SIMILAR PATTERNS OF AMINO ACIDS FOR 4P65_A_IPHA101

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.
1f6f PLACENTAL LACTOGEN

(Ovis aries)
PF00103
(Hormone_1)
5 LEU A 172
HIS A  98
LEU A  97
ALA A 100
LEU A 157
None
1.09A 4p65A-1f6fA:
undetectable
4p65B-1f6fA:
undetectable
4p65F-1f6fA:
undetectable
4p65H-1f6fA:
undetectable
4p65A-1f6fA:
10.42
4p65B-1f6fA:
12.36
4p65F-1f6fA:
12.36
4p65H-1f6fA:
12.36
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.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP


(Salmonella
enterica)
PF00102
(Y_phosphatase)
PF03545
(YopE)
5 LEU S 218
LEU S 215
ALA S 175
LEU S 183
LEU S 287
None
1.28A 4p65A-1g4uS:
undetectable
4p65B-1g4uS:
undetectable
4p65F-1g4uS:
undetectable
4p65H-1g4uS:
undetectable
4p65A-1g4uS:
5.00
4p65B-1g4uS:
6.65
4p65F-1g4uS:
6.65
4p65H-1g4uS:
6.65
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.
1i7k UBIQUITIN-CONJUGATIN
G ENZYME E2 H10


(Homo sapiens)
PF00179
(UQ_con)
5 LEU A 132
LEU A  83
ALA A  52
LEU A  35
LEU A  42
None
1.02A 4p65A-1i7kA:
undetectable
4p65B-1i7kA:
undetectable
4p65F-1i7kA:
undetectable
4p65H-1i7kA:
undetectable
4p65A-1i7kA:
8.06
4p65B-1i7kA:
9.47
4p65F-1i7kA:
9.47
4p65H-1i7kA:
9.47
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.
1j33 COBT

(Thermus
thermophilus)
PF02277
(DBI_PRT)
5 LEU A 290
LEU A 259
ALA A 258
HIS A 283
LEU A 249
None
1.08A 4p65A-1j33A:
undetectable
4p65B-1j33A:
undetectable
4p65F-1j33A:
undetectable
4p65H-1j33A:
undetectable
4p65A-1j33A:
5.83
4p65B-1j33A:
5.52
4p65F-1j33A:
5.52
4p65H-1j33A:
5.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4y LIVER
CARBOXYLESTERASE


(Oryctolagus
cuniculus)
PF00135
(COesterase)
5 LEU A 372
LEU A 380
ALA A 377
LEU A 420
LEU A 403
None
1.11A 4p65A-1k4yA:
undetectable
4p65B-1k4yA:
undetectable
4p65F-1k4yA:
undetectable
4p65H-1k4yA:
undetectable
4p65A-1k4yA:
15.56
4p65B-1k4yA:
3.65
4p65F-1k4yA:
3.65
4p65H-1k4yA:
3.65
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.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK


(Rattus
norvegicus)
PF07714
(Pkinase_Tyr)
5 LEU A 855
CYH A 698
LEU A 702
ALA A 705
LEU A 791
None
1.00A 4p65A-1lufA:
undetectable
4p65B-1lufA:
undetectable
4p65F-1lufA:
undetectable
4p65H-1lufA:
undetectable
4p65A-1lufA:
4.47
4p65B-1lufA:
6.34
4p65F-1lufA:
6.34
4p65H-1lufA:
6.34
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.
1ojl TRANSCRIPTIONAL
REGULATORY PROTEIN
ZRAR


(Salmonella
enterica)
PF00158
(Sigma54_activat)
PF02954
(HTH_8)
5 LEU A 277
CYH A 198
LEU A 239
ALA A 279
LEU A 302
None
1.18A 4p65A-1ojlA:
undetectable
4p65B-1ojlA:
undetectable
4p65F-1ojlA:
undetectable
4p65H-1ojlA:
undetectable
4p65A-1ojlA:
5.30
4p65B-1ojlA:
8.33
4p65F-1ojlA:
8.33
4p65H-1ojlA:
8.33
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.
1t6p PHENYLALANINE
AMMONIA-LYASE


(Rhodotorula
toruloides)
PF00221
(Lyase_aromatic)
5 CYH A 530
LEU A 440
LEU A 470
ALA A 474
LEU A 523
None
1.28A 4p65A-1t6pA:
undetectable
4p65B-1t6pA:
undetectable
4p65F-1t6pA:
undetectable
4p65H-1t6pA:
undetectable
4p65A-1t6pA:
2.79
4p65B-1t6pA:
4.70
4p65F-1t6pA:
4.70
4p65H-1t6pA:
4.70
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.
1ttw SECRETION CHAPERONE

(Yersinia pestis)
PF05932
(CesT)
5 CYH A  81
LEU A  91
LEU A 119
ALA A  54
LEU A  57
None
0.92A 4p65A-1ttwA:
undetectable
4p65B-1ttwA:
undetectable
4p65F-1ttwA:
undetectable
4p65H-1ttwA:
undetectable
4p65A-1ttwA:
9.35
4p65B-1ttwA:
15.05
4p65F-1ttwA:
15.05
4p65H-1ttwA:
15.05
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G


(Homo sapiens)
PF02020
(W2)
PF02847
(MA3)
5 CYH A1488
LEU A1505
LEU A1550
ALA A1549
LEU A1543
None
1.13A 4p65A-1ug3A:
undetectable
4p65B-1ug3A:
undetectable
4p65F-1ug3A:
undetectable
4p65H-1ug3A:
undetectable
4p65A-1ug3A:
4.55
4p65B-1ug3A:
7.48
4p65F-1ug3A:
7.48
4p65H-1ug3A:
7.48
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.
1wlj INTERFERON
STIMULATED GENE
20KDA


(Homo sapiens)
PF00929
(RNase_T)
5 CYH A  28
LEU A  25
LEU A  98
ALA A  97
LEU A  91
None
1.14A 4p65A-1wljA:
undetectable
4p65B-1wljA:
undetectable
4p65F-1wljA:
undetectable
4p65H-1wljA:
undetectable
4p65A-1wljA:
7.84
4p65B-1wljA:
11.39
4p65F-1wljA:
11.39
4p65H-1wljA:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdk RETINOIC ACID
RECEPTOR, BETA


(Mus musculus)
PF00104
(Hormone_recep)
5 LEU B 348
HIS B 188
LEU B 321
ALA B 324
LEU B 239
None
1.27A 4p65A-1xdkB:
undetectable
4p65B-1xdkB:
undetectable
4p65F-1xdkB:
undetectable
4p65H-1xdkB:
undetectable
4p65A-1xdkB:
7.50
4p65B-1xdkB:
14.16
4p65F-1xdkB:
14.16
4p65H-1xdkB:
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.
1xm9 PLAKOPHILIN 1

(Homo sapiens)
PF00514
(Arm)
5 LEU A 296
LEU A 311
ALA A 308
LEU A 357
LEU A 350
None
1.11A 4p65A-1xm9A:
undetectable
4p65B-1xm9A:
undetectable
4p65F-1xm9A:
undetectable
4p65H-1xm9A:
undetectable
4p65A-1xm9A:
3.86
4p65B-1xm9A:
6.67
4p65F-1xm9A:
6.67
4p65H-1xm9A:
6.67
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.
1zel HYPOTHETICAL PROTEIN
RV2827C


(Mycobacterium
tuberculosis)
PF09407
(AbiEi_1)
PF13338
(AbiEi_4)
5 CYH A 211
LEU A 184
LEU A 235
ALA A 231
LEU A 220
None
1.12A 4p65A-1zelA:
undetectable
4p65B-1zelA:
undetectable
4p65F-1zelA:
undetectable
4p65H-1zelA:
undetectable
4p65A-1zelA:
4.48
4p65B-1zelA:
8.98
4p65F-1zelA:
8.98
4p65H-1zelA:
8.98
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.
2bnh RIBONUCLEASE
INHIBITOR


(Sus scrofa)
PF13516
(LRR_6)
5 CYH A  97
LEU A  92
LEU A 115
LEU A 104
LEU A  72
None
1.23A 4p65A-2bnhA:
undetectable
4p65B-2bnhA:
undetectable
4p65F-2bnhA:
undetectable
4p65H-2bnhA:
undetectable
4p65A-2bnhA:
8.42
4p65B-2bnhA:
6.59
4p65F-2bnhA:
6.59
4p65H-2bnhA:
6.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cje DUTPASE

(Leishmania
major)
PF08761
(dUTPase_2)
5 LEU A 209
HIS A 180
ALA A 178
HIS A  82
LEU A  24
None
None
None
DUN  A1266 (-3.7A)
DUN  A1266 (-4.4A)
1.15A 4p65A-2cjeA:
undetectable
4p65B-2cjeA:
undetectable
4p65F-2cjeA:
undetectable
4p65H-2cjeA:
undetectable
4p65A-2cjeA:
7.66
4p65B-2cjeA:
12.03
4p65F-2cjeA:
12.03
4p65H-2cjeA:
12.03
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.
2d96 NUCLEAR FACTOR
NF-KAPPA-B P100
SUBUNIT


(Homo sapiens)
PF00531
(Death)
5 LEU A  36
LEU A  77
ALA A  76
LEU A  70
LEU A  40
None
1.07A 4p65A-2d96A:
undetectable
4p65B-2d96A:
undetectable
4p65F-2d96A:
undetectable
4p65H-2d96A:
undetectable
4p65A-2d96A:
9.17
4p65B-2d96A:
15.84
4p65F-2d96A:
15.84
4p65H-2d96A:
15.84
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN


(Homo sapiens)
PF00128
(Alpha-amylase)
5 LEU A 513
LEU A 515
ALA A 475
LEU A 466
LEU A 477
None
1.18A 4p65A-2dh3A:
undetectable
4p65B-2dh3A:
undetectable
4p65F-2dh3A:
undetectable
4p65H-2dh3A:
undetectable
4p65A-2dh3A:
4.29
4p65B-2dh3A:
5.72
4p65F-2dh3A:
5.72
4p65H-2dh3A:
5.72
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.
2e2c UBIQUITIN
CONJUGATING ENZYME


(Spisula
solidissima)
PF00179
(UQ_con)
5 LEU A 132
LEU A  83
ALA A  52
LEU A  35
LEU A  42
None
1.08A 4p65A-2e2cA:
undetectable
4p65B-2e2cA:
undetectable
4p65F-2e2cA:
undetectable
4p65H-2e2cA:
undetectable
4p65A-2e2cA:
9.68
4p65B-2e2cA:
9.15
4p65F-2e2cA:
9.15
4p65H-2e2cA:
9.15
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE


(Coffea
canephora)
PF03492
(Methyltransf_7)
5 LEU A  47
CYH A  38
LEU A  42
ALA A  45
LEU A 287
None
1.07A 4p65A-2efjA:
undetectable
4p65B-2efjA:
undetectable
4p65F-2efjA:
undetectable
4p65H-2efjA:
undetectable
4p65A-2efjA:
6.36
4p65B-2efjA:
6.16
4p65F-2efjA:
6.16
4p65H-2efjA:
6.16
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.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris)
PF12146
(Hydrolase_4)
5 LEU A 132
CYH A  43
LEU A  97
ALA A 101
LEU A 113
None
1.19A 4p65A-2fukA:
undetectable
4p65B-2fukA:
undetectable
4p65F-2fukA:
undetectable
4p65H-2fukA:
undetectable
4p65A-2fukA:
7.45
4p65B-2fukA:
7.31
4p65F-2fukA:
7.31
4p65H-2fukA:
7.31
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE


(Anabaena sp.)
PF05996
(Fe_bilin_red)
5 LEU A  84
LEU A  20
ALA A  21
LEU A 181
LEU A  72
None
1.23A 4p65A-2g18A:
undetectable
4p65B-2g18A:
undetectable
4p65F-2g18A:
undetectable
4p65H-2g18A:
undetectable
4p65A-2g18A:
6.70
4p65B-2g18A:
10.00
4p65F-2g18A:
10.00
4p65H-2g18A:
10.00
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.
2g8l 287AA LONG
HYPOTHETICAL PROTEIN


(Pyrococcus
horikoshii)
PF01937
(DUF89)
5 LEU A 167
CYH A 280
LEU A 259
ALA A 104
LEU A 133
None
1.13A 4p65A-2g8lA:
undetectable
4p65B-2g8lA:
undetectable
4p65F-2g8lA:
undetectable
4p65H-2g8lA:
undetectable
4p65A-2g8lA:
4.42
4p65B-2g8lA:
7.17
4p65F-2g8lA:
7.17
4p65H-2g8lA:
7.17
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.
2gnw NON-SYMBIOTIC
HEMOGLOBIN 1


(Oryza sativa)
PF00042
(Globin)
5 LEU A 101
HIS A 152
LEU A 153
ALA A 156
LEU A  88
None
None
HEM  A 166 ( 4.7A)
None
None
1.10A 4p65A-2gnwA:
undetectable
4p65B-2gnwA:
undetectable
4p65F-2gnwA:
undetectable
4p65H-2gnwA:
undetectable
4p65A-2gnwA:
5.45
4p65B-2gnwA:
9.70
4p65F-2gnwA:
9.70
4p65H-2gnwA:
9.70
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT


(Thermus
aquaticus)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
5 LEU A 318
HIS A 385
LEU A 384
ALA A 387
LEU A 431
None
1.24A 4p65A-2hpiA:
undetectable
4p65B-2hpiA:
undetectable
4p65F-2hpiA:
undetectable
4p65H-2hpiA:
undetectable
4p65A-2hpiA:
1.55
4p65B-2hpiA:
2.42
4p65F-2hpiA:
2.42
4p65H-2hpiA:
2.42
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.
2lxp UBIQUITIN-CONJUGATIN
G ENZYME E2 G2


(Homo sapiens)
PF00179
(UQ_con)
5 LEU A 120
LEU A  58
ALA A  26
LEU A   9
LEU A  16
None
0.93A 4p65A-2lxpA:
undetectable
4p65B-2lxpA:
undetectable
4p65F-2lxpA:
undetectable
4p65H-2lxpA:
undetectable
4p65A-2lxpA:
11.30
4p65B-2lxpA:
12.30
4p65F-2lxpA:
12.30
4p65H-2lxpA:
12.30
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.
2no5 (S)-2-HALOACID
DEHALOGENASE IVA


(Burkholderia
cepacia)
PF13419
(HAD_2)
5 CYH A 142
LEU A 126
ALA A  12
LEU A 105
LEU A  17
None
None
ASL  A  11 ( 3.3A)
None
None
1.23A 4p65A-2no5A:
undetectable
4p65B-2no5A:
undetectable
4p65F-2no5A:
undetectable
4p65H-2no5A:
undetectable
4p65A-2no5A:
20.34
4p65B-2no5A:
8.56
4p65F-2no5A:
8.56
4p65H-2no5A:
8.56
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.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
5 CYH A 384
LEU A 308
HIS A 396
LEU A 300
LEU A 391
None
1.22A 4p65A-2p54A:
undetectable
4p65B-2p54A:
undetectable
4p65F-2p54A:
undetectable
4p65H-2p54A:
undetectable
4p65A-2p54A:
5.66
4p65B-2p54A:
10.00
4p65F-2p54A:
10.00
4p65H-2p54A:
10.00
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.
2pbj PROSTAGLANDIN E
SYNTHASE 2


(Macaca
fascicularis)
PF13417
(GST_N_3)
5 LEU A 182
LEU A 162
ALA A 153
LEU A 120
LEU A 100
None
1.12A 4p65A-2pbjA:
undetectable
4p65B-2pbjA:
undetectable
4p65F-2pbjA:
undetectable
4p65H-2pbjA:
undetectable
4p65A-2pbjA:
3.79
4p65B-2pbjA:
9.02
4p65F-2pbjA:
9.02
4p65H-2pbjA:
9.02
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.
2q0f RNA URIDYLYL
TRANSFERASE


(Trypanosoma
brucei)
PF03828
(PAP_assoc)
5 HIS A 320
LEU A 321
ALA A 324
LEU A 177
LEU A 329
None
1.09A 4p65A-2q0fA:
undetectable
4p65B-2q0fA:
undetectable
4p65F-2q0fA:
undetectable
4p65H-2q0fA:
undetectable
4p65A-2q0fA:
5.48
4p65B-2q0fA:
6.34
4p65F-2q0fA:
6.34
4p65H-2q0fA:
6.34
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.
2q0f RNA URIDYLYL
TRANSFERASE


(Trypanosoma
brucei)
PF03828
(PAP_assoc)
5 LEU A 245
HIS A 320
ALA A 324
LEU A 177
LEU A 329
None
1.18A 4p65A-2q0fA:
undetectable
4p65B-2q0fA:
undetectable
4p65F-2q0fA:
undetectable
4p65H-2q0fA:
undetectable
4p65A-2q0fA:
5.48
4p65B-2q0fA:
6.34
4p65F-2q0fA:
6.34
4p65H-2q0fA:
6.34
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans)
PF14498
(Glyco_hyd_65N_2)
5 LEU A 234
LEU A 244
ALA A 220
LEU A 159
LEU A 227
None
1.21A 4p65A-2rdyA:
undetectable
4p65B-2rdyA:
undetectable
4p65F-2rdyA:
undetectable
4p65H-2rdyA:
undetectable
4p65A-2rdyA:
7.14
4p65B-2rdyA:
4.65
4p65F-2rdyA:
4.65
4p65H-2rdyA:
4.65
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE


(Pseudomonas
aeruginosa)
PF01494
(FAD_binding_3)
5 HIS A  24
LEU A  23
ALA A  22
LEU A 121
LEU A  60
None
1.24A 4p65A-2rgjA:
undetectable
4p65B-2rgjA:
undetectable
4p65F-2rgjA:
undetectable
4p65H-2rgjA:
undetectable
4p65A-2rgjA:
3.91
4p65B-2rgjA:
4.99
4p65F-2rgjA:
4.99
4p65H-2rgjA:
4.99
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.
2vg2 UNDECAPRENYL
PYROPHOSPHATE
SYNTHETASE


(Mycobacterium
tuberculosis)
PF01255
(Prenyltransf)
5 CYH A 283
LEU A 279
LEU A 110
ALA A 107
LEU A 115
None
1.21A 4p65A-2vg2A:
undetectable
4p65B-2vg2A:
undetectable
4p65F-2vg2A:
undetectable
4p65H-2vg2A:
undetectable
4p65A-2vg2A:
10.00
4p65B-2vg2A:
9.33
4p65F-2vg2A:
9.33
4p65H-2vg2A:
9.33
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.
2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN


(Clostridium
botulinum)
PF07952
(Toxin_trans)
5 LEU B 815
LEU B 699
ALA B 698
LEU B 837
LEU B 681
None
1.19A 4p65A-2w2dB:
undetectable
4p65B-2w2dB:
undetectable
4p65F-2w2dB:
undetectable
4p65H-2w2dB:
undetectable
4p65A-2w2dB:
6.76
4p65B-2w2dB:
6.14
4p65F-2w2dB:
6.14
4p65H-2w2dB:
6.14
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.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus)
PF00266
(Aminotran_5)
5 LEU A 367
CYH A 346
LEU A 403
ALA A 369
LEU A 361
None
1.12A 4p65A-3a9xA:
undetectable
4p65B-3a9xA:
undetectable
4p65F-3a9xA:
undetectable
4p65H-3a9xA:
undetectable
4p65A-3a9xA:
5.62
4p65B-3a9xA:
5.57
4p65F-3a9xA:
5.57
4p65H-3a9xA:
5.57
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.
3aq0 GERANYL DIPHOSPHATE
SYNTHASE


(Arabidopsis
thaliana)
PF00348
(polyprenyl_synt)
5 LEU A 197
LEU A 165
ALA A 161
LEU A 139
LEU A 158
None
FPP  A1002 ( 4.6A)
None
None
None
1.27A 4p65A-3aq0A:
undetectable
4p65B-3aq0A:
undetectable
4p65F-3aq0A:
undetectable
4p65H-3aq0A:
undetectable
4p65A-3aq0A:
4.03
4p65B-3aq0A:
8.80
4p65F-3aq0A:
8.80
4p65H-3aq0A:
8.80
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.
3cit SENSOR HISTIDINE
KINASE


(Pseudomonas
syringae group
genomosp. 3)
no annotation 5 LEU A 131
LEU A  51
ALA A  54
LEU A 155
LEU A 148
None
0.99A 4p65A-3citA:
undetectable
4p65B-3citA:
undetectable
4p65F-3citA:
undetectable
4p65H-3citA:
undetectable
4p65A-3citA:
11.90
4p65B-3citA:
14.41
4p65F-3citA:
14.41
4p65H-3citA:
14.41
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1


(Bacillus
subtilis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
5 LEU A 206
CYH A 214
LEU A 212
ALA A  19
LEU A  32
None
1.09A 4p65A-3e7wA:
undetectable
4p65B-3e7wA:
undetectable
4p65F-3e7wA:
undetectable
4p65H-3e7wA:
undetectable
4p65A-3e7wA:
3.91
4p65B-3e7wA:
7.97
4p65F-3e7wA:
7.97
4p65H-3e7wA:
7.97
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.
3h0r ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B


(Aquifex
aeolicus)
PF02637
(GatB_Yqey)
PF02934
(GatB_N)
5 CYH B 194
LEU B  11
LEU B 170
ALA B 166
LEU B 227
None
1.19A 4p65A-3h0rB:
undetectable
4p65B-3h0rB:
undetectable
4p65F-3h0rB:
undetectable
4p65H-3h0rB:
undetectable
4p65A-3h0rB:
8.43
4p65B-3h0rB:
4.83
4p65F-3h0rB:
4.83
4p65H-3h0rB:
4.83
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
5 LEU A 908
HIS A 639
LEU A 640
ALA A 924
LEU A 926
None
1.19A 4p65A-3hmjA:
undetectable
4p65B-3hmjA:
undetectable
4p65F-3hmjA:
undetectable
4p65H-3hmjA:
undetectable
4p65A-3hmjA:
1.88
4p65B-3hmjA:
2.84
4p65F-3hmjA:
2.84
4p65H-3hmjA:
2.84
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE


(Actinomadura
kijaniata)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 LEU A 313
LEU A 262
ALA A  83
LEU A 305
LEU A  14
None
1.28A 4p65A-3m9vA:
undetectable
4p65B-3m9vA:
undetectable
4p65F-3m9vA:
undetectable
4p65H-3m9vA:
undetectable
4p65A-3m9vA:
3.55
4p65B-3m9vA:
10.26
4p65F-3m9vA:
10.26
4p65H-3m9vA:
10.26
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.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B


(Homo sapiens)
PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS)
5 LEU A 491
LEU A 302
ALA A 305
LEU A 463
LEU A 407
None
1.09A 4p65A-3mdyA:
undetectable
4p65B-3mdyA:
undetectable
4p65F-3mdyA:
undetectable
4p65H-3mdyA:
undetectable
4p65A-3mdyA:
5.65
4p65B-3mdyA:
5.97
4p65F-3mdyA:
5.97
4p65H-3mdyA:
5.97
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.
3owc PROBABLE
ACETYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
5 CYH A  81
LEU A  14
LEU A 116
ALA A 115
LEU A  12
None
1.23A 4p65A-3owcA:
undetectable
4p65B-3owcA:
undetectable
4p65F-3owcA:
undetectable
4p65H-3owcA:
undetectable
4p65A-3owcA:
7.49
4p65B-3owcA:
11.89
4p65F-3owcA:
11.89
4p65H-3owcA:
11.89
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.
3oxn PUTATIVE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY


(Vibrio
parahaemolyticus)
PF03466
(LysR_substrate)
5 LEU A 232
CYH A 192
LEU A 282
HIS A 215
LEU A 211
None
1.19A 4p65A-3oxnA:
undetectable
4p65B-3oxnA:
undetectable
4p65F-3oxnA:
undetectable
4p65H-3oxnA:
undetectable
4p65A-3oxnA:
6.87
4p65B-3oxnA:
11.52
4p65F-3oxnA:
11.52
4p65H-3oxnA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE


(Rhodopseudomonas
palustris)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
5 LEU A 327
CYH A 292
ALA A 332
LEU A 294
LEU A 317
None
1.26A 4p65A-3pfoA:
undetectable
4p65B-3pfoA:
undetectable
4p65F-3pfoA:
undetectable
4p65H-3pfoA:
undetectable
4p65A-3pfoA:
3.83
4p65B-3pfoA:
6.67
4p65F-3pfoA:
6.67
4p65H-3pfoA:
6.67
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.
3r7p RIBOSOMAL PROTEIN
3/HOMING
ENDONUCLEASE-LIKE
FUSION PROTEIN


(Leptographium
truncatum)
PF00961
(LAGLIDADG_1)
5 LEU A 139
HIS A 127
LEU A 121
ALA A 118
LEU A  34
None
1.28A 4p65A-3r7pA:
undetectable
4p65B-3r7pA:
undetectable
4p65F-3r7pA:
undetectable
4p65H-3r7pA:
undetectable
4p65A-3r7pA:
8.44
4p65B-3r7pA:
9.90
4p65F-3r7pA:
9.90
4p65H-3r7pA:
9.90
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 CYH A  55
CYH A   6
LEU A   7
LEU A  84
ALA A  39
None
1.26A 4p65A-3rj8A:
undetectable
4p65B-3rj8A:
undetectable
4p65F-3rj8A:
undetectable
4p65H-3rj8A:
undetectable
4p65A-3rj8A:
4.45
4p65B-3rj8A:
5.84
4p65F-3rj8A:
5.84
4p65H-3rj8A:
5.84
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.
3sdi PROTEASOME COMPONENT
PRE5


(Saccharomyces
cerevisiae)
PF00227
(Proteasome)
PF10584
(Proteasome_A_N)
5 CYH E  70
LEU E  92
ALA E 112
HIS E  73
LEU E 107
None
0.93A 4p65A-3sdiE:
undetectable
4p65B-3sdiE:
undetectable
4p65F-3sdiE:
undetectable
4p65H-3sdiE:
undetectable
4p65A-3sdiE:
13.95
4p65B-3sdiE:
9.91
4p65F-3sdiE:
9.91
4p65H-3sdiE:
9.91
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE


(Entamoeba
histolytica)
PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C)
5 CYH A 298
LEU A 292
LEU A 332
LEU A 388
LEU A 382
None
1.24A 4p65A-3so4A:
undetectable
4p65B-3so4A:
undetectable
4p65F-3so4A:
undetectable
4p65H-3so4A:
undetectable
4p65A-3so4A:
5.50
4p65B-3so4A:
3.95
4p65F-3so4A:
3.95
4p65H-3so4A:
3.95
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.
3su8 PLEXIN-B1

(Homo sapiens)
PF08337
(Plexin_cytopl)
5 HIS X2089
LEU X2088
ALA X2087
LEU X1589
LEU X1585
None
1.21A 4p65A-3su8X:
undetectable
4p65B-3su8X:
undetectable
4p65F-3su8X:
undetectable
4p65H-3su8X:
undetectable
4p65A-3su8X:
3.36
4p65B-3su8X:
7.45
4p65F-3su8X:
7.45
4p65H-3su8X:
7.45
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.
3t5q NUCLEOPROTEIN

(Mopeia Lassa
virus
reassortant 29)
PF00843
(Arena_nucleocap)
5 CYH A 186
HIS A  40
LEU A  38
ALA A  35
LEU A 195
None
PO4  A 341 ( 4.7A)
None
None
None
1.28A 4p65A-3t5qA:
undetectable
4p65B-3t5qA:
undetectable
4p65F-3t5qA:
undetectable
4p65H-3t5qA:
undetectable
4p65A-3t5qA:
5.63
4p65B-3t5qA:
5.59
4p65F-3t5qA:
5.59
4p65H-3t5qA:
5.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 CYH A  66
LEU A 225
HIS A 119
ALA A 116
LEU A 147
None
None
ZN  A 261 (-3.2A)
None
None
1.25A 4p65A-3uyqA:
undetectable
4p65B-3uyqA:
undetectable
4p65F-3uyqA:
undetectable
4p65H-3uyqA:
undetectable
4p65A-3uyqA:
11.50
4p65B-3uyqA:
12.72
4p65F-3uyqA:
12.72
4p65H-3uyqA:
12.72
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes)
PF00089
(Trypsin)
5 LEU A 831
HIS A 813
LEU A 812
ALA A 850
LEU A 852
None
1.27A 4p65A-3w94A:
undetectable
4p65B-3w94A:
undetectable
4p65F-3w94A:
undetectable
4p65H-3w94A:
undetectable
4p65A-3w94A:
4.72
4p65B-3w94A:
9.01
4p65F-3w94A:
9.01
4p65H-3w94A:
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.
3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE


(Delftia sp.
HT23)
PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat)
5 LEU A  67
CYH A 103
LEU A  98
ALA A  95
LEU A 107
None
1.09A 4p65A-3wqfA:
undetectable
4p65B-3wqfA:
undetectable
4p65F-3wqfA:
undetectable
4p65H-3wqfA:
undetectable
4p65A-3wqfA:
3.85
4p65B-3wqfA:
7.69
4p65F-3wqfA:
7.69
4p65H-3wqfA:
7.69
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL


(Homo sapiens)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD)
5 LEU A 567
LEU A 249
ALA A 570
HIS A 578
LEU A 571
None
1.23A 4p65A-4ah6A:
undetectable
4p65B-4ah6A:
undetectable
4p65F-4ah6A:
undetectable
4p65H-4ah6A:
undetectable
4p65A-4ah6A:
2.42
4p65B-4ah6A:
5.30
4p65F-4ah6A:
5.30
4p65H-4ah6A:
5.30
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.
4dkb DEOXYURIDINE
TRIPHOSPHATASE


(Trypanosoma
brucei)
PF08761
(dUTPase_2)
5 LEU A 238
HIS A 209
ALA A 207
HIS A  82
LEU A  24
None
None
None
DUN  A 303 (-3.7A)
DUN  A 303 (-4.3A)
1.09A 4p65A-4dkbA:
undetectable
4p65B-4dkbA:
undetectable
4p65F-4dkbA:
undetectable
4p65H-4dkbA:
undetectable
4p65A-4dkbA:
5.04
4p65B-4dkbA:
7.53
4p65F-4dkbA:
7.53
4p65H-4dkbA:
7.53
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.
4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE


(Synechocystis
sp. PCC 6803)
PF05996
(Fe_bilin_red)
5 LEU A  87
LEU A  24
ALA A  25
LEU A 184
LEU A  75
None
1.24A 4p65A-4eocA:
undetectable
4p65B-4eocA:
undetectable
4p65F-4eocA:
undetectable
4p65H-4eocA:
undetectable
4p65A-4eocA:
8.67
4p65B-4eocA:
9.74
4p65F-4eocA:
9.74
4p65H-4eocA:
9.74
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae)
PF00275
(EPSP_synthase)
5 CYH A 273
LEU A 417
ALA A 418
LEU A 350
LEU A 375
None
1.26A 4p65A-4fqdA:
undetectable
4p65B-4fqdA:
undetectable
4p65F-4fqdA:
undetectable
4p65H-4fqdA:
undetectable
4p65A-4fqdA:
3.82
4p65B-4fqdA:
4.30
4p65F-4fqdA:
4.30
4p65H-4fqdA:
4.30
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.
4g3a CLIP-ASSOCIATING
PROTEIN


(Drosophila
melanogaster)
PF12348
(CLASP_N)
5 LEU A  31
LEU A  35
ALA A  72
LEU A  80
LEU A  54
None
1.15A 4p65A-4g3aA:
undetectable
4p65B-4g3aA:
undetectable
4p65F-4g3aA:
undetectable
4p65H-4g3aA:
undetectable
4p65A-4g3aA:
7.98
4p65B-4g3aA:
9.27
4p65F-4g3aA:
9.27
4p65H-4g3aA:
9.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gax AMORPHA-4,11-DIENE
SYNTHASE


(Artemisia annua)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
5 CYH A 119
LEU A 160
ALA A 163
HIS A 125
LEU A 146
None
1.27A 4p65A-4gaxA:
undetectable
4p65B-4gaxA:
undetectable
4p65F-4gaxA:
undetectable
4p65H-4gaxA:
undetectable
4p65A-4gaxA:
2.90
4p65B-4gaxA:
4.32
4p65F-4gaxA:
4.32
4p65H-4gaxA:
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.
4gis ENOLASE

(Vibrio harveyi)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 CYH A 279
CYH A 297
LEU A 293
ALA A 290
LEU A 323
None
1.26A 4p65A-4gisA:
undetectable
4p65B-4gisA:
undetectable
4p65F-4gisA:
undetectable
4p65H-4gisA:
undetectable
4p65A-4gisA:
4.79
4p65B-4gisA:
6.94
4p65F-4gisA:
6.94
4p65H-4gisA:
6.94
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica)
PF00871
(Acetate_kinase)
5 CYH A 197
CYH A 206
LEU A 227
LEU A 199
HIS A 172
None
1.22A 4p65A-4h0oA:
undetectable
4p65B-4h0oA:
undetectable
4p65F-4h0oA:
undetectable
4p65H-4h0oA:
undetectable
4p65A-4h0oA:
3.98
4p65B-4h0oA:
6.88
4p65F-4h0oA:
6.88
4p65H-4h0oA:
6.88
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.
4ivn TRANSCRIPTIONAL
REGULATOR


(Vibrio
vulnificus)
PF01380
(SIS)
PF01418
(HTH_6)
5 LEU A   8
LEU A  30
ALA A  33
LEU A  58
LEU A  74
None
1.17A 4p65A-4ivnA:
undetectable
4p65B-4ivnA:
undetectable
4p65F-4ivnA:
undetectable
4p65H-4ivnA:
undetectable
4p65A-4ivnA:
5.78
4p65B-4ivnA:
8.05
4p65F-4ivnA:
8.05
4p65H-4ivnA:
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A


(Mus musculus)
PF13516
(LRR_6)
5 LEU A 288
LEU A 258
ALA A 263
LEU A 251
LEU A 296
None
1.24A 4p65A-4k17A:
undetectable
4p65B-4k17A:
undetectable
4p65F-4k17A:
undetectable
4p65H-4k17A:
undetectable
4p65A-4k17A:
2.62
4p65B-4k17A:
4.19
4p65F-4k17A:
4.19
4p65H-4k17A:
4.19
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN


(Archaeoglobus
fulgidus)
PF03787
(RAMPs)
5 CYH A 130
LEU A 158
LEU A 164
LEU A 181
LEU A 167
None
1.24A 4p65A-4l6uA:
undetectable
4p65B-4l6uA:
undetectable
4p65F-4l6uA:
undetectable
4p65H-4l6uA:
undetectable
4p65A-4l6uA:
8.94
4p65B-4l6uA:
7.14
4p65F-4l6uA:
7.14
4p65H-4l6uA:
7.14
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN


(Salmonella
enterica)
PF00006
(ATP-synt_ab)
5 LEU A 230
LEU A 254
ALA A 251
LEU A 325
LEU A 249
None
0.86A 4p65A-4nphA:
undetectable
4p65B-4nphA:
undetectable
4p65F-4nphA:
undetectable
4p65H-4nphA:
undetectable
4p65A-4nphA:
5.99
4p65B-4nphA:
8.98
4p65F-4nphA:
8.98
4p65H-4nphA:
8.98
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE


(Pyrococcus
horikoshii)
PF01137
(RTC)
PF05189
(RTC_insert)
5 CYH A 279
LEU A 245
ALA A 139
LEU A 292
LEU A 284
None
1.17A 4p65A-4o89A:
undetectable
4p65B-4o89A:
undetectable
4p65F-4o89A:
undetectable
4p65H-4o89A:
undetectable
4p65A-4o89A:
8.28
4p65B-4o89A:
7.54
4p65F-4o89A:
7.54
4p65H-4o89A:
7.54
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE


(Pyrococcus
horikoshii)
PF01137
(RTC)
PF05189
(RTC_insert)
5 CYH A 279
LEU A 245
LEU A 177
ALA A 139
LEU A 284
None
1.20A 4p65A-4o89A:
undetectable
4p65B-4o89A:
undetectable
4p65F-4o89A:
undetectable
4p65H-4o89A:
undetectable
4p65A-4o89A:
8.28
4p65B-4o89A:
7.54
4p65F-4o89A:
7.54
4p65H-4o89A:
7.54
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.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Neisseria
meningitidis)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
5 LEU A 216
LEU A 213
ALA A 212
LEU A 252
LEU A 277
None
0.96A 4p65A-4ppzA:
undetectable
4p65B-4ppzA:
undetectable
4p65F-4ppzA:
undetectable
4p65H-4ppzA:
undetectable
4p65A-4ppzA:
4.92
4p65B-4ppzA:
7.89
4p65F-4ppzA:
7.89
4p65H-4ppzA:
7.89
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.
4rq9 PHOTORECEPTOR-HISTID
INE KINASE BPHP


(Stigmatella
aurantiaca)
PF01590
(GAF)
PF08446
(PAS_2)
5 LEU A  89
LEU A  95
ALA A 112
LEU A  68
LEU A 119
None
1.21A 4p65A-4rq9A:
undetectable
4p65B-4rq9A:
undetectable
4p65F-4rq9A:
undetectable
4p65H-4rq9A:
undetectable
4p65A-4rq9A:
5.49
4p65B-4rq9A:
6.69
4p65F-4rq9A:
6.69
4p65H-4rq9A:
6.69
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.
4wj7 MALCAVERNIN

(Homo sapiens)
no annotation 5 LEU A  70
HIS A 151
LEU A 152
ALA A 199
LEU A 105
None
1.22A 4p65A-4wj7A:
undetectable
4p65B-4wj7A:
undetectable
4p65F-4wj7A:
undetectable
4p65H-4wj7A:
undetectable
4p65A-4wj7A:
6.75
4p65B-4wj7A:
14.07
4p65F-4wj7A:
14.07
4p65H-4wj7A:
14.07
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.
4wja UNCHARACTERIZED
PROTEIN C9ORF142


(Homo sapiens)
PF15384
(PAXX)
5 CYH A  22
LEU A  87
ALA A  94
LEU A  47
LEU A  89
None
1.05A 4p65A-4wjaA:
undetectable
4p65B-4wjaA:
undetectable
4p65F-4wjaA:
undetectable
4p65H-4wjaA:
undetectable
4p65A-4wjaA:
11.46
4p65B-4wjaA:
11.18
4p65F-4wjaA:
11.18
4p65H-4wjaA:
11.18
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6)
PF13417
(GST_N_3)
5 LEU A 102
LEU A 106
ALA A 191
LEU A 213
LEU A 179
None
1.28A 4p65A-4yamA:
undetectable
4p65B-4yamA:
undetectable
4p65F-4yamA:
undetectable
4p65H-4yamA:
undetectable
4p65A-4yamA:
6.42
4p65B-4yamA:
7.12
4p65F-4yamA:
7.12
4p65H-4yamA:
7.12
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 CYH A 722
LEU A 719
LEU A 564
ALA A 567
LEU A 655
None
1.26A 4p65A-4yffA:
undetectable
4p65B-4yffA:
undetectable
4p65F-4yffA:
undetectable
4p65H-4yffA:
undetectable
4p65A-4yffA:
4.90
4p65B-4yffA:
8.29
4p65F-4yffA:
8.29
4p65H-4yffA:
8.29
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.
4yii UBIQUITIN-CONJUGATIN
G ENZYME E2 C


(Homo sapiens)
PF00179
(UQ_con)
5 LEU U 132
LEU U  83
ALA U  52
LEU U  35
LEU U  42
None
1.08A 4p65A-4yiiU:
undetectable
4p65B-4yiiU:
undetectable
4p65F-4yiiU:
undetectable
4p65H-4yiiU:
undetectable
4p65A-4yiiU:
8.06
4p65B-4yiiU:
11.03
4p65F-4yiiU:
11.03
4p65H-4yiiU:
11.03
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE


(Bacillus cereus)
PF05547
(Peptidase_M6)
5 LEU A 169
HIS A 275
LEU A 274
ALA A 277
LEU A 241
None
1.18A 4p65A-4yu5A:
undetectable
4p65B-4yu5A:
undetectable
4p65F-4yu5A:
undetectable
4p65H-4yu5A:
undetectable
4p65A-4yu5A:
2.58
4p65B-4yu5A:
3.94
4p65F-4yu5A:
3.94
4p65H-4yu5A:
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum)
PF00784
(MyTH4)
5 LEU A 466
LEU A 524
ALA A 516
LEU A 497
LEU A 514
None
1.24A 4p65A-5ejyA:
undetectable
4p65B-5ejyA:
undetectable
4p65F-5ejyA:
undetectable
4p65H-5ejyA:
undetectable
4p65A-5ejyA:
7.26
4p65B-5ejyA:
4.74
4p65F-5ejyA:
4.74
4p65H-5ejyA:
4.74
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.
5fje COPPER STORAGE
PROTEIN 1


(Methylosinus
trichosporium)
no annotation 5 CYH A 110
LEU A  58
CYH A 117
ALA A  61
LEU A  19
CU1  A1127 ( 2.1A)
CU1  A1127 ( 4.2A)
CU1  A1123 ( 2.1A)
None
CU1  A1123 (-4.9A)
1.19A 4p65A-5fjeA:
undetectable
4p65B-5fjeA:
undetectable
4p65F-5fjeA:
undetectable
4p65H-5fjeA:
undetectable
4p65A-5fjeA:
8.33
4p65B-5fjeA:
14.63
4p65F-5fjeA:
14.63
4p65H-5fjeA:
14.63
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.
5h7c IMMUNOGLOBULIN
G-BINDING PROTEIN A,
DHR14


(Staphylococcus
aureus;
synthetic
construct)
PF02216
(B)
5 LEU A 376
LEU A 356
ALA A 357
LEU A 368
LEU A 399
None
1.27A 4p65A-5h7cA:
undetectable
4p65B-5h7cA:
undetectable
4p65F-5h7cA:
undetectable
4p65H-5h7cA:
undetectable
4p65A-5h7cA:
2.97
4p65B-5h7cA:
5.88
4p65F-5h7cA:
5.88
4p65H-5h7cA:
5.88
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.
5k13 RETINOIC ACID
RECEPTOR ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
5 LEU A 355
HIS A 195
LEU A 328
ALA A 331
LEU A 246
None
1.22A 4p65A-5k13A:
undetectable
4p65B-5k13A:
undetectable
4p65F-5k13A:
undetectable
4p65H-5k13A:
undetectable
4p65A-5k13A:
7.23
4p65B-5k13A:
15.32
4p65F-5k13A:
15.32
4p65H-5k13A:
15.32
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.
5loi RAD26

(Thermothelomyces
thermophila)
PF12331
(DUF3636)
5 CYH A 483
LEU A 479
LEU A 526
ALA A 529
LEU A 464
None
1.20A 4p65A-5loiA:
undetectable
4p65B-5loiA:
undetectable
4p65F-5loiA:
undetectable
4p65H-5loiA:
undetectable
4p65A-5loiA:
6.88
4p65B-5loiA:
5.66
4p65F-5loiA:
5.66
4p65H-5loiA:
5.66
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.
5loz EPSIN-1

(Saccharomyces
cerevisiae)
PF01417
(ENTH)
5 LEU A  77
LEU A 129
ALA A 126
LEU A  99
LEU A 105
None
1.28A 4p65A-5lozA:
undetectable
4p65B-5lozA:
undetectable
4p65F-5lozA:
undetectable
4p65H-5lozA:
undetectable
4p65A-5lozA:
8.73
4p65B-5lozA:
15.38
4p65F-5lozA:
15.38
4p65H-5lozA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL


(Homo sapiens)
PF07147
(PDCD9)
5 LEU 5 198
HIS 5 420
LEU 5 419
ALA 5 422
HIS 5 289
None
1.10A 4p65A-5ool5:
undetectable
4p65B-5ool5:
undetectable
4p65F-5ool5:
undetectable
4p65H-5ool5:
undetectable
4p65A-5ool5:
4.70
4p65B-5ool5:
6.42
4p65F-5ool5:
6.42
4p65H-5ool5:
6.42
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.
5t8y EPOXYQUEUOSINE
REDUCTASE


(Bacillus
subtilis)
PF08331
(DUF1730)
PF13484
(Fer4_16)
PF13646
(HEAT_2)
5 CYH A 156
LEU A 209
CYH A 194
LEU A 203
ALA A 202
B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 501 (-2.2A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
1.07A 4p65A-5t8yA:
undetectable
4p65B-5t8yA:
undetectable
4p65F-5t8yA:
undetectable
4p65H-5t8yA:
undetectable
4p65A-5t8yA:
3.62
4p65B-5t8yA:
5.66
4p65F-5t8yA:
5.66
4p65H-5t8yA:
5.66
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN


(Homo sapiens)
PF00400
(WD40)
5 LEU A 382
LEU A 380
ALA A 368
LEU A  50
LEU A 362
None
1.27A 4p65A-5tf2A:
undetectable
4p65B-5tf2A:
undetectable
4p65F-5tf2A:
undetectable
4p65H-5tf2A:
undetectable
4p65A-5tf2A:
6.40
4p65B-5tf2A:
5.59
4p65F-5tf2A:
5.59
4p65H-5tf2A:
5.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4z REPRESSOR OF RNA
POLYMERASE III
TRANSCRIPTION


(Citrus sinensis)
PF09174
(Maf1)
5 LEU A 145
LEU A 141
ALA A 144
LEU A  16
LEU A   9
None
1.06A 4p65A-5u4zA:
undetectable
4p65B-5u4zA:
undetectable
4p65F-5u4zA:
undetectable
4p65H-5u4zA:
undetectable
4p65A-5u4zA:
5.70
4p65B-5u4zA:
7.94
4p65F-5u4zA:
7.94
4p65H-5u4zA:
7.94
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.
5uan RETINOIC ACID
RECEPTOR BETA


(Homo sapiens)
no annotation 5 LEU B 348
HIS B 188
LEU B 321
ALA B 324
LEU B 239
None
1.23A 4p65A-5uanB:
undetectable
4p65B-5uanB:
undetectable
4p65F-5uanB:
undetectable
4p65H-5uanB:
undetectable
4p65A-5uanB:
4.66
4p65B-5uanB:
6.25
4p65F-5uanB:
6.25
4p65H-5uanB:
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.
5ux2 ALDEHYDE
DECARBONYLASE


(Synechococcus
sp. RS9917)
no annotation 5 CYH A 110
LEU A 106
HIS A 141
LEU A 142
ALA A 145
None
None
FE  A 301 (-3.5A)
None
None
1.09A 4p65A-5ux2A:
undetectable
4p65B-5ux2A:
undetectable
4p65F-5ux2A:
undetectable
4p65H-5ux2A:
undetectable
4p65A-5ux2A:
undetectable
4p65B-5ux2A:
undetectable
4p65F-5ux2A:
undetectable
4p65H-5ux2A:
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-4


(Homo sapiens)
no annotation 5 LEU I  35
LEU I  44
ALA I  46
LEU I 236
LEU I 197
None
1.11A 4p65A-5vfrI:
undetectable
4p65B-5vfrI:
undetectable
4p65F-5vfrI:
undetectable
4p65H-5vfrI:
undetectable
4p65A-5vfrI:
undetectable
4p65B-5vfrI:
undetectable
4p65F-5vfrI:
undetectable
4p65H-5vfrI:
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.
5wco NS2

(Salmon isavirus)
no annotation 5 LEU A 146
HIS A 178
LEU A 180
ALA A 176
LEU A 192
None
1.19A 4p65A-5wcoA:
undetectable
4p65B-5wcoA:
undetectable
4p65F-5wcoA:
undetectable
4p65H-5wcoA:
undetectable
4p65A-5wcoA:
5.88
4p65B-5wcoA:
10.19
4p65F-5wcoA:
10.19
4p65H-5wcoA:
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.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN


(Pyrococcus
horikoshii)
no annotation 5 LEU A 466
LEU A 433
HIS A 426
LEU A 421
LEU A 503
None
1.25A 4p65A-5x09A:
undetectable
4p65B-5x09A:
undetectable
4p65F-5x09A:
undetectable
4p65H-5x09A:
undetectable
4p65A-5x09A:
3.61
4p65B-5x09A:
4.32
4p65F-5x09A:
4.32
4p65H-5x09A:
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.
5xeq NEUROLIGIN-2

(Homo sapiens)
PF00135
(COesterase)
5 LEU A 245
LEU A 242
ALA A 241
LEU A 183
LEU A 144
None
1.24A 4p65A-5xeqA:
undetectable
4p65B-5xeqA:
undetectable
4p65F-5xeqA:
undetectable
4p65H-5xeqA:
undetectable
4p65A-5xeqA:
3.38
4p65B-5xeqA:
5.02
4p65F-5xeqA:
5.02
4p65H-5xeqA:
5.02
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.
5yjh PERIOSTIN

(Homo sapiens)
no annotation 5 LEU A 247
HIS A 359
LEU A 360
ALA A 273
LEU A 271
MG  A 723 ( 4.7A)
None
None
None
None
0.94A 4p65A-5yjhA:
undetectable
4p65B-5yjhA:
undetectable
4p65F-5yjhA:
undetectable
4p65H-5yjhA:
undetectable
4p65A-5yjhA:
undetectable
4p65B-5yjhA:
undetectable
4p65F-5yjhA:
undetectable
4p65H-5yjhA:
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5


(Aquareovirus C)
no annotation 5 LEU B 280
ALA B 276
HIS B 513
LEU B 514
LEU B 273
None
1.24A 4p65A-5zvtB:
undetectable
4p65B-5zvtB:
undetectable
4p65F-5zvtB:
undetectable
4p65H-5zvtB:
undetectable
4p65A-5zvtB:
undetectable
4p65B-5zvtB:
undetectable
4p65F-5zvtB:
undetectable
4p65H-5zvtB:
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.
6c9k DARP14 - SUBUNIT A
WITH DARPIN


(synthetic
construct)
no annotation 5 LEU A  37
LEU A 146
ALA A 122
LEU A  87
LEU A 153
None
1.26A 4p65A-6c9kA:
undetectable
4p65B-6c9kA:
undetectable
4p65F-6c9kA:
undetectable
4p65H-6c9kA:
undetectable
4p65A-6c9kA:
undetectable
4p65B-6c9kA:
undetectable
4p65F-6c9kA:
undetectable
4p65H-6c9kA:
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.
6d6y APRA
METHYLTRANSFERASE 2


(Moorea
bouillonii)
no annotation 5 LEU A 555
HIS A 546
ALA A 558
LEU A 539
LEU A 576
None
1.22A 4p65A-6d6yA:
undetectable
4p65B-6d6yA:
undetectable
4p65F-6d6yA:
undetectable
4p65H-6d6yA:
undetectable
4p65A-6d6yA:
undetectable
4p65B-6d6yA:
undetectable
4p65F-6d6yA:
undetectable
4p65H-6d6yA:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY


(Brevundimonas
sp. BAL3)
no annotation 5 CYH A 335
LEU A 233
ALA A 232
LEU A 205
LEU A 195
None
1.20A 4p65A-6frlA:
undetectable
4p65B-6frlA:
undetectable
4p65F-6frlA:
undetectable
4p65H-6frlA:
undetectable
4p65A-6frlA:
undetectable
4p65B-6frlA:
undetectable
4p65F-6frlA:
undetectable
4p65H-6frlA:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY


(Brevundimonas
sp. BAL3)
no annotation 5 CYH A 335
LEU A 233
ALA A 232
LEU A 205
LEU A 195
None
1.27A 4p65A-6frlA:
undetectable
4p65B-6frlA:
undetectable
4p65F-6frlA:
undetectable
4p65H-6frlA:
undetectable
4p65A-6frlA:
undetectable
4p65B-6frlA:
undetectable
4p65F-6frlA:
undetectable
4p65H-6frlA:
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.
6fx0 RETINOIC ACID
RECEPTOR GAMMA


(Homo sapiens)
no annotation 5 LEU A 357
HIS A 197
LEU A 330
ALA A 333
LEU A 248
None
1.26A 4p65A-6fx0A:
undetectable
4p65B-6fx0A:
undetectable
4p65F-6fx0A:
undetectable
4p65H-6fx0A:
undetectable
4p65A-6fx0A:
undetectable
4p65B-6fx0A:
undetectable
4p65F-6fx0A:
undetectable
4p65H-6fx0A:
undetectable