Receptor
PDB id Resolution Class Description Source Keywords
1W58 2.5 Å NON-ENZYME: CELL_CYCLE FTSZ GMPCPP SOAK I213 (M. JANNASCHII) METHANOCALDOCOCCUS JANNASCHII CELL DIVISION CELL DIVISION PROTEIN CELL-DIVISION PROTEINGTP-BINDING MULTIGENE FAMILY SEPTATION TUBULIN
Ref.: STRUCTURAL INSIGHTS INTO FTSZ PROTOFILAMENT FORMATI NAT.STRUCT.MOL.BIOL. V. 11 1243 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G2P 1:1362;
Valid;
none;
submit data
521.208 C11 H18 N5 O13 P3 c1nc2...
MG 1:1363;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VAP 1.7 Å NON-ENZYME: CELL_CYCLE FTSZ GDP M. JANNASCHII METHANOCALDOCOCCUS JANNASCHII CELL DIVISION POLYMERIZATION TUBULIN HOMOLOG GTPASE SEPTATION CELL CYCLE GTP-BINDING NUCLEOTIDE-BINDING BACTERIAL CELL DIVISION PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE CONFORMATIONAL VARIABILITY OF FTSZ J.MOL.BIOL. V. 373 1229 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1W5B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1W5A - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 1W58 - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
4 2VAP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1W5B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1W5A - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 1W58 - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
4 2VAP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4DXD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3WGM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2RHL - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 2RHO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 5XDV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5XDT - MB3 C5 H9 N O CN1CCCC1=O
7 5H5G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5H5H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5H5I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 5XDW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5MN4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 5XDU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 1W5F - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
14 1RQ2 ic50 = 3 mM CIT C6 H8 O7 C(C(=O)O)C....
15 1RLU - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
16 1W5B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 1W5A - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 1W58 - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
19 2VAP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 2R6R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 2R75 Kd = 714 nM 01G C14 H23 N6 O15 P3 C1COCCN1c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G2P; Similar ligands found: 122
No: Ligand ECFP6 Tc MDL keys Tc
1 G2P 1 1
2 GP2 0.839506 1
3 5GP 0.777778 0.948052
4 G 0.777778 0.948052
5 GDP 0.77381 0.961039
6 GCP 0.758621 0.987013
7 GTP 0.747126 0.961039
8 GP3 0.741176 0.936709
9 GNH 0.724138 0.948718
10 GAV 0.714286 0.925
11 GNP 0.711111 0.936709
12 9GM 0.711111 0.936709
13 G1R 0.7 0.948718
14 GSP 0.692308 0.91358
15 ALF 5GP 0.688889 0.857143
16 GMV 0.688889 0.936709
17 GDP AF3 0.680851 0.857143
18 G2R 0.673684 0.974359
19 GPG 0.649485 0.925
20 ALF GDP 0.645833 0.857143
21 GDP ALF 0.645833 0.857143
22 GMP 0.641975 0.846154
23 GKE 0.64 0.925
24 GDD 0.64 0.925
25 GDC 0.64 0.925
26 Y9Z 0.64 0.892857
27 G5P 0.637255 0.936709
28 YGP 0.63 0.869048
29 G3A 0.627451 0.936709
30 GTG 0.617647 0.902439
31 GDR 0.617647 0.925
32 GFB 0.617647 0.925
33 6CK 0.61165 0.902439
34 GDP 7MG 0.605769 0.878049
35 JB2 0.6 0.925
36 GKD 0.6 0.925
37 KB7 0.595745 0.797619
38 GPD 0.59434 0.914634
39 GDX 0.59434 0.936709
40 G3D 0.587629 0.948052
41 G G 0.586538 0.9125
42 3GP 0.577778 0.910256
43 G4P 0.575758 0.948052
44 0O2 0.568627 0.948052
45 JB3 0.567568 0.91358
46 NGD 0.5625 0.925
47 U2G 0.5625 0.902439
48 KBD 0.553398 0.797619
49 APC 0.553191 0.923077
50 CG2 0.552632 0.902439
51 FEG 0.548673 0.870588
52 2MD 0.547826 0.860465
53 ZGP 0.54386 0.860465
54 2GP 0.543478 0.923077
55 CAG 0.533898 0.850575
56 MGD 0.533898 0.860465
57 GCP G 0.533333 0.910256
58 KBJ 0.53271 0.790698
59 A G 0.529915 0.9
60 G A A A 0.529915 0.888889
61 U A G G 0.525424 0.9
62 GH3 0.519608 0.961039
63 MD1 0.516393 0.882353
64 PGD 0.516393 0.891566
65 GPX 0.509615 0.910256
66 FE9 0.508197 0.752577
67 TPG 0.508065 0.833333
68 DBG 0.508065 0.91358
69 DGI 0.50505 0.936709
70 DGT 0.5 0.936709
71 P2G 0.5 0.85
72 G1R G1R 0.496 0.890244
73 G4M 0.492424 0.872093
74 PGD O 0.492063 0.822222
75 G U 0.491525 0.86747
76 P1G 0.489796 0.8625
77 DG 0.489583 0.924051
78 DGP 0.489583 0.924051
79 IDP 0.484848 0.935065
80 AKW 0.483051 0.858824
81 BGO 0.483051 0.890244
82 IMP 0.479167 0.922078
83 ACQ 0.475248 0.910256
84 G C 0.471074 0.86747
85 G7M 0.459184 0.9125
86 GGM 0.459016 0.869048
87 G1G 0.452381 0.891566
88 MGP 0.451923 0.925
89 6G0 0.447619 0.925
90 APC G U 0.444444 0.9
91 ADV 0.441176 0.898734
92 RBY 0.441176 0.898734
93 SGP 0.44 0.797619
94 AP2 0.438776 0.923077
95 A12 0.438776 0.923077
96 R7I 0.438095 0.910256
97 R5I 0.438095 0.910256
98 C2E 0.436893 0.886076
99 35G 0.436893 0.897436
100 PCG 0.436893 0.897436
101 GPC 0.436508 0.848837
102 G G G RPC 0.435484 0.843373
103 6YZ 0.433962 0.910256
104 5GP 5GP 0.432692 0.85
105 G U34 0.430894 0.857143
106 DG DG 0.428571 0.879518
107 G G G C 0.426357 0.879518
108 A G U 0.42446 0.857143
109 A G C C 0.423077 0.878049
110 GTA 0.411765 0.902439
111 G2Q 0.410714 0.974359
112 G C C C 0.410448 0.890244
113 A G U U 0.409722 0.857143
114 ACP 0.407767 0.910256
115 ADP 0.405941 0.884615
116 MGQ 0.405405 0.901235
117 UCG 0.402985 0.878049
118 A 0.402062 0.858974
119 AMP 0.402062 0.858974
120 93A 0.401961 0.804598
121 AMZ 0.4 0.883117
122 C2R 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VAP; Ligand: GDP; 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: 2vap.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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