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 3 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 3 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 3 families.
1 1S1D - GP2 C11 H17 N5 O10 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GP2; Similar ligands found: 113
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 GTP 0.729412 0.961039
10 GMV 0.729412 0.936709
11 G1R 0.72093 0.948718
12 GTP MG 0.712644 0.923077
13 GNP 0.712644 0.936709
14 9GM 0.712644 0.936709
15 GSP 0.712644 0.91358
16 ALF 5GP 0.709302 0.857143
17 GDP BEF 0.701149 0.9
18 GAV 0.696629 0.925
19 GDP AF3 0.681319 0.857143
20 G2R 0.673913 0.974359
21 GPG 0.666667 0.925
22 YGP 0.663158 0.869048
23 GDP ALF 0.663043 0.857143
24 GMP 0.662338 0.846154
25 Y9Z 0.65625 0.892857
26 G3A 0.642857 0.936709
27 GDC 0.639175 0.925
28 GDD 0.639175 0.925
29 GKE 0.639175 0.925
30 G5P 0.636364 0.936709
31 GTG 0.632653 0.902439
32 GFB 0.632653 0.925
33 GDR 0.632653 0.925
34 KB7 0.629214 0.797619
35 6CK 0.626263 0.902439
36 GDP 7MG 0.62 0.878049
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 NGD 0.574074 0.925
46 FEG 0.574074 0.870588
47 NYZ 0.571429 0.974359
48 ZGP 0.568807 0.860465
49 G3D 0.568421 0.948052
50 CG2 0.563636 0.902439
51 KBJ 0.558824 0.790698
52 2MD 0.558559 0.860465
53 2GP 0.556818 0.923077
54 G4P 0.556701 0.948052
55 0O2 0.55 0.948052
56 CAG 0.54386 0.850575
57 MGD 0.54386 0.860465
58 FE9 0.529915 0.752577
59 A12 0.52809 0.923077
60 AP2 0.52809 0.923077
61 MD1 0.525424 0.882353
62 PGD 0.525424 0.891566
63 I2C FE2 CMO CMO 0.516949 0.782609
64 TPG 0.516667 0.833333
65 DBG 0.516667 0.91358
66 P1G 0.516129 0.8625
67 GH3 0.515152 0.961039
68 P2G 0.51087 0.85
69 O02 0.505263 0.9125
70 AKW 0.504425 0.858824
71 G1R G1R 0.504132 0.890244
72 DG 0.5 0.924051
73 PGD O 0.5 0.822222
74 DGP 0.5 0.924051
75 G C 0.491379 0.86747
76 GPX 0.490196 0.910256
77 IMP 0.48913 0.922078
78 DGI 0.484536 0.936709
79 DGT 0.48 0.936709
80 G4M 0.476923 0.872093
81 G7M 0.468085 0.9125
82 BGO 0.465517 0.890244
83 IDP 0.463918 0.935065
84 G1G 0.459016 0.891566
85 GPC 0.454545 0.848837
86 GGM 0.453782 0.869048
87 APC G U 0.451613 0.9
88 QBQ 0.45 0.948052
89 SGP 0.447917 0.797619
90 R7I 0.445545 0.910256
91 R5I 0.445545 0.910256
92 C2E 0.444444 0.886076
93 35G 0.444444 0.897436
94 PCG 0.444444 0.897436
95 5GP 5GP 0.44 0.85
96 APC 0.438776 0.923077
97 O05 0.435185 0.83908
98 ADV 0.434343 0.898734
99 RBY 0.434343 0.898734
100 MGP 0.431373 0.925
101 ACP 0.428571 0.910256
102 6G0 0.427184 0.925
103 M7G A2M G 0.422819 0.802198
104 93A 0.42268 0.804598
105 GTA 0.417391 0.902439
106 NIA 0.413043 0.797619
107 MGQ 0.411215 0.901235
108 A 0.408602 0.858974
109 AMP 0.408602 0.858974
110 AMZ 0.406593 0.883117
111 C2R 0.406593 0.871795
112 G2Q 0.40367 0.974359
113 MGV 0.4 0.858824
Similar Ligands (3D)
Ligand no: 1; Ligand: GP2; Similar ligands found: 16
No: Ligand Similarity coefficient
1 ADP 0.9485
2 7DD 0.9262
3 ADP MG 0.9186
4 ADX 0.9062
5 KG4 0.9052
6 M7G 0.9019
7 DAT 0.8985
8 AU1 0.8926
9 ATP 0.8802
10 XMP 0.8785
11 50T 0.8728
12 G8D 0.8722
13 PRX 0.8666
14 6CG 0.8657
15 AGS 0.8595
16 NWZ 0.8591
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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