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: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 GP2 1 1
2 G2P 0.839506 1
3 G 0.805195 0.948052
4 5GP 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 GDP MG 0.717647 0.888889
13 GNP 0.712644 0.936709
14 GSP 0.712644 0.91358
15 GDP BEF 0.709302 0.86747
16 ALF 5GP 0.709302 0.857143
17 GTP MG 0.704545 0.888889
18 GAV 0.696629 0.925
19 GCP G 0.696629 0.924051
20 BEF GDP 0.685393 0.857143
21 GDP AF3 0.681319 0.857143
22 G2R 0.673913 0.974359
23 GPG 0.666667 0.925
24 YGP 0.663158 0.869048
25 GDP ALF 0.663043 0.857143
26 GMP 0.662338 0.846154
27 Y9Z 0.65625 0.892857
28 G3A 0.642857 0.936709
29 G G 0.642105 0.9
30 GDD 0.639175 0.925
31 GKE 0.639175 0.925
32 GDC 0.639175 0.925
33 G5P 0.636364 0.936709
34 GDR 0.632653 0.925
35 GFB 0.632653 0.925
36 GTG 0.632653 0.902439
37 6CK 0.626263 0.902439
38 GDP 7MG 0.62 0.878049
39 GKD 0.613861 0.925
40 JB2 0.613861 0.925
41 GPD 0.607843 0.914634
42 GDX 0.607843 0.936709
43 3GP 0.593023 0.910256
44 JB3 0.579439 0.91358
45 U2G 0.574074 0.902439
46 FEG 0.574074 0.870588
47 NGD 0.574074 0.925
48 ZGP 0.568807 0.860465
49 G3D 0.568421 0.948052
50 CG2 0.563636 0.902439
51 2MD 0.558559 0.860465
52 2GP 0.556818 0.923077
53 G4P 0.556701 0.948052
54 0O2 0.55 0.948052
55 U A G G 0.548673 0.9
56 CAG 0.54386 0.850575
57 MGD 0.54386 0.860465
58 G A A A 0.539823 0.888889
59 I2C FE2 CMO CMO 0.53913 0.782609
60 FE9 0.529915 0.752577
61 A12 0.52809 0.923077
62 AP2 0.52809 0.923077
63 PGD 0.525424 0.891566
64 MD1 0.525424 0.882353
65 DBG 0.516667 0.91358
66 TPG 0.516667 0.833333
67 P1G 0.516129 0.8625
68 GH3 0.515152 0.961039
69 P2G 0.51087 0.85
70 G1R G1R 0.504132 0.890244
71 DG 0.5 0.924051
72 DGP 0.5 0.924051
73 PGD O 0.5 0.822222
74 G G U 0.495413 0.9
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 APC G U 0.46281 0.9
85 G1G 0.459016 0.891566
86 U G A 0.458647 0.857143
87 G G G C 0.455285 0.879518
88 GPC 0.454545 0.848837
89 G G G RPC 0.453782 0.843373
90 GGM 0.453782 0.869048
91 A G C C 0.451613 0.878049
92 SGP 0.447917 0.797619
93 PCG 0.444444 0.897436
94 C2E 0.444444 0.886076
95 35G 0.444444 0.897436
96 A G U 0.440298 0.857143
97 5GP 5GP 0.44 0.85
98 APC 0.438776 0.923077
99 G C C C 0.4375 0.890244
100 G U34 0.436975 0.857143
101 DG DG 0.435185 0.879518
102 ADV 0.434343 0.898734
103 RBY 0.434343 0.898734
104 MGP 0.431373 0.925
105 ACP 0.428571 0.910256
106 6G0 0.427184 0.925
107 93A 0.42268 0.804598
108 GTA 0.417391 0.902439
109 NIA 0.413043 0.797619
110 MGQ 0.411215 0.901235
111 AMP 0.408602 0.858974
112 A 0.408602 0.858974
113 AMZ 0.406593 0.883117
114 C2R 0.406593 0.871795
115 G2Q 0.40367 0.974359
116 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: 9
This union binding pocket(no: 1) in the query (biounit: 1s1d.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DFB KAN 0.006384 0.42322 2.17391
2 4S00 AKR 0.006313 0.43157 2.41692
3 1UPR 4IP 0.01579 0.40925 2.43902
4 5EXK 5AD 0.01749 0.40743 2.71903
5 2WBV SIA 0.007246 0.43731 3.7037
6 1JPA ANP 0.02018 0.41317 3.84615
7 1SL6 GAL NDG FUC 0.008551 0.42074 7.06522
8 1PVC ILE SER GLU VAL 0.02294 0.40048 10.9244
9 5BTX CMP 0.02292 0.40371 11.6438
Pocket No.: 2; Query (leader) PDB : 1S1D; Ligand: GP2; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 1s1d.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4U5I BXP 0.01294 0.41417 2.41692
2 3V1S 0LH 0.01593 0.40816 2.79503
3 2GK6 ADP 0.02472 0.40157 4.22961
4 2VGD XYP XYP XYP FX3 0.009125 0.40381 5.50459
5 4YMJ 4EJ 0.02346 0.40336 6.25
6 1O9U ADZ 0.04189 0.40595 7.25076
7 3Q3H UDP 0.01346 0.40375 7.25076
8 2XOC ADP 0.03702 0.42234 8.81226
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