SIMILAR PATTERNS OF AMINO ACIDS FOR 5MAF_A_XINA403_2

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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 LEU A  37
CYH A  17
LEU A 169
ASP A  54
 None
 1.31A 5mafA-1auaA:
undetectable		 5mafA-1auaA:
16.59
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 179
CYH A 154
LEU A 124
ASP A 126
 None
 1.35A 5mafA-1dj3A:
undetectable		 5mafA-1dj3A:
11.28
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.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  55
CYH A  83
LEU A 133
ASP A 144
 None
 0.82A 5mafA-1h4lA:
26.7		 5mafA-1h4lA:
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.
1j7q CALCIUM VECTOR
PROTEIN

(Branchiostoma
lanceolatum) 		no annotation 4 CYH A  78
CYH A  16
LEU A  75
ASP A  85
 None
 1.32A 5mafA-1j7qA:
undetectable		 5mafA-1j7qA:
26.09
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.
1t6n PROBABLE
ATP-DEPENDENT RNA
HELICASE

(Homo sapiens) 		PF00270
(DEAD) 		4 LEU A 231
CYH A  87
CYH A  75
ASP A 196
 None
 1.22A 5mafA-1t6nA:
undetectable		 5mafA-1t6nA:
21.89
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		4 LEU A  80
CYH A 108
LEU A 158
ASP A 169
 None
 0.86A 5mafA-1u5qA:
27.2		 5mafA-1u5qA:
14.08
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A 341
CYH A 255
LEU A  11
ASP A 292
 None
 0.88A 5mafA-1xfcA:
undetectable		 5mafA-1xfcA:
12.23
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 LEU A 724
CYH A 689
CYH A 755
LEU A 762
 None
SF4  A2233 (-2.3A)
SF4  A2233 (-2.3A)
SF4  A2233 (-4.3A)
 1.02A 5mafA-2c3oA:
undetectable		 5mafA-2c3oA:
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.
2ecl RING-BOX PROTEIN 2

(Homo sapiens) 		PF12678
(zf-rbx1) 		4 CYH A  48
CYH A  70
LEU A  69
ASP A  16
 ZN  A 601 (-2.3A)
ZN  A 601 (-2.2A)
ZN  A 601 ( 4.6A)
None
 1.50A 5mafA-2eclA:
undetectable		 5mafA-2eclA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h0d UBIQUITIN LIGASE
PROTEIN RING2

(Homo sapiens) 		PF13923
(zf-C3HC4_2) 		4 LEU B 100
CYH B  51
LEU B  58
ASP B 103
 None
ZN  B 203 (-2.3A)
None
None
 1.22A 5mafA-2h0dB:
undetectable		 5mafA-2h0dB:
25.00
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.
2kgq BRAZZEIN

(Pentadiplandra
brazzeana) 		no annotation 4 CYH A  47
CYH A  16
LEU A  45
ASP A  40
 None
 1.35A 5mafA-2kgqA:
undetectable		 5mafA-2kgqA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ol3 ALLOGENEIC H-2KBM8
MHC CLASS I MOLECULE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 CYH H 101
CYH H 164
LEU H   5
ASP H  29
 None
 1.30A 5mafA-2ol3H:
undetectable		 5mafA-2ol3H:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP

(Homo sapiens) 		PF01853
(MOZ_SAS) 		4 LEU A 185
CYH A 211
CYH A 231
LEU A 233
 None
ZN  A 490 (-2.3A)
ZN  A 490 (-2.4A)
None
 1.37A 5mafA-2ou2A:
undetectable		 5mafA-2ou2A:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0y HYPOTHETICAL PROTEIN
LP_0780

(Lactobacillus
plantarum) 		PF01933
(UPF0052) 		4 LEU A 199
CYH A 296
LEU A 291
ASP A 243
 None
 1.36A 5mafA-2p0yA:
undetectable		 5mafA-2p0yA:
11.14
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 LEU A  33
CYH A  13
LEU A 171
ASP A  50
 None
 1.17A 5mafA-3b74A:
undetectable		 5mafA-3b74A:
13.17
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.
3bws PROTEIN LP49

(Leptospira
interrogans) 		PF10282
(Lactonase) 		4 LEU A 282
CYH A 251
LEU A 232
ASP A 258
 None
 1.45A 5mafA-3bwsA:
3.0		 5mafA-3bwsA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		4 LEU A 175
CYH A 117
LEU A 119
ASP A 182
 None
 1.38A 5mafA-3clwA:
2.3		 5mafA-3clwA:
10.62
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.
3ghy KETOPANTOATE
REDUCTASE PROTEIN

(Ralstonia
solanacearum) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 LEU A  36
CYH A   5
LEU A  91
ASP A  62
 None
 1.31A 5mafA-3ghyA:
undetectable		 5mafA-3ghyA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU B 114
CYH B 177
LEU B 178
ASP B 168
 None
 1.43A 5mafA-3gtuB:
undetectable		 5mafA-3gtuB:
17.31
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.
3hcj PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Xanthomonas
campestris) 		PF01641
(SelR) 		4 CYH A  56
CYH A 102
LEU A  58
ASP A   5
 ZN  A1000 (-2.3A)
ZN  A1000 (-2.2A)
None
None
 1.49A 5mafA-3hcjA:
undetectable		 5mafA-3hcjA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 LEU A 541
CYH A 545
LEU A 645
ASP A 552
 None
 1.10A 5mafA-3j04A:
undetectable		 5mafA-3j04A:
7.26
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.
3kav UNCHARACTERIZED
PROTEIN PA2107

(Pseudomonas
aeruginosa) 		PF03860
(DUF326) 		4 LEU A  52
CYH A  48
CYH A 119
ASP A  68
 None
 1.34A 5mafA-3kavA:
undetectable		 5mafA-3kavA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kav UNCHARACTERIZED
PROTEIN PA2107

(Pseudomonas
aeruginosa) 		PF03860
(DUF326) 		4 LEU A  52
CYH A  48
CYH A 119
ASP A  71
 None
 1.47A 5mafA-3kavA:
undetectable		 5mafA-3kavA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldz SIGNAL TRANSDUCING
ADAPTER MOLECULE 1

(Homo sapiens) 		PF00790
(VHS) 		4 CYH A  46
CYH A  72
LEU A  68
ASP A  12
 None
 1.36A 5mafA-3ldzA:
undetectable		 5mafA-3ldzA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 LEU A 719
CYH A 748
LEU A 804
ASP A 828
 None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.90A 5mafA-3lj0A:
25.7		 5mafA-3lj0A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		4 LEU A  28
CYH A  74
LEU A  83
ASP A 146
 None
 1.31A 5mafA-3lkeA:
undetectable		 5mafA-3lkeA:
17.08
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.
3lmf UNCHARACTERIZED
PROTEIN

(Nitrosospira
multiformis) 		no annotation 4 LEU A  48
CYH A  52
CYH A  21
ASP A  82
 None
 1.21A 5mafA-3lmfA:
undetectable		 5mafA-3lmfA:
19.35
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.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 753
CYH A 751
LEU A 820
ASP A 831
 ITI  A   1 (-3.8A)
ITI  A   1 (-3.7A)
ITI  A   1 (-4.6A)
ITI  A   1 ( 4.6A)
 1.46A 5mafA-3lzbA:
22.9		 5mafA-3lzbA:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  70
CYH A 106
LEU A 156
ASP A 167
 None
 0.80A 5mafA-3mi9A:
25.4		 5mafA-3mi9A:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o63 PROBABLE
THIAMINE-PHOSPHATE
PYROPHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF02581
(TMP-TENI) 		4 LEU A 111
CYH A  64
LEU A  61
ASP A  85
 None
 1.50A 5mafA-3o63A:
undetectable		 5mafA-3o63A:
16.16
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.
3ufg GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT

(Campylobacter
jejuni) 		PF02091
(tRNA-synt_2e) 		4 LEU A  40
CYH A 275
CYH A 224
LEU A 271
 None
 1.33A 5mafA-3ufgA:
undetectable		 5mafA-3ufgA:
13.29
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.
3uko ALCOHOL
DEHYDROGENASE
CLASS-3

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 375
CYH A 373
CYH A 370
ASP A  50
 None
 1.47A 5mafA-3ukoA:
undetectable		 5mafA-3ukoA:
11.47
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.
3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 889
CYH A 919
LEU A1035
ASP A1046
 LEV  A1201 ( 4.4A)
LEV  A1201 (-4.1A)
LEV  A1201 (-4.8A)
GOL  A1210 ( 3.4A)
 0.43A 5mafA-3wzdA:
23.1		 5mafA-3wzdA:
14.52
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.
4bc6 SERINE/THREONINE-PRO
TEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  85
CYH A 113
LEU A 164
ASP A 175
 None
XZN  A1317 (-3.7A)
XZN  A1317 (-4.7A)
XZN  A1317 (-3.2A)
 0.42A 5mafA-4bc6A:
14.2		 5mafA-4bc6A:
15.15
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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		4 LEU A 327
CYH A 272
LEU A 276
ASP A 334
 None
 1.47A 5mafA-4e6yA:
undetectable		 5mafA-4e6yA:
12.77
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.
4giz PROTEIN E6

(Alphapapillomavirus
9) 		PF00518
(E6) 		4 LEU C  67
CYH C 106
CYH C 136
ASP C  44
 None
ZN  C 201 (-2.3A)
ZN  C 201 (-2.2A)
None
 1.44A 5mafA-4gizC:
undetectable		 5mafA-4gizC:
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		4 LEU A1608
CYH A1610
CYH A1653
ASP A1529
 None
ZN  A1719 (-2.3A)
ZN  A1719 (-2.3A)
MES  A1718 (-3.9A)
 1.45A 5mafA-4guaA:
undetectable		 5mafA-4guaA:
9.25
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.
4hyv PYRUVATE KINASE 1

(Trypanosoma
brucei) 		PF00224
(PK)
PF02887
(PK_C) 		4 LEU A 460
CYH A 429
LEU A 426
ASP A 444
 None
 1.34A 5mafA-4hyvA:
undetectable		 5mafA-4hyvA:
12.59
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		4 LEU A 220
CYH A 146
LEU A 161
ASP A 188
 None
KCX  A 145 ( 4.0A)
None
None
 1.21A 5mafA-4if2A:
undetectable		 5mafA-4if2A:
12.89
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.
4jgv NUCLEAR RECEPTOR
SUBFAMILY 4 GROUP A
MEMBER 1

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 CYH A 505
CYH A 534
LEU A 365
ASP A 499
 None
None
None
GOL  A 606 (-3.8A)
 1.20A 5mafA-4jgvA:
undetectable		 5mafA-4jgvA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		4 LEU A 747
CYH A 675
LEU A 671
ASP A 709
 None
 1.41A 5mafA-4k6jA:
undetectable		 5mafA-4k6jA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 LEU A 406
CYH A 435
LEU A 489
ASP A 500
 None
 0.87A 5mafA-4o1oA:
18.1		 5mafA-4o1oA:
8.28
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.
4oav PROTEIN (RNASE L)

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 LEU B 408
CYH B 437
LEU B 492
ASP B 503
 None
ACP  B 801 (-4.5A)
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
 0.86A 5mafA-4oavB:
19.4		 5mafA-4oavB:
9.07
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.
4ogz PUTATIVE
ALPHA-GALACTOSIDASE/
MELIBIASE

(Bacteroides
fragilis) 		PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 LEU A 485
CYH A 490
LEU A 373
ASP A 425
 None
 1.49A 5mafA-4ogzA:
2.2		 5mafA-4ogzA:
11.45
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A1012
CYH A1015
LEU A1007
ASP A 569
 None
 1.46A 5mafA-4ptfA:
undetectable		 5mafA-4ptfA:
5.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		4 LEU A 205
CYH A 176
LEU A 315
ASP A 312
 None
 1.44A 5mafA-4pviA:
3.0		 5mafA-4pviA:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tum ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 2

(Arabidopsis
thaliana) 		PF13637
(Ank_4) 		4 LEU A 234
CYH A 299
LEU A 302
ASP A 272
 None
 1.35A 5mafA-4tumA:
undetectable		 5mafA-4tumA:
29.25
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.
4wxl PEPTIDE DEFORMYLASE

(Haemophilus
influenzae) 		PF01327
(Pep_deformylase) 		4 LEU A 142
CYH A  18
LEU A  55
ASP A  11
 None
 1.45A 5mafA-4wxlA:
undetectable		 5mafA-4wxlA:
19.16
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 LEU A 616
CYH A 645
LEU A 695
ASP A 711
 None
 0.88A 5mafA-4z7gA:
21.9		 5mafA-4z7gA:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zsx UNCHARACTERIZED
FUSION PROTEIN

(Aquifex
aeolicus;
Pseudomonas
aeruginosa) 		PF06557
(DUF1122) 		4 LEU A 218
CYH A 214
CYH A 285
ASP A 234
 None
 1.50A 5mafA-4zsxA:
3.0		 5mafA-4zsxA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzh NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 LEU A 250
CYH A 490
CYH A 501
LEU A 500
 None
 1.33A 5mafA-4zzhA:
undetectable		 5mafA-4zzhA:
15.14
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.
5bqk ICP27

(Human
alphaherpesvirus
1) 		PF05459
(Herpes_UL69) 		4 LEU A 472
CYH A 414
LEU A 413
ASP A 424
 None
 1.20A 5mafA-5bqkA:
undetectable		 5mafA-5bqkA:
16.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  67
CYH A  95
LEU A 145
ASP A 165
 None
51W  A 401 (-3.9A)
51W  A 401 (-4.5A)
GOL  A 404 (-3.2A)
 0.56A 5mafA-5ci7A:
29.3		 5mafA-5ci7A:
36.56
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.
5doi TELOMERASE
ASSOCIATED PROTEIN
P45
TELOMERASE-ASSOCIATE
D PROTEIN 19

(Tetrahymena
thermophila) 		no annotation 4 LEU A  10
CYH E  96
LEU E  13
ASP E  54
 None
 1.22A 5mafA-5doiA:
undetectable		 5mafA-5doiA:
18.35
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.
5eid ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 2

(Arabidopsis
thaliana) 		PF13637
(Ank_4) 		4 LEU A 234
CYH A 299
LEU A 302
ASP A 272
 None
 1.42A 5mafA-5eidA:
undetectable		 5mafA-5eidA:
29.25
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.
5mr8 E3 UBIQUITIN-PROTEIN
LIGASE TRIM33

(Homo sapiens) 		no annotation 4 LEU A1060
CYH A 966
LEU A 958
ASP A1022
 None
 1.36A 5mafA-5mr8A:
undetectable		 5mafA-5mr8A:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE

(Homo sapiens) 		no annotation 4 LEU A  61
CYH A  70
CYH A  89
ASP A 150
 None
7LV  A 401 ( 3.7A)
7LV  A 401 (-4.3A)
7LV  A 401 (-4.2A)
 0.72A 5mafA-5tvtA:
45.6		 5mafA-5tvtA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE

(Homo sapiens) 		no annotation 4 LEU A  61
CYH A  70
CYH A  89
LEU A 139
 None
7LV  A 401 ( 3.7A)
7LV  A 401 (-4.3A)
7LV  A 401 (-4.9A)
 0.19A 5mafA-5tvtA:
45.6		 5mafA-5tvtA:
98.75
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.
5xyn SUPPRESSOR OF HU
SENSITIVITY INVOLVED
IN RECOMBINATION
PROTEIN 1
SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
2

(Saccharomyces
cerevisiae) 		no annotation 4 LEU C 114
CYH D 176
LEU D 179
ASP D 108
 None
ZN  D 301 (-2.3A)
None
None
 1.37A 5mafA-5xynC:
undetectable		 5mafA-5xynC:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0e -

(-) 		no annotation 4 LEU A 301
CYH A 193
LEU A 257
ASP A 265
 None
None
SO4  A 501 (-4.1A)
SO4  A 501 (-3.9A)
 1.33A 5mafA-5y0eA:
undetectable		 5mafA-5y0eA:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 LEU A 194
CYH A 440
LEU A 441
ASP A 224
 None
 1.39A 5mafA-6c62A:
undetectable		 5mafA-6c62A:
25.84
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.
6dnh CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 4

(Homo sapiens) 		no annotation 4 LEU C  28
CYH C  55
CYH C  49
ASP C  80
 None
ZN  C 301 (-2.8A)
ZN  C 301 (-2.4A)
None
 1.26A 5mafA-6dnhC:
undetectable		 5mafA-6dnhC:
17.05
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A1593
CYH A1616
LEU A1615
ASP A1587
 None
 1.28A 5mafA-6emkA:
undetectable		 5mafA-6emkA:
25.56
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.
6fdy -

(-) 		no annotation 4 LEU U  66
CYH U  94
LEU U 144
ASP U 157
 None
DB8  U 301 (-4.2A)
DB8  U 301 (-4.8A)
DB8  U 301 (-3.6A)
 0.80A 5mafA-6fdyU:
28.6		 5mafA-6fdyU:
undetectable