Receptor
PDB id Resolution Class Description Source Keywords
3rss 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 NADP 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
ALA PRO ALA TRP LEU PHE GLU ALA B:0;
 Valid;
 none;
 submit data
888.036 n/a O=C(N...
K A:491;
 Part of Protein;
 none;
 submit data
39.098 K [K+]
NAP A:492;
 Valid;
 none;
 Kd = 6 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
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: ALA PRO ALA TRP LEU PHE GLU ALA; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PRO ALA TRP LEU PHE GLU ALA 1 1
2 ALA ALA TRP LEU PHE GLU ALA 0.761905 0.783333
3 PRO ALA TRP LEU PHE GLU ALA 0.740741 0.868852
4 ALA TRP LEU PHE GLU ALA 0.714286 0.783333
5 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.54717 0.920635
6 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.546584 0.967213
7 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.54023 0.797101
8 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.533742 0.967213
9 LEU PRO SER PHE GLU THR ALA LEU 0.526316 0.779412
10 ASN ASP TRP LEU LEU PRO SER TYR 0.524096 0.830986
11 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.524096 0.764706
12 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.521212 0.888889
13 SER PRO LEU ASP SER LEU TRP TRP ILE 0.518987 0.867647
14 TRP GLU TYR ILE PRO ASN VAL 0.515152 0.867647
15 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.511628 0.880597
16 MET TYR TRP TYR PRO TYR 0.509677 0.823529
17 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.509434 0.861538
18 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.509317 0.892308
19 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.505682 0.823529
20 SER TRP PHE PRO 0.503546 0.818182
21 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.50303 0.852941
22 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.50289 0.808824
23 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.5 0.855072
24 MDL 0.496454 0.724638
25 GLU LEU GLU LYS TRP ALA SER 0.490066 0.796875
26 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.488506 0.84058
27 PRO GLN PHE SER LEU TRP LYS ARG 0.484076 0.787879
28 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.482993 0.691176
29 ARG PHE PRO LEU THR PHE GLY TRP 0.482955 0.819444
30 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.481928 0.907692
31 ARG TYR PRO LEU THR PHE GLY TRP 0.480663 0.797297
32 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.476744 0.852941
33 GLU LEU ASP HOX TRP ALA SER 0.474359 0.705882
34 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.473988 0.852941
35 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.473684 0.823529
36 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.473373 0.753623
37 ALA VAL PRO TRP 0.471429 0.933333
38 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.471204 0.763158
39 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.469136 0.712121
40 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.46875 0.852459
41 ASN GLN DPR TRP GLN 0.467105 0.825397
42 TRP PRO TRP 0.466667 0.883333
43 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.465241 0.797297
44 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.464286 0.892308
45 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.461957 0.830986
46 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.461538 0.816901
47 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.460674 0.816901
48 PHE SER ASP PRO TRP GLY GLY 0.460123 0.820895
49 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.458333 0.776316
50 ACE ASN TRP GLU THR PHE 0.456954 0.686567
51 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.45679 0.676471
52 ILE SER PRO ARG THR LEU ASP ALA TRP 0.456522 0.773333
53 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.456522 0.826087
54 GLU LEU ASP ORN TRP ALA SER 0.455128 0.742424
55 PRO ALA TRP ASP GLU THR ASN LEU 0.451807 0.764706
56 ALA THR PRO PHE GLN GLU 0.450331 0.796875
57 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.450262 0.855072
58 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.449704 0.835821
59 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.447853 0.746269
60 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.447853 0.826087
61 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.447205 0.794118
62 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.447059 0.797101
63 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.446927 0.717949
64 GLY SER ASP PRO TRP LYS 0.44586 0.80597
65 GLY LEU MET TRP LEU SER TYR PHE VAL 0.445122 0.684932
66 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.44382 0.838235
67 GLU LEU ASP LYS TRP ALA SER 0.443038 0.757576
68 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.442529 0.72973
69 PRO ALA PRO PHE ALA ALA ALA 0.442177 0.836066
70 ALA LEU ASP LYS TRP ALA SER 0.441558 0.757576
71 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.441176 0.716667
72 PRO ALA PRO PHE ALA SER ALA 0.440789 0.787879
73 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.439759 0.691358
74 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.437909 0.753846
75 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.437838 0.756757
76 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.4375 0.828571
77 MET HIS PRO ALA GLN THR SER GLN TRP 0.437158 0.77027
78 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.436782 0.863636
79 TYR TRP ALA ALA ALA ALA 0.43662 0.65625
80 GLU LEU ASP HIS TRP ALA SER 0.434783 0.705882
81 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.434066 0.838235
82 TRP GLU GLU LEU 0.433824 0.783333
83 MET TRP ARG PRO TRP 0.433735 0.760563
84 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.43299 0.773333
85 GLU LEU ASP LYS TRP ALA ASN 0.43125 0.769231
86 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.43125 0.95082
87 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.430556 0.6875
88 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.428571 0.771429
89 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.427632 0.637681
90 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.425676 0.734375
91 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.42487 0.753247
92 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.423841 0.784615
93 ILE ASP TRP PHE GLU GLY LYS GLU 0.422619 0.825397
94 LEU PRO PHE GLU ARG ALA THR VAL MET 0.422222 0.710526
95 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.420455 0.850746
96 ALA LEU ASP LYS TRP ASP 0.42 0.793651
97 LEU PRO PHE GLU LYS SER THR VAL MET 0.41954 0.75
98 PRO GLY LEU TRP LYS SER 0.41875 0.852459
99 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.418182 0.863636
100 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.418079 0.662338
101 GLU LEU ASP NRG TRP ALA SER 0.417647 0.6375
102 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.417582 0.689189
103 LEU PRO PHE GLU ARG ALA THR ILE MET 0.417582 0.701299
104 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.417178 0.671429
105 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.417143 0.816901
106 VAL MET ALA PRO ARG THR LEU PHE LEU 0.417143 0.710526
107 GLU ALA ASP LYS TRP GLN SER 0.416149 0.727273
108 FME ASP VAL GLU ALA TRP LEU 0.415663 0.723077
109 GLU LEU ASP LYS TRP ALA GLY 0.415094 0.822581
110 ACE GLU TRP TRP TRP 0.414815 0.75
111 ACE PRO TRP ALA THR CYS ASP SER NH2 0.414201 0.814286
112 ILE ASP TRP PHE ASP GLY LYS GLU 0.414201 0.796875
113 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.410714 0.846154
114 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.409836 0.671053
115 SIN ALA LEU PRO PHE NIT 0.408805 0.777778
116 ARG LEU TRP SER 0.406667 0.685714
117 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.40625 0.870968
118 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.406061 0.80597
119 LYS PRO SEP GLN GLU LEU 0.405405 0.732394
120 ACE TRP ARG VAL PRO 0.405063 0.850746
121 GLU GLN ASP LYS TRP ALA SER 0.404908 0.727273
122 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.404624 0.805556
123 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.404494 0.802817
124 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.404494 0.773333
125 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.403727 0.623188
126 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.403727 0.602941
127 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.403509 0.73913
128 ACE PHE HIS PRO ALA NH2 0.402685 0.854839
129 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.401235 0.626866
130 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.4 0.823529
Ligand no: 2; Ligand: NAP; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 NAD IBO 0.716667 0.972222
8 NAD TDB 0.716667 0.972222
9 A3D 0.712 0.972603
10 NBP 0.707692 0.935065
11 NHD 0.68254 0.958904
12 NJP 0.661417 0.972973
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 AMP NAD 0.606061 0.958904
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 NAJ 0.567164 0.986111
23 A2R 0.563025 0.932432
24 NDC 0.561644 0.922078
25 NA7 0.552846 0.907895
26 ODP 0.551471 0.935065
27 A2P 0.539823 0.930556
28 8ID 0.537313 0.910256
29 NAD BBN 0.525974 0.865854
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NAD CJ3 0.519231 0.835294
34 NDP 0.514493 0.922078
35 PO4 PO4 A A A A PO4 0.503937 0.930556
36 1DG 0.503401 0.922078
37 DG1 0.503401 0.922078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 XNP 0.492958 0.875
41 25L 0.492308 0.958904
42 25A 0.492063 0.972222
43 NAD NDT 0.490909 0.747368
44 NMN 0.486726 0.888889
45 NGD 0.485714 0.935065
46 9JJ 0.481707 0.8875
47 2AM 0.477876 0.891892
48 NDP DTT 0.461538 0.843373
49 ADP 0.458333 0.945205
50 ADP MG 0.454545 0.944444
51 ADP BEF 0.454545 0.944444
52 A7R 0.452555 0.846154
53 PAP 0.451613 0.931507
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 7L1 0.441558 0.777778
57 ADP PO3 0.44 0.944444
58 AGS 0.44 0.896104
59 ATP MG 0.44 0.944444
60 M33 0.439024 0.906667
61 AR6 AR6 0.438849 0.945205
62 BA3 0.438017 0.945205
63 VO4 ADP 0.4375 0.945946
64 BEF ADP 0.436508 0.918919
65 OAD 0.43609 0.92
66 ADP BMA 0.43609 0.92
67 DQV 0.435714 0.958904
68 HEJ 0.435484 0.945205
69 ATP 0.435484 0.945205
70 OOB 0.435115 0.958904
71 AP5 0.434426 0.945205
72 B4P 0.434426 0.945205
73 GAP 0.433071 0.92
74 0WD 0.432432 0.922078
75 5FA 0.432 0.945205
76 2A5 0.432 0.87013
77 AQP 0.432 0.945205
78 AT4 0.430894 0.907895
79 HQG 0.430769 0.932432
80 00A 0.428571 0.909091
81 8LQ 0.427481 0.907895
82 DAL AMP 0.427481 0.932432
83 CA0 0.427419 0.92
84 ANP MG 0.426357 0.932432
85 ALF ADP 0.426357 0.871795
86 9X8 0.425373 0.871795
87 KG4 0.424 0.92
88 ACP 0.424 0.92
89 NAJ PZO 0.423841 0.897436
90 9SN 0.423358 0.897436
91 WAQ 0.422222 0.884615
92 ACQ 0.421875 0.92
93 V3L 0.421875 0.945205
94 ADQ 0.421053 0.92
95 AR6 0.420635 0.918919
96 APR 0.420635 0.918919
97 ATP A 0.42029 0.958333
98 ATP A A A 0.42029 0.958333
99 CO7 0.419753 0.786517
100 3OD 0.419118 0.92
101 1ZZ 0.419118 0.841463
102 DLL 0.41791 0.958904
103 AD9 0.417323 0.92
104 OVE 0.416667 0.857143
105 NAX 0.416667 0.875
106 QA7 0.416667 0.896104
107 MYR AMP 0.416058 0.841463
108 AV2 0.415385 0.868421
109 A3P 0.414634 0.944444
110 NNR 0.414414 0.72973
111 ALF ADP 3PG 0.413793 0.8625
112 OMR 0.413793 0.831325
113 6YZ 0.412214 0.92
114 ANP 0.410853 0.92
115 A1R 0.410448 0.860759
116 45A 0.409836 0.893333
117 ABM 0.409836 0.893333
118 AMP 0.408333 0.944444
119 A 0.408333 0.944444
120 SON 0.408 0.933333
121 PPS 0.407692 0.829268
122 8LE 0.407692 0.896104
123 5AL 0.407692 0.932432
124 NAI 0.406897 0.909091
125 7D3 0.406504 0.857143
126 AMP MG 0.404959 0.930556
127 ADX 0.404762 0.829268
128 ATF 0.40458 0.907895
129 3UK 0.404412 0.945946
130 AMP DBH 0.404255 0.894737
131 139 0.402685 0.875
132 50T 0.401575 0.906667
133 8LH 0.401515 0.907895
134 SRP 0.401515 0.907895
135 B5V 0.40146 0.933333
136 3AM 0.4 0.90411
137 B5M 0.4 0.921053
138 A3R 0.4 0.860759
139 KMQ 0.4 0.883117
140 FA5 0.4 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA PRO ALA TRP LEU PHE GLU ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: NAP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 TXD 0.9146
2 6V0 0.9079
3 AP0 0.8967
4 TXE 0.8646
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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