Receptor
PDB id Resolution Class Description Source Keywords
1S1D 1.6 Å EC: 3.6.1.5 STRUCTURE AND PROTEIN DESIGN OF HUMAN APYRASE HOMO SAPIENS ADPASE FIVE-BLADE BETA PROPELLER CALCIUM-BINDING PROTEIN NUCLEOTIDE-BINDING MOTIF HYDROLASE
Ref.: STRUCTURE AND PROTEIN DESIGN OF A HUMAN PLATELET FUNCTION INHIBITOR. CELL(CAMBRIDGE,MASS.) V. 116 649 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:2001;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:1001;
B:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GP2 A:4001;
B:4002;
Valid;
Valid;
none;
none;
submit data
441.228 C11 H17 N5 O10 P2 c1nc2...
SO4 B:3001;
B:3002;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
TRS A:5001;
A:5002;
A:5005;
A:5007;
B:5003;
B:5004;
B:5006;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S1D 1.6 Å EC: 3.6.1.5 STRUCTURE AND PROTEIN DESIGN OF HUMAN APYRASE HOMO SAPIENS ADPASE FIVE-BLADE BETA PROPELLER CALCIUM-BINDING PROTEIN NUCLEOTIDE-BINDING MOTIF HYDROLASE
Ref.: STRUCTURE AND PROTEIN DESIGN OF A HUMAN PLATELET FUNCTION INHIBITOR. CELL(CAMBRIDGE,MASS.) V. 116 649 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1S1D - GP2 C11 H17 N5 O10 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1S1D - GP2 C11 H17 N5 O10 P2 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1S1D - GP2 C11 H17 N5 O10 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GP2; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 GP2 1 1
2 G2P 0.839506 1
3 5GP 0.805195 0.948052
4 G 0.805195 0.948052
5 GCP 0.804878 0.987013
6 GP3 0.765432 0.936709
7 GDP 0.756098 0.961039
8 GNH 0.746988 0.948718
9 GMV 0.729412 0.936709
10 GTP 0.729412 0.961039
11 G1R 0.72093 0.948718
12 9GM 0.712644 0.936709
13 GNP 0.712644 0.936709
14 GSP 0.712644 0.91358
15 ALF 5GP 0.709302 0.857143
16 GAV 0.696629 0.925
17 GDP AF3 0.681319 0.857143
18 G2R 0.673913 0.974359
19 GPG 0.666667 0.925
20 YGP 0.663158 0.869048
21 ALF GDP 0.663043 0.857143
22 GDP ALF 0.663043 0.857143
23 GMP 0.662338 0.846154
24 Y9Z 0.65625 0.892857
25 G3A 0.642857 0.936709
26 GKE 0.639175 0.925
27 GDC 0.639175 0.925
28 GDD 0.639175 0.925
29 G5P 0.636364 0.936709
30 GFB 0.632653 0.925
31 GDR 0.632653 0.925
32 GTG 0.632653 0.902439
33 KB7 0.629214 0.797619
34 6CK 0.626263 0.902439
35 GDP 7MG 0.62 0.878049
36 G G 0.616162 0.9125
37 JB2 0.613861 0.925
38 GKD 0.613861 0.925
39 GDX 0.607843 0.936709
40 GPD 0.607843 0.914634
41 3GP 0.593023 0.910256
42 KBD 0.581633 0.797619
43 JB3 0.579439 0.91358
44 U2G 0.574074 0.902439
45 FEG 0.574074 0.870588
46 NGD 0.574074 0.925
47 ZGP 0.568807 0.860465
48 G3D 0.568421 0.948052
49 CG2 0.563636 0.902439
50 KBJ 0.558824 0.790698
51 2MD 0.558559 0.860465
52 2GP 0.556818 0.923077
53 G4P 0.556701 0.948052
54 A G 0.553571 0.9
55 0O2 0.55 0.948052
56 U A G G 0.548673 0.9
57 GCP G 0.544554 0.910256
58 MGD 0.54386 0.860465
59 CAG 0.54386 0.850575
60 G A A A 0.539823 0.888889
61 FE9 0.529915 0.752577
62 AP2 0.52809 0.923077
63 A12 0.52809 0.923077
64 PGD 0.525424 0.891566
65 MD1 0.525424 0.882353
66 TPG 0.516667 0.833333
67 DBG 0.516667 0.91358
68 P1G 0.516129 0.8625
69 GH3 0.515152 0.961039
70 G U 0.513274 0.86747
71 P2G 0.51087 0.85
72 AKW 0.504425 0.858824
73 G1R G1R 0.504132 0.890244
74 DG 0.5 0.924051
75 PGD O 0.5 0.822222
76 DGP 0.5 0.924051
77 G C 0.491379 0.86747
78 GPX 0.490196 0.910256
79 IMP 0.48913 0.922078
80 DGI 0.484536 0.936709
81 DGT 0.48 0.936709
82 G4M 0.476923 0.872093
83 G7M 0.468085 0.9125
84 BGO 0.465517 0.890244
85 IDP 0.463918 0.935065
86 APC G U 0.46281 0.9
87 G1G 0.459016 0.891566
88 G G G C 0.455285 0.879518
89 GPC 0.454545 0.848837
90 G G G RPC 0.453782 0.843373
91 GGM 0.453782 0.869048
92 A G C C 0.451613 0.878049
93 SGP 0.447917 0.797619
94 R5I 0.445545 0.910256
95 R7I 0.445545 0.910256
96 PCG 0.444444 0.897436
97 C2E 0.444444 0.886076
98 35G 0.444444 0.897436
99 A G U 0.440298 0.857143
100 5GP 5GP 0.44 0.85
101 APC 0.438776 0.923077
102 G C C C 0.4375 0.890244
103 G U34 0.436975 0.857143
104 DG DG 0.435185 0.879518
105 ADV 0.434343 0.898734
106 RBY 0.434343 0.898734
107 MGP 0.431373 0.925
108 ACP 0.428571 0.910256
109 6G0 0.427184 0.925
110 A G U U 0.42446 0.857143
111 93A 0.42268 0.804598
112 GTA 0.417391 0.902439
113 NIA 0.413043 0.797619
114 MGQ 0.411215 0.901235
115 A 0.408602 0.858974
116 AMP 0.408602 0.858974
117 C2R 0.406593 0.871795
118 AMZ 0.406593 0.883117
119 G2Q 0.40367 0.974359
120 MGV 0.4 0.858824
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S1D; Ligand: GP2; 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: 1s1d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1S1D; Ligand: GP2; 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: 1s1d.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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