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([...
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
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 0.740157 0.779661
3 PRO ALA TRP LEU PHE GLU ALA 0.727941 0.881356
4 ALA TRP LEU PHE GLU ALA 0.706349 0.779661
5 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.556213 0.80597
6 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.547771 0.919355
7 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.54375 0.966667
8 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.531646 0.876923
9 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.530864 0.966667
10 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.52795 0.772727
11 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.527607 0.873016
12 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.526627 0.794118
13 SER PRO LEU ASP SER LEU TRP TRP ILE 0.522293 0.865672
14 ASN ASP TRP LEU LEU PRO SER TYR 0.521212 0.816901
15 GLU PRO GLN ALA PRO TRP MET GLU 0.51875 0.876923
16 MET TYR TRP TYR PRO TYR 0.513158 0.820895
17 THR LEU PRO TRP ASP LEU TRP THR THR 0.512821 0.892308
18 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.511494 0.84058
19 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.509434 0.859375
20 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.505882 0.865672
21 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.505747 0.808824
22 GLU LEU GLU LYS TRP ALA SER 0.503448 0.793651
23 TRP GLU TYR ILE PRO ASN VAL 0.50303 0.852941
24 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.502857 0.919355
25 SER TRP PHE PRO 0.496454 0.815385
26 MDL 0.496454 0.735294
27 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.49359 0.83871
28 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.485549 0.826087
29 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.484848 0.782609
30 GLU LEU ASP HOX TRP ALA SER 0.480519 0.691176
31 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.474286 0.802817
32 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.473684 0.808824
33 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.473373 0.73913
34 ARG TYR PRO LEU THR PHE GLY TRP 0.472222 0.783784
35 ARG PHE PRO LEU THR PHE GLY TRP 0.471591 0.805556
36 TRP PRO TRP 0.470149 0.881356
37 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.468927 0.802817
38 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.468421 0.75
39 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.466258 0.69697
40 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.464516 0.816667
41 ALA VAL PRO TRP 0.464286 0.915254
42 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.464286 0.861538
43 GLY SER ASP PRO TRP LYS 0.464052 0.80303
44 PRO GLN PHE SER LEU TRP LYS ARG 0.4625 0.772727
45 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.459016 0.828571
46 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.458333 0.833333
47 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.456044 0.811594
48 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.455621 0.768116
49 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.454545 0.783784
50 PHE SER ASP PRO TRP GLY GLY 0.453988 0.818182
51 MET TRP ARG PRO TRP 0.453416 0.746479
52 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.453416 0.779412
53 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.45283 0.742424
54 GLU LEU ASP LYS TRP ALA SER 0.45098 0.753846
55 ALA LEU ASP LYS TRP ALA SER 0.449664 0.753846
56 ILE SER PRO ARG THR LEU ASP ALA TRP 0.448649 0.76
57 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.447917 0.763158
58 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.447368 0.84058
59 LEU PRO PHE GLU LYS SER THR VAL MET 0.447059 0.746479
60 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.446927 0.714286
61 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.446927 0.743243
62 PRO ALA PRO PHE ALA ALA ALA 0.445946 0.847458
63 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.445783 0.705128
64 GLU LEU ASP ORN TRP ALA SER 0.445161 0.738462
65 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.445122 0.661765
66 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.444444 0.830769
67 PRO ALA PRO PHE ALA SER ALA 0.444444 0.784615
68 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.443182 0.716216
69 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.442953 0.632353
70 GLY LEU MET TRP LEU SER TYR PHE VAL 0.442424 0.680556
71 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.44 0.78125
72 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.439716 0.68254
73 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.43949 0.95
74 GLU LEU ASP LYS TRP ALA ASN 0.43871 0.765625
75 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.437838 0.74026
76 TYR TRP ALA ALA ALA ALA 0.43662 0.650794
77 MET HIS PRO ALA GLN THR SER GLN TRP 0.436464 0.756757
78 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.43617 0.76
79 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.435583 0.767123
80 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.435583 0.833333
81 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.435028 0.814286
82 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.432749 0.666667
83 LEU PRO PHE GLU ARG ALA THR VAL MET 0.432584 0.697368
84 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.432258 0.75
85 GLU LEU ASP HIS TRP ALA SER 0.43125 0.701493
86 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.431034 0.848485
87 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.430168 0.72973
88 ALA LEU ASP LYS TRP ASP 0.427586 0.803279
89 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.426966 0.708861
90 TRP GLU GLU LEU 0.426471 0.779661
91 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.426035 0.835821
92 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.425676 0.71875
93 LEU PRO PHE GLU ARG ALA THR ILE MET 0.425414 0.688312
94 SER ASP ILE LEU PHE PRO ALA ASP SER 0.425 0.776119
95 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.425 0.666667
96 ILE ASP TRP PHE GLU GLY LYS GLU 0.424242 0.822581
97 ACE ASN TRP GLU THR PHE 0.424051 0.671642
98 PHE SER ALA PTR PRO SER GLU GLU ASP 0.421053 0.684211
99 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.420455 0.743243
100 GLU ALA ASP LYS TRP GLN SER 0.420382 0.712121
101 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.41954 0.785714
102 GLU LEU ASP LYS TRP ALA GLY 0.419355 0.819672
103 FME ASP VAL GLU ALA TRP LEU 0.415663 0.734375
104 ILE ASP TRP PHE ASP GLY LYS GLU 0.415663 0.793651
105 ACE GLU TRP TRP TRP 0.414815 0.762712
106 PRO GLN PRO VAL ASP SER TRP VAL 0.414773 0.835821
107 GLU LEU ASP NRG TRP ALA SER 0.414201 0.625
108 ACE TRP ARG VAL PRO 0.414013 0.835821
109 VAL MET ALA PRO ARG THR LEU PHE LEU 0.413793 0.697368
110 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.41358 0.790323
111 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.4125 0.883333
112 LYS PRO SEP GLN GLU LEU 0.412162 0.71831
113 GLU GLN ASP LYS TRP ALA SER 0.411392 0.712121
114 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.411111 0.657895
115 PHE PRO THR LYS ASP VAL ALA LEU 0.409639 0.815385
116 ASP GLU ASP LYS TRP ASP ASP PHE 0.409396 0.754098
117 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.409091 0.814286
118 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.40884 0.716216
119 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.408805 0.617647
120 ARG LEU TRP SER 0.408163 0.671429
121 ALA LEU ASP LYS TRP GLN ASN 0.408163 0.816667
122 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.40678 0.708861
123 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.406417 0.701299
124 TYR PRO PHE PHE NH2 0.405594 0.777778
125 DHI PRO PHE HIS LEU LEU VAL TYR 0.405556 0.861538
126 GLU ASN ASP LYS TRP ALA SER 0.405063 0.676471
127 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.402299 0.791667
128 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.401163 0.826087
129 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.4 0.694444
130 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.4 0.724638
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
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 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
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 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
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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