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([...
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
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
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 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
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 0.90099 1
3 PRO ALA TRP LEU PHE GLU ALA 0.766667 0.884615
4 ALA PRO ALA TRP LEU PHE GLU ALA 0.740157 0.779661
5 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.627737 0.793103
6 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.586777 0.633333
7 GLU LEU GLU LYS TRP ALA SER 0.585366 0.818182
8 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.553957 0.867925
9 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.545455 0.882353
10 ALA LEU ASP LYS TRP ALA SER 0.544 0.803571
11 GLU LEU ASP HOX TRP ALA SER 0.541353 0.821429
12 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.540741 0.789474
13 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.537415 0.754098
14 ALA LEU ASP LYS TRP ASP 0.533333 0.865385
15 GLU LEU ASP LYS TRP ALA ASN 0.526718 0.818182
16 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.525424 0.86
17 TYR TRP ALA ALA ALA ALA 0.521008 0.82
18 GLU LEU ASP LYS TRP ALA SER 0.519084 0.803571
19 GLY LEU MET TRP LEU SER TYR PHE VAL 0.514085 0.741935
20 GLU LEU ASP ORN TRP ALA SER 0.511278 0.818182
21 ALA LEU ASP LYS TRP GLN ASN 0.508197 0.882353
22 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.504 0.865385
23 ILE ASP TRP PHE GLU GLY LYS GLU 0.503546 0.818182
24 ACE GLU TRP TRP TRP 0.5 0.895833
25 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.496504 0.785714
26 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.49635 0.789474
27 ACE ASN TRP GLU THR PHE 0.496296 0.8
28 FME ASP VAL GLU ALA TRP LEU 0.492958 0.849057
29 ILE ASP TRP PHE ASP GLY LYS GLU 0.492958 0.818182
30 GLU LEU ASP LYS TRP ALA GLY 0.492424 0.849057
31 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.488889 0.701754
32 TRP GLU GLU LEU 0.486957 0.957447
33 PRO GLN PHE SER LEU TRP LYS ARG 0.485915 0.762712
34 ASP GLU ASP LYS TRP ASP ASP PHE 0.484127 0.807692
35 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.482014 0.814815
36 GLU LEU ASP HIS TRP ALA SER 0.482014 0.803571
37 GLU ALA ASP LYS TRP GLN SER 0.481481 0.724138
38 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.48 0.789474
39 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.478992 0.62963
40 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.474453 0.727273
41 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.471338 0.686567
42 GLU GLN ASP LYS TRP ALA SER 0.470588 0.724138
43 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.46789 0.826087
44 GLU ASN ASP LYS TRP ALA SER 0.463235 0.711864
45 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.462585 0.766667
46 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.462585 0.703125
47 ASP SER TRP LYS ASP GLY CYS TYR 0.460432 0.745763
48 ARG LEU TRP SER 0.460317 0.733333
49 GLU LEU ASP NRG TRP ALA SER 0.459459 0.625
50 ILE ASP TRP PHE ASP GLY LYS ASP 0.457746 0.818182
51 THR ASN GLU PHE ALA PHE 0.457627 0.734694
52 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.454545 0.690909
53 TYR GLU TRP 0.454545 0.84
54 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.452555 0.736842
55 ARG GLN ALA ASN PHE LEU GLY LYS 0.452381 0.654545
56 ALA SER ASN GLU ASN TRP GLU THR MET 0.45 0.709677
57 ASP TRP GLU ILE VAL 0.449612 0.9375
58 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.447552 0.677966
59 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.447205 0.69697
60 LEU GLU PHE GLN GLY 0.446281 0.711538
61 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.445783 0.636364
62 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.445161 0.779661
63 PHE LEU ALA TYR LYS 0.444444 0.722222
64 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.441667 0.770833
65 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.440945 0.62963
66 PHE LEU GLU LYS 0.440678 0.74
67 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.44 0.75
68 0ZN 0.438017 0.895833
69 ALA GLU ALA ALA GLN ALA 0.436364 0.666667
70 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.433121 0.779661
71 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.432927 0.730159
72 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.432927 0.681818
73 ASP ALA GLU PHE ARG HIS ASP SER 0.432624 0.683333
74 SER LEU LEU MET TRP ILE THR GLN ALA 0.432432 0.725806
75 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.431655 0.6875
76 THR ASN GLU PHE TYR ALA 0.429688 0.678571
77 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.427419 0.642857
78 GLU ASN LEU TYR PHE GLN 0.426357 0.727273
79 LYS TRP LYS 0.426087 0.784314
80 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.426035 0.71875
81 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.425806 0.737705
82 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.425676 0.733333
83 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.422078 0.676923
84 SER LEU LEU MET TRP ILE THR GLN LEU 0.421769 0.725806
85 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.419355 0.737705
86 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.419118 0.677966
87 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.417808 0.615385
88 SER LEU LEU MET TRP ILE THR GLN CYS 0.417219 0.725806
89 SER LEU LEU MET TRP ILE THR GLN SER 0.416107 0.725806
90 ACE VAL PHE PHE ALA GLU ASP NH2 0.416 0.808511
91 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.415663 0.626866
92 SER SER VAL VAL GLY VAL TRP TYR LEU 0.414966 0.775862
93 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.414201 0.641791
94 SER ARG TYR TRP ALA ILE ARG THR ARG 0.414013 0.647059
95 SER TRP PHE PRO 0.413534 0.640625
96 ALA GLU THR PHE TYR VAL ASP GLY 0.413534 0.722222
97 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.413333 0.803571
98 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.412903 0.75
99 ASP PHE GLU ASP TYR GLU PHE ASP 0.412698 0.679245
100 GLU ASN GLN LYS GLU TYR PHE PHE 0.412214 0.62069
101 SER LEU LEU MET TRP ILE THR GLN VAL 0.410596 0.725806
102 GLU PRO GLN ALA PRO TRP MET GLU 0.410256 0.676923
103 ASP TRP ASN 0.410256 0.784314
104 GLU ASP ASN ASP TRP ASN 0.410256 0.784314
105 ASP ALA ASP GLU TYR LEU 0.409449 0.730769
106 MET ASP TRP ASN MET HIS ALA ALA 0.408163 0.745763
107 ACE LEU PHE PHE GLK CF0 GLU 0.408 0.745098
108 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.407895 0.606557
109 GLY LEU TYR ALA SER LYS LEU ALA 0.407692 0.616667
110 ASN ASP TRP LEU LEU PRO SER TYR 0.407407 0.657143
111 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.407186 0.642857
112 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.407143 0.75
113 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.405594 0.737705
114 THR TYR LYS PHE PHE GLU GLN 0.40458 0.627119
115 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.40458 0.627119
116 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.403727 0.693548
117 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.403509 0.676471
118 SER PRO LEU ASP SER LEU TRP TRP ILE 0.402597 0.69697
119 ASP ALA GLU PHE ARG HIS ASP 0.40146 0.683333
120 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.401316 0.672131
121 GLU ILE ILE ASN PHE GLU LYS LEU 0.4 0.660714
122 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.4 0.645161
123 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.4 0.714286
124 SER SER ARG LYS GLU TYR TYR ALA 0.4 0.603175
125 SER ILE ILE ASN PHE GLU LYS LEU 0.4 0.616667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found: 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 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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