SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q1Y_A_017A106_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.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ASP A 200
ILE A 201
ILE A 198
GLY A 171
ILE A 202
 ASP  A 200 ( 0.6A)
ILE  A 201 ( 0.6A)
ILE  A 198 ( 0.4A)
GLY  A 171 ( 0.0A)
ILE  A 202 ( 0.7A)
 1.01A 4q1yB-1fxjA:
undetectable		 4q1yB-1fxjA:
16.06
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  28
ILE A  72
ILE A 239
VAL A   5
ILE A   3
 None
 0.89A 4q1yB-1guzA:
undetectable		 4q1yB-1guzA:
16.61
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  28
ILE A  72
ILE A 239
VAL A   5
ILE A   3
 None
 0.93A 4q1yB-1gv0A:
undetectable		 4q1yB-1gv0A:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.92A 4q1yB-1hvcA:
14.3		 4q1yB-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.60A 4q1yB-1hvcA:
14.3		 4q1yB-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 4q1yB-1hvcA:
14.3		 4q1yB-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.51A 4q1yB-1hvcA:
14.3		 4q1yB-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.44A 4q1yB-1hvcA:
14.3		 4q1yB-1hvcA:
47.29
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 LEU A 920
ILE A 956
ILE A1018
VAL A 814
ILE A 812
 None
 0.93A 4q1yB-1jx2A:
undetectable		 4q1yB-1jx2A:
6.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kaq NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 LEU A 145
ALA A  29
ILE A 104
ILE A  34
ILE A 129
 None
 1.03A 4q1yB-1kaqA:
undetectable		 4q1yB-1kaqA:
19.79
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.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN

(Escherichia
coli) 		PF00230
(MIP) 		5 LEU A 164
ILE A 183
ILE A  56
GLY A  64
ILE A 163
 None
 1.04A 4q1yB-1ldiA:
undetectable		 4q1yB-1ldiA:
15.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.60A 4q1yB-1sivA:
18.5		 4q1yB-1sivA:
51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  32
GLY A  49
PRO A  81
ILE A  84
 None
 0.51A 4q1yB-1sivA:
18.5		 4q1yB-1sivA:
51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.80A 4q1yB-1sivA:
18.5		 4q1yB-1sivA:
51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.45A 4q1yB-1sivA:
18.5		 4q1yB-1sivA:
51.52
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.
1t3d SERINE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 LEU A 156
ILE A 202
ILE A 208
GLY A 183
ILE A 176
 None
 0.93A 4q1yB-1t3dA:
undetectable		 4q1yB-1t3dA:
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.
1xbt THYMIDINE KINASE,
CYTOSOLIC

(Homo sapiens) 		PF00265
(TK) 		5 LEU A 137
ALA A 123
ILE A 105
ILE A  96
ILE A 136
 None
 0.90A 4q1yB-1xbtA:
undetectable		 4q1yB-1xbtA:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.46A 4q1yB-2fmbA:
15.0		 4q1yB-2fmbA:
31.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		5 LEU A 221
ILE A 180
GLY A 118
VAL A 199
ILE A 201
 None
 0.95A 4q1yB-2fywA:
undetectable		 4q1yB-2fywA:
21.77
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU X 577
ILE X 610
ILE X 620
ILE X 636
ILE X 650
 None
 1.03A 4q1yB-2iv2X:
undetectable		 4q1yB-2iv2X:
9.38
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ASP A 200
ILE A 201
ILE A 198
GLY A 171
ILE A 202
 None
None
None
UD1  A4000 ( 4.7A)
None
 0.98A 4q1yB-2oi6A:
undetectable		 4q1yB-2oi6A:
13.19
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.
2orv THYMIDINE KINASE

(Homo sapiens) 		PF00265
(TK) 		5 LEU A 137
ALA A 123
ILE A 105
ILE A  96
ILE A 136
 None
 0.92A 4q1yB-2orvA:
undetectable		 4q1yB-2orvA:
18.49
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.
2qe8 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF03022
(MRJP) 		5 LEU A 124
ILE A 147
ILE A 114
VAL A 133
ILE A 135
 None
 0.94A 4q1yB-2qe8A:
undetectable		 4q1yB-2qe8A:
14.77
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 LEU A   7
ILE A 171
ILE A 163
VAL A 141
ILE A 143
 None
 0.88A 4q1yB-2qxlA:
undetectable		 4q1yB-2qxlA:
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		5 LEU A  64
ILE A 122
ILE A 139
VAL A  97
ILE A  99
 None
 0.78A 4q1yB-2qy1A:
undetectable		 4q1yB-2qy1A:
14.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  30
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.75A 4q1yB-2rkfA:
20.3		 4q1yB-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.61A 4q1yB-2rkfA:
20.3		 4q1yB-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.53A 4q1yB-2rkfA:
20.3		 4q1yB-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ILE A  44
ILE A 108
 None
 0.90A 4q1yB-2rspA:
12.8		 4q1yB-2rspA:
33.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.87A 4q1yB-2y23A:
undetectable		 4q1yB-2y23A:
16.49
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.89A 4q1yB-2ynmA:
undetectable		 4q1yB-2ynmA:
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.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 LEU A  21
ILE A 125
GLY A 164
VAL A 101
ILE A  99
 None
 0.98A 4q1yB-3a1wA:
undetectable		 4q1yB-3a1wA:
17.34
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 105
ILE A 171
ILE A 268
GLY A 270
ILE A 144
 None
 1.01A 4q1yB-3bolA:
undetectable		 4q1yB-3bolA:
10.66
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.
3bre PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		5 ILE A 208
ILE A 236
GLY A 239
VAL A 300
ILE A 298
 None
 0.73A 4q1yB-3breA:
undetectable		 4q1yB-3breA:
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.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		5 LEU A  67
ILE A  61
ILE A  79
VAL A  63
ILE A  64
 LEU  A  67 ( 0.6A)
ILE  A  61 ( 0.7A)
ILE  A  79 ( 0.7A)
VAL  A  63 ( 0.6A)
ILE  A  64 ( 0.6A)
 1.05A 4q1yB-3eqzA:
undetectable		 4q1yB-3eqzA:
23.02
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 ALA A  99
ILE A  75
GLY A 102
ILE A 118
ILE A  15
 None
 0.75A 4q1yB-3fkjA:
undetectable		 4q1yB-3fkjA:
13.79
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.
3flo DNA POLYMERASE ALPHA
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ALA A 666
ILE A 632
ILE A 430
VAL A 648
ILE A 650
 None
 0.76A 4q1yB-3floA:
undetectable		 4q1yB-3floA:
11.80
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 LEU A 445
ILE A 498
GLY A 490
ILE A 463
ILE A 474
 None
 0.90A 4q1yB-3gq9A:
undetectable		 4q1yB-3gq9A:
12.41
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.
3gvd SERINE
ACETYLTRANSFERASE

(Yersinia pestis) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 LEU A 156
ILE A 202
ILE A 208
GLY A 183
ILE A 176
 None
None
None
CYS  A 501 ( 3.9A)
None
 0.94A 4q1yB-3gvdA:
undetectable		 4q1yB-3gvdA:
16.85
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 LEU A 230
ALA A  49
ILE A 256
VAL A 237
ILE A 235
 None
 0.97A 4q1yB-3hdyA:
undetectable		 4q1yB-3hdyA:
11.08
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.
3i5b WSPR RESPONSE
REGULATOR

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 ILE A 208
ILE A 236
GLY A 239
VAL A 300
ILE A 298
 None
 0.75A 4q1yB-3i5bA:
undetectable		 4q1yB-3i5bA:
22.83
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.
3i5c FUSION OF GENERAL
CONTROL PROTEIN GCN4
AND WSPR RESPONSE
REGULATOR PROTEIN

(Pseudomonas
aeruginosa;
Saccharomyces
cerevisiae) 		PF00990
(GGDEF) 		5 ILE A 208
ILE A 236
GLY A 239
VAL A 300
ILE A 298
 None
 0.78A 4q1yB-3i5cA:
undetectable		 4q1yB-3i5cA:
19.43
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.
3ib5 SEX PHEROMONE
PRECURSOR

(Lactobacillus
salivarius) 		PF07537
(CamS) 		5 ALA A 206
ILE A 170
ILE A 150
GLY A 173
ILE A 225
 None
 1.04A 4q1yB-3ib5A:
undetectable		 4q1yB-3ib5A:
14.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.85A 4q1yB-3mwsA:
19.9		 4q1yB-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.46A 4q1yB-3mwsA:
19.9		 4q1yB-3mwsA:
76.77
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		5 LEU A  49
ILE A  93
ILE A  71
PRO A  44
VAL A  45
 None
 0.93A 4q1yB-3o4zA:
undetectable		 4q1yB-3o4zA:
9.29
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.
3t0p DNA POLYMERASE III,
BETA SUBUNIT

([Eubacterium]
rectale) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 LEU A   3
ILE A  98
ILE A 107
GLY A 109
ILE A  88
 None
 1.02A 4q1yB-3t0pA:
undetectable		 4q1yB-3t0pA:
16.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.81A 4q1yB-3t3cA:
18.3		 4q1yB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 1.09A 4q1yB-3t3cA:
18.3		 4q1yB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.69A 4q1yB-3t3cA:
18.3		 4q1yB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.90A 4q1yB-3t3cA:
18.3		 4q1yB-3t3cA:
76.77
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.
3tnl SHIKIMATE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF08501
(Shikimate_dh_N) 		5 LEU A 187
ILE A 135
ILE A 145
GLY A 140
ILE A 159
 None
None
None
NAD  A 292 (-3.7A)
None
 0.82A 4q1yB-3tnlA:
undetectable		 4q1yB-3tnlA:
14.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 4q1yB-3ttpA:
19.3		 4q1yB-3ttpA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.53A 4q1yB-3ttpA:
19.3		 4q1yB-3ttpA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-4.0A)
 0.58A 4q1yB-3u7sA:
19.4		 4q1yB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
None
017  A 202 (-4.0A)
 0.59A 4q1yB-3u7sA:
19.4		 4q1yB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.54A 4q1yB-3u7sA:
19.4		 4q1yB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  32
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.51A 4q1yB-3u7sA:
19.4		 4q1yB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ILE A  32
PRO A  81
VAL A  82
 None
 0.55A 4q1yB-3uhlA:
16.0		 4q1yB-3uhlA:
80.81
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.
3uiz CHIMERA PROTEIN OF
SEFD AND SEFA

(Salmonella
enterica) 		PF05775
(AfaD) 		5 ALA A 114
ILE A 112
ILE A  69
GLY A  82
ILE A  81
 None
 0.95A 4q1yB-3uizA:
undetectable		 4q1yB-3uizA:
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.81A 4q1yB-4a9aA:
undetectable		 4q1yB-4a9aA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bej DYNAMIN 1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 LEU A 144
ILE A 180
ILE A 242
VAL A  30
ILE A  28
 None
 0.99A 4q1yB-4bejA:
undetectable		 4q1yB-4bejA:
10.94
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.96A 4q1yB-4bubA:
undetectable		 4q1yB-4bubA:
12.71
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 LEU A 228
ILE A 576
ILE A 558
ILE A 485
ILE A 547
 None
 0.90A 4q1yB-4bx9A:
undetectable		 4q1yB-4bx9A:
11.75
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
ILE A 125
ILE A 135
VAL A 143
ILE A 144
 None
 0.99A 4q1yB-4c2tA:
undetectable		 4q1yB-4c2tA:
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.
4fi9 SUN
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF07738
(Sad1_UNC) 		5 LEU A 592
ALA A 611
ILE A 706
ILE A 694
ILE A 591
 None
 0.94A 4q1yB-4fi9A:
undetectable		 4q1yB-4fi9A:
22.34
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 LEU A 343
ILE A 356
ILE A 310
VAL A 339
ILE A 340
 None
EDO  A 405 (-3.8A)
None
None
None
 0.92A 4q1yB-4fmzA:
undetectable		 4q1yB-4fmzA:
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.
4h7o SERINE
ACETYLTRANSFERASE

(Vibrio cholerae) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 LEU A 156
ILE A 202
ILE A 208
GLY A 183
ILE A 176
 None
None
None
CYS  A 301 ( 4.1A)
None
 0.96A 4q1yB-4h7oA:
undetectable		 4q1yB-4h7oA:
18.12
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.
4lq4 50S RIBOSOMAL
PROTEIN L1

(Methanocaldococcus
jannaschii) 		PF00687
(Ribosomal_L1) 		5 ILE A  63
ILE A 115
GLY A 120
ILE A 122
ILE A  80
 None
 1.01A 4q1yB-4lq4A:
undetectable		 4q1yB-4lq4A:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 4q1yB-4njvA:
20.3		 4q1yB-4njvA:
83.84
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A  49
GLY A  64
PRO A  82
VAL A  81
ILE A  78
 None
 0.98A 4q1yB-4qmeA:
undetectable		 4q1yB-4qmeA:
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.
4uou FUCOSE-SPECIFIC
LECTIN FLEA

(Aspergillus
fumigatus) 		PF07938
(Fungal_lectin) 		5 LEU A 202
ILE A 205
ILE A 231
GLY A 162
ILE A 161
 None
None
None
None
CSX  A 111 ( 4.7A)
 0.65A 4q1yB-4uouA:
undetectable		 4q1yB-4uouA:
16.34
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.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 ARG A 181
LEU A 209
ALA A 217
ILE A 203
GLY A 196
 None
None
None
None
PO4  A 301 (-3.6A)
 0.99A 4q1yB-4x2rA:
undetectable		 4q1yB-4x2rA:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.32A 4q1yB-4ydfA:
13.0		 4q1yB-4ydfA:
30.77
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 LEU B 873
ILE B 843
ILE B 852
VAL B 977
ILE B 979
 None
 0.98A 4q1yB-4zktB:
undetectable		 4q1yB-4zktB:
5.87
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A 330
ASP A 444
ILE A 324
VAL A 364
ILE A 362
 None
 0.91A 4q1yB-5bwiA:
undetectable		 4q1yB-5bwiA:
12.33
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 LEU B 608
ILE B 578
ILE B 660
VAL B 604
ILE B 605
 None
 1.03A 4q1yB-5dlqB:
undetectable		 4q1yB-5dlqB:
7.01
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.
5ed8 MKIAA0668 PROTEIN

(Mus musculus) 		PF07738
(Sad1_UNC) 		5 LEU A 574
ALA A 593
ILE A 688
ILE A 676
ILE A 573
 None
 0.94A 4q1yB-5ed8A:
undetectable		 4q1yB-5ed8A:
17.76
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.
5ejb FUSION GLYCOPROTEIN
F0

(Hendra
henipavirus) 		no annotation 5 LEU B 172
ILE B 276
ILE B 266
GLY B 264
ILE B  59
 None
 0.92A 4q1yB-5ejbB:
undetectable		 4q1yB-5ejbB:
13.03
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.
5eo7 PREDICTED PROTEIN

(Aspergillus
oryzae) 		PF07938
(Fungal_lectin) 		5 LEU A 202
ILE A 205
ILE A 231
GLY A 162
ILE A 161
 None
 0.67A 4q1yB-5eo7A:
undetectable		 4q1yB-5eo7A:
16.28
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.
5evm FUSION GLYCOPROTEIN
F0

(Nipah
henipavirus) 		PF00523
(Fusion_gly) 		5 LEU A 172
ILE A 276
ILE A 266
GLY A 264
ILE A  59
 None
 0.94A 4q1yB-5evmA:
undetectable		 4q1yB-5evmA:
10.78
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 ALA A 383
ILE A 421
ILE A 362
VAL A 403
ILE A 419
 None
 0.92A 4q1yB-5iojA:
undetectable		 4q1yB-5iojA:
12.55
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.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		5 LEU A  93
ILE A 143
ILE A 132
ILE A  98
ILE A 119
 None
 0.86A 4q1yB-5kh0A:
undetectable		 4q1yB-5kh0A:
13.64
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.
5kh5 ISOPRENYL
TRANSFERASE

(Streptococcus
pneumoniae) 		PF01255
(Prenyltransf) 		5 LEU A 141
ALA A  59
ILE A  23
VAL A  69
ILE A  67
 None
 0.75A 4q1yB-5kh5A:
undetectable		 4q1yB-5kh5A:
18.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.50A 4q1yB-5t2zA:
19.4		 4q1yB-5t2zA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 4q1yB-5t2zA:
19.4		 4q1yB-5t2zA:
76.77
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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 5 LEU A 139
ALA A 198
ILE A 241
VAL A 161
ILE A 163
 None
 0.99A 4q1yB-5x7nA:
undetectable		 4q1yB-5x7nA:
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ALA A 993
ASP A 995
GLY A 923
ILE A 925
ILE A 989
 None
 0.96A 4q1yB-6b3eA:
undetectable		 4q1yB-6b3eA:
21.78
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ARG A 247
ILE A 152
GLY A 150
VAL A  63
ILE A  65
 None
 0.88A 4q1yB-6ekiA:
undetectable		 4q1yB-6ekiA:
21.78
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ALA A 675
ILE A 524
GLY A 668
ILE A 690
ILE A 701
 None
 0.94A 4q1yB-6ekvA:
undetectable		 4q1yB-6ekvA:
9.46
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 ALA A 247
ILE A 227
ILE A 217
ILE A 239
VAL A 225
 None
None
None
None
FAD  A 601 (-4.2A)
 0.81A 4q1yB-6f72A:
undetectable		 4q1yB-6f72A:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
ALA A  33
ILE A  37
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
None
 0.60A 4q1yB-6fivA:
15.3		 4q1yB-6fivA:
30.43
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.
6h20 -

(-) 		no annotation 5 ARG A 216
ILE A 194
ILE A 226
VAL A 197
ILE A 186
 None
 1.01A 4q1yB-6h20A:
undetectable		 4q1yB-6h20A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ASP A  30
ILE A  32
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
None
 0.62A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ASP A  30
ILE A  84
 None
None
NIU  A 100 (-2.8A)
None
None
 0.61A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
None
 0.82A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.67A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
None
 0.75A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
None
 0.72A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
None
None
 0.76A 4q1yB-6upjA:
17.6		 4q1yB-6upjA:
50.51