Receptor
PDB id Resolution Class Description Source Keywords
3RTA 1.95 Å EC: 4.2.1.93 CRYSTAL STRUCTURE OF TM0922, A FUSION OF A DOMAIN OF UNKNOWN AND ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE FROM THERM ARITIMA SOAKED WITH ACETYL COENZYME A THERMOTOGA MARITIMA UNKNOWN FUNCTION ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATLYASE
Ref.: IDENTIFICATION OF UNKNOWN PROTEIN FUNCTION USING ME COCKTAIL SCREENING. STRUCTURE V. 20 1715 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:492;
A:493;
 Valid;
Valid;
 none;
none;
 submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
ALA ALA TRP LEU PHE GLU ALA B:1;
 Valid;
 none;
 submit data
790.919 n/a O=C(N...
K A:491;
 Part of Protein;
 none;
 submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RS8 2.1 Å EC: 4.2.1.93 CRYSTAL STRUCTURE OF TM0922, A FUSION OF A DOMAIN OF UNKNOWN AND ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE FROM THERM ARITIMA IN COMPLEX WITH ADP-RIBOSE THERMOTOGA MARITIMA UNKNOWN FUNCTION ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATLYASE
Ref.: IDENTIFICATION OF UNKNOWN PROTEIN FUNCTION USING ME COCKTAIL SCREENING. STRUCTURE V. 20 1715 2012
Members (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RT9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3RTG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3RRF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3RS8 Kd = 5.1 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3RTB - ALA TRP LEU PHE GLU ALA n/a n/a
6 3RTE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RTC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3RSG - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 3RSF - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
10 3RT7 - ALA ALA TRP LEU PHE GLU ALA n/a n/a
11 3RRJ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 3RS9 - BA3 C20 H27 N10 O16 P3 c1nc(c2c(n....
13 3RSS Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3RTA - ALA ALA TRP LEU PHE GLU ALA n/a n/a
15 3RRB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 3RSQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3RU2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
18 3RRE - ALA ALA TRP LEU PHE GLU ALA n/a n/a
19 3RTD - ALA ALA TRP LEU PHE GLU ALA n/a n/a
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RT9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3RTG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3RRF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3RS8 Kd = 5.1 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3RTB - ALA TRP LEU PHE GLU ALA n/a n/a
6 3RTE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RTC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3RSG - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 3RSF - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
10 3RT7 - ALA ALA TRP LEU PHE GLU ALA n/a n/a
11 3RRJ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 3RS9 - BA3 C20 H27 N10 O16 P3 c1nc(c2c(n....
13 3RSS Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3RTA - ALA ALA TRP LEU PHE GLU ALA n/a n/a
15 3RRB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 3RSQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3RU2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
18 3RRE - ALA ALA TRP LEU PHE GLU ALA n/a n/a
19 3RTD - ALA ALA TRP LEU PHE GLU ALA n/a n/a
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RT9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3RTG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3RRF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3RS8 Kd = 5.1 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3RTB - ALA TRP LEU PHE GLU ALA n/a n/a
6 3RTE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RTC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3RSG - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 3RSF - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
10 3RT7 - ALA ALA TRP LEU PHE GLU ALA n/a n/a
11 3RRJ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 3RS9 - BA3 C20 H27 N10 O16 P3 c1nc(c2c(n....
13 3RSS Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3RTA - ALA ALA TRP LEU PHE GLU ALA n/a n/a
15 3RRB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 3RSQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3RU2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
18 3RRE - ALA ALA TRP LEU PHE GLU ALA n/a n/a
19 3RTD - ALA ALA TRP LEU PHE GLU ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACO; Similar ligands found: 207
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 MLC 0.870968 0.966292
14 3HC 0.870968 0.977273
15 BCO 0.870968 0.966292
16 1HE 0.870968 0.966667
17 FYN 0.868852 0.965909
18 KFV 0.865079 0.90625
19 COO 0.864 0.966292
20 MCA 0.864 0.977528
21 COK 0.861789 0.944444
22 SCA 0.857143 0.966292
23 YXS 0.857143 0.896907
24 COA 0.857143 0.965909
25 YXR 0.857143 0.896907
26 0T1 0.857143 0.94382
27 DCA 0.855932 0.94382
28 CMC 0.854839 0.944444
29 30N 0.85124 0.885417
30 BYC 0.850394 0.966292
31 IRC 0.850394 0.977273
32 1GZ 0.850394 0.955556
33 COW 0.850394 0.955556
34 HGG 0.850394 0.966292
35 BCA 0.84375 0.955556
36 FAQ 0.84375 0.966292
37 2CP 0.84252 0.955556
38 A1S 0.84127 0.966292
39 ETB 0.840336 0.932584
40 GRA 0.837209 0.966292
41 HXC 0.837209 0.988764
42 AMX 0.836066 0.954545
43 TGC 0.830769 0.955556
44 CMX 0.829268 0.94382
45 SCO 0.829268 0.94382
46 2NE 0.824427 0.945055
47 1CZ 0.824427 0.955556
48 CO8 0.824427 0.988764
49 FAM 0.822581 0.923077
50 FCX 0.822581 0.913043
51 3CP 0.821705 0.944444
52 COF 0.821705 0.923913
53 2KQ 0.821705 0.988764
54 UCC 0.818182 0.988764
55 DCC 0.818182 0.988764
56 5F9 0.818182 0.988764
57 ST9 0.818182 0.988764
58 MFK 0.818182 0.988764
59 MYA 0.818182 0.988764
60 HAX 0.816 0.923077
61 4CA 0.815385 0.934066
62 7L1 0.814516 1
63 CS8 0.80597 0.977778
64 WCA 0.80597 0.945055
65 SCD 0.804688 0.94382
66 KGP 0.80315 0.896907
67 CA6 0.80315 0.896907
68 YZS 0.80315 0.896907
69 MCD 0.80315 0.966292
70 4KX 0.8 0.934783
71 HDC 0.8 0.988764
72 KGJ 0.79845 0.885417
73 CIC 0.796992 0.944444
74 NMX 0.796875 0.875
75 MRS 0.794118 0.988764
76 MRR 0.794118 0.988764
77 0FQ 0.791045 0.944444
78 4CO 0.791045 0.934066
79 CAJ 0.790698 0.944444
80 J5H 0.788321 0.966292
81 YNC 0.788321 0.955556
82 DAK 0.788321 0.934783
83 0ET 0.785185 0.966667
84 01A 0.785185 0.904255
85 8Z2 0.782609 0.977778
86 HFQ 0.781022 0.923913
87 KGA 0.780303 0.876289
88 1CV 0.779412 0.966292
89 YE1 0.778626 0.933333
90 LCV 0.778626 0.887755
91 SO5 0.778626 0.887755
92 UOQ 0.773723 0.966667
93 NHW 0.773723 0.966667
94 NHM 0.773723 0.966667
95 CA8 0.766917 0.877551
96 F8G 0.762238 0.946237
97 1HA 0.760563 0.945055
98 NHQ 0.746479 0.955056
99 S0N 0.744526 0.923077
100 CCQ 0.744526 0.945652
101 01K 0.743056 0.966292
102 COT 0.737931 0.944444
103 CA3 0.727891 0.944444
104 UCA 0.721854 0.988764
105 CO7 0.713235 0.966292
106 CA5 0.703947 0.904255
107 93P 0.699346 0.934066
108 COD 0.692913 0.954545
109 RMW 0.69281 0.945055
110 N9V 0.671329 0.913043
111 93M 0.666667 0.934066
112 5TW 0.656627 0.946237
113 4BN 0.656627 0.946237
114 BUA COA 0.652482 0.933333
115 OXT 0.634731 0.946237
116 COA FLC 0.632353 0.932584
117 6NA COA 0.630137 0.955556
118 HMG 0.62585 0.933333
119 DAO COA 0.61745 0.955556
120 DKA COA 0.61745 0.955556
121 EO3 COA 0.61745 0.955556
122 MYR COA 0.61745 0.955556
123 PLM COA 0.61745 0.955556
124 X90 COA 0.61745 0.955556
125 DCR COA 0.61745 0.955556
126 JBT 0.609195 0.926316
127 BSJ 0.594118 0.913979
128 PAP 0.577586 0.784091
129 ASP ASP ASP ILE NH2 CMC 0.557576 0.902174
130 PPS 0.53719 0.729167
131 RFC 0.53125 0.966667
132 SFC 0.53125 0.966667
133 A3P 0.525862 0.772727
134 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
135 MET VAL ASN ALA CMC 0.50838 0.923077
136 0WD 0.503497 0.763441
137 5AD NJS 0.479532 0.904255
138 ACE MET LEU GLY PRO NH2 COA 0.466321 0.923077
139 PTJ 0.462687 0.842697
140 3AM 0.461538 0.761364
141 3OD 0.451852 0.797753
142 A22 0.450382 0.786517
143 PUA 0.447368 0.793478
144 A2D 0.446281 0.775281
145 PAJ 0.443609 0.853933
146 HQG 0.442748 0.786517
147 ATR 0.440945 0.772727
148 AGS 0.440945 0.8
149 OAD 0.437037 0.797753
150 9BG 0.436242 0.763441
151 ADP 0.435484 0.795455
152 UBG 0.434524 0.817204
153 A2R 0.431818 0.786517
154 8LE 0.430769 0.820225
155 BA3 0.427419 0.775281
156 9X8 0.426471 0.8
157 NA7 0.426471 0.829545
158 ATP 0.425197 0.795455
159 HEJ 0.425197 0.795455
160 AP5 0.424 0.775281
161 B4P 0.424 0.775281
162 ADQ 0.422222 0.777778
163 AR6 0.421875 0.775281
164 APR 0.421875 0.775281
165 2A5 0.421875 0.818182
166 5FA 0.421875 0.795455
167 AQP 0.421875 0.795455
168 48N 0.42069 0.802198
169 AN2 0.420635 0.786517
170 FYA 0.42029 0.786517
171 JNT 0.419118 0.818182
172 8LQ 0.41791 0.808989
173 QA7 0.41791 0.820225
174 M33 0.417323 0.786517
175 SRP 0.413534 0.808989
176 ANP 0.412214 0.777778
177 YLB 0.412162 0.877778
178 FA5 0.411348 0.788889
179 YLP 0.410959 0.877778
180 ME8 0.410072 0.835165
181 AT4 0.409449 0.808989
182 APU 0.409396 0.76087
183 5AL 0.409091 0.786517
184 7D3 0.408 0.766667
185 F2R 0.407895 0.836957
186 NJP 0.407895 0.78022
187 AD9 0.407692 0.777778
188 25L 0.407143 0.786517
189 CA0 0.40625 0.777778
190 7D4 0.40625 0.766667
191 ATF 0.406015 0.769231
192 A2P 0.404762 0.761364
193 8QN 0.404412 0.786517
194 9ZA 0.404412 0.791209
195 9ZD 0.404412 0.791209
196 LAQ 0.40411 0.815217
197 NDP 0.403974 0.763441
198 KG4 0.403101 0.777778
199 ACP 0.403101 0.797753
200 8LH 0.402985 0.808989
201 ACQ 0.401515 0.797753
202 ATP A A A 0.401408 0.744444
203 ATP A 0.401408 0.744444
204 PAX 0.4 0.768421
205 1ZZ 0.4 0.855556
206 NB8 0.4 0.782609
207 TXA 0.4 0.788889
Ligand no: 2; Ligand: ALA ALA TRP LEU PHE GLU ALA; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA TRP LEU PHE GLU ALA 1 1
2 ALA TRP LEU PHE GLU ALA 0.901961 1
3 PRO ALA TRP LEU PHE GLU ALA 0.775 0.87037
4 ALA PRO ALA TRP LEU PHE GLU ALA 0.761905 0.783333
5 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.615385 0.783333
6 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.580645 0.728814
7 GLU LEU GLU LYS TRP ALA SER 0.561538 0.821429
8 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.554745 0.886792
9 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.553957 0.886792
10 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.547619 0.639344
11 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.544218 0.770492
12 GLU LEU ASP HOX TRP ALA SER 0.540741 0.839286
13 ACE ASN TRP GLU THR PHE 0.534884 0.818182
14 TYR TRP ALA ALA ALA ALA 0.529412 0.823529
15 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.528571 0.793103
16 ALA LEU ASP LYS TRP ALA SER 0.526718 0.807018
17 GLU LEU ASP ORN TRP ALA SER 0.518519 0.821429
18 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.51773 0.803571
19 ALA LEU ASP LYS TRP ASP 0.515873 0.851852
20 GLY LEU MET TRP LEU SER TYR PHE VAL 0.514085 0.746032
21 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.513043 0.914894
22 GLU LEU ASP LYS TRP ALA ASN 0.510949 0.821429
23 PRO GLN PHE SER LEU TRP LYS ARG 0.507143 0.779661
24 TRP GLU GLU LEU 0.504348 0.958333
25 GLU LEU ASP LYS TRP ALA SER 0.50365 0.807018
26 ILE ASP TRP PHE GLU GLY LYS GLU 0.496552 0.821429
27 ASP ALA GLU PHE ARG HIS ASP 0.496063 0.62069
28 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.495935 0.862745
29 ACE GLU TRP TRP TRP 0.495575 0.877551
30 FME ASP VAL GLU ALA TRP LEU 0.48951 0.833333
31 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.488189 0.884615
32 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.487013 0.691176
33 ILE ASP TRP PHE ASP GLY LYS GLU 0.486301 0.821429
34 ALA LEU ASP LYS TRP GLN ASN 0.484375 0.867925
35 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.482269 0.793103
36 GLU LEU ASP HIS TRP ALA SER 0.482269 0.807018
37 GLU LEU ASP LYS TRP ALA GLY 0.481752 0.851852
38 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.475 0.701493
39 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.475 0.648148
40 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.47482 0.745455
41 GLU ALA ASP LYS TRP GLN SER 0.471429 0.741379
42 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.467626 0.684211
43 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.467626 0.706897
44 ASP ALA ASP GLU GLU ASP PHE 0.465517 0.74
45 ARG LEU TRP SER 0.465116 0.75
46 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.463087 0.783333
47 GLU LEU ASP NRG TRP ALA SER 0.46 0.638889
48 GLU GLN ASP LYS TRP ALA SER 0.457746 0.741379
49 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.457746 0.803571
50 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.45679 0.723077
51 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.455882 0.741379
52 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.455128 0.783333
53 ALA SER ASN GLU ASN TRP GLU THR MET 0.453901 0.725806
54 ASP TRP GLU ILE VAL 0.453846 0.938776
55 ILE ASP TRP PHE ASP GLY LYS ASP 0.452055 0.821429
56 ASP GLU ASP LYS TRP ASP ASP PHE 0.451128 0.796296
57 GLU ASN ASP LYS TRP ALA SER 0.450704 0.728814
58 PRO ALA TRP ASP GLU THR ASN LEU 0.450331 0.754098
59 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.450331 0.766667
60 ARG GLN ALA ASN PHE LEU GLY LYS 0.448819 0.672727
61 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.447761 0.732143
62 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.446809 0.703125
63 SER LEU LEU MET TRP ILE THR GLN ALA 0.445946 0.741935
64 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.444444 0.694915
65 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.443038 0.783333
66 VAL GLY LEU TRP LYS SER 0.442748 0.8
67 LEU GLU PHE GLN GLY 0.442623 0.730769
68 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.442424 0.712121
69 SER GLY ILE PHE LEU GLU THR SER 0.44186 0.666667
70 SER TRP PHE PRO 0.439394 0.646154
71 TYR GLU TRP 0.439024 0.843137
72 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.438596 0.632353
73 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.4375 0.648148
74 THR ASN GLU PHE ALA PHE 0.436975 0.74
75 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.435897 0.61194
76 0ZN 0.434426 0.877551
77 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.433735 0.746032
78 PRO GLY LEU TRP LYS SER 0.433566 0.851852
79 SER LEU ARG PHE LEU TYR GLU GLY 0.432624 0.621212
80 SER LEU LEU MET TRP ILE THR GLN LEU 0.432432 0.741935
81 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.432258 0.754098
82 SER LEU LEU MET TRP ILE THR GLN CYS 0.430464 0.741935
83 SER LEU LEU MET TRP ILE THR GLN SER 0.42953 0.741935
84 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.428571 0.766667
85 SER LEU LEU MET TRP ILE THR GLN VAL 0.427632 0.725806
86 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.426752 0.741935
87 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.424242 0.92
88 ASP ALA GLU PHE ARG HIS ASP SER 0.423611 0.7
89 SER ARG TYR TRP ALA ILE ARG THR ARG 0.421384 0.661765
90 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.421053 0.656716
91 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.42029 0.732143
92 ALA GLU ALA ALA GLN ALA 0.419643 0.6875
93 LEU PRO SER PHE GLU THR ALA LEU 0.418919 0.636364
94 SER SER VAL VAL GLY VAL TRP TYR LEU 0.418919 0.779661
95 THR ASN GLU PHE TYR ALA 0.418605 0.696429
96 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.417722 0.707692
97 ASN ASP TRP LEU LEU PRO SER TYR 0.417178 0.671429
98 GLU ASN LEU TYR PHE GLN 0.416667 0.745455
99 ACE VAL PHE PHE ALA GLU ASP NH2 0.416 0.8125
100 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.415584 0.75
101 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.414634 0.686567
102 ARG VAL LEU PHE GLU ALA MET 0.413793 0.603175
103 LYS TRP LYS 0.413223 0.773585
104 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.412587 0.766667
105 PHE LEU ALA TYR LYS 0.412214 0.714286
106 ASP TRP ASN 0.411765 0.803922
107 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.410596 0.807018
108 ALA GLU THR PHE TYR VAL ASP GLY 0.410448 0.727273
109 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.408805 0.69697
110 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.407895 0.612903
111 TRP GLU TYR ILE PRO ASN VAL 0.407407 0.701493
112 PHE LEU GLU LYS 0.406504 0.730769
113 SER PRO LEU ASP SER LEU TRP TRP ILE 0.406452 0.701493
114 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.404908 0.709677
115 MET ASP TRP ASN MET HIS ALA ALA 0.403974 0.762712
116 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.403614 0.686567
117 ASP ALA ASP GLU TYR LEU 0.403101 0.735849
118 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.402878 0.694915
119 SER SER VAL ILE GLY VAL TRP TYR LEU 0.402597 0.766667
120 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.402299 0.60274
121 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.4 0.641791
122 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.4 0.71875
123 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.4 0.691176
124 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.4 0.66129
125 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.4 0.754098
Similar Ligands (3D)
Ligand no: 1; Ligand: ACO; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: ALA ALA TRP LEU PHE GLU ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3RS8; Ligand: ALA TRP LEU PHE GLU ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3rs8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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