAD  A 401 (-3.9A)
None
 0.86A 3u5kC-5w4cA:
undetectable		 3u5kC-5w4cA:
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.
5wdu BNAB NIH45-46 SCFV
LIGHT CHAIN

(Homo sapiens) 		no annotation 4 VAL E  98
LEU E  13
LEU E  76
ILE E  20
 None
 0.92A 3u5kC-5wduE:
undetectable		 3u5kC-5wduE:
17.56
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.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 4 VAL A 287
LEU A 269
LEU A 292
ILE A 276
 None
 0.91A 3u5kC-5yq5A:
undetectable		 3u5kC-5yq5A:
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.
6bvp 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		no annotation 4 TRP A  31
VAL A  40
LEU A 107
LEU A  62
 None
 0.92A 3u5kC-6bvpA:
undetectable		 3u5kC-6bvpA:
16.81
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.
6cw0 CGD2_2690 PROTEIN

(Cryptosporidium
parvum) 		no annotation 4 VAL A  30
LEU A  35
LEU A  37
ASN A  83
 R78  A 201 (-4.5A)
R78  A 201 (-4.9A)
None
R78  A 201 (-3.3A)
 0.53A 3u5kC-6cw0A:
16.9		 3u5kC-6cw0A:
26.83
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.
6dne BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		no annotation 8 TRP A  81
PRO A  82
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
 None
H1V  A 501 (-4.6A)
H1V  A 501 ( 4.4A)
H1V  A 501 (-4.2A)
H1V  A 501 (-4.7A)
H1V  A 501 (-3.2A)
H1V  A 501 (-3.8A)
H1V  A 501 ( 3.8A)
 0.45A 3u5kC-6dneA:
23.5		 3u5kC-6dneA:
undetectable