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 PROTEIN COMPLETE PROTEOME FTSZ GTP-BINDING MULTIGENE FAMILY SEPTATION TUBULIN
Ref.: STRUCTURAL INSIGHTS INTO FTSZ PROTOFILAMENT FORMATION 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 24 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: 117
No: Ligand ECFP6 Tc MDL keys Tc
1 G2P 1 1
2 GP2 0.839506 1
3 G 0.777778 0.948052
4 5GP 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 G1R 0.7 0.948718
13 GDP MG 0.696629 0.888889
14 GSP 0.692308 0.91358
15 GMV 0.688889 0.936709
16 ALF 5GP 0.688889 0.857143
17 GDP BEF 0.688889 0.86747
18 GTP MG 0.684783 0.888889
19 GDP AF3 0.680851 0.857143
20 GCP G 0.677419 0.924051
21 G2R 0.673684 0.974359
22 BEF GDP 0.666667 0.857143
23 GPG 0.649485 0.925
24 GDP ALF 0.645833 0.857143
25 GMP 0.641975 0.846154
26 GDC 0.64 0.925
27 GDD 0.64 0.925
28 Y9Z 0.64 0.892857
29 GKE 0.64 0.925
30 G5P 0.637255 0.936709
31 YGP 0.63 0.869048
32 G3A 0.627451 0.936709
33 GTG 0.617647 0.902439
34 GFB 0.617647 0.925
35 GDR 0.617647 0.925
36 6CK 0.61165 0.902439
37 G G 0.61 0.9
38 GDP 7MG 0.605769 0.878049
39 GKD 0.6 0.925
40 JB2 0.6 0.925
41 GPD 0.59434 0.914634
42 GDX 0.59434 0.936709
43 G3D 0.587629 0.948052
44 3GP 0.577778 0.910256
45 G4P 0.575758 0.948052
46 0O2 0.568627 0.948052
47 JB3 0.567568 0.91358
48 U2G 0.5625 0.902439
49 NGD 0.5625 0.925
50 APC 0.553191 0.923077
51 CG2 0.552632 0.902439
52 FEG 0.548673 0.870588
53 2MD 0.547826 0.860465
54 ZGP 0.54386 0.860465
55 2GP 0.543478 0.923077
56 CAG 0.533898 0.850575
57 MGD 0.533898 0.860465
58 G A A A 0.529915 0.888889
59 U A G G 0.525424 0.9
60 GH3 0.519608 0.961039
61 MD1 0.516393 0.882353
62 PGD 0.516393 0.891566
63 GPX 0.509615 0.910256
64 FE9 0.508197 0.752577
65 DBG 0.508065 0.91358
66 TPG 0.508065 0.833333
67 DGI 0.50505 0.936709
68 I2C FE2 CMO CMO 0.504132 0.782609
69 P2G 0.5 0.85
70 DGT 0.5 0.936709
71 G1R G1R 0.496 0.890244
72 G4M 0.492424 0.872093
73 PGD O 0.492063 0.822222
74 P1G 0.489796 0.8625
75 DGP 0.489583 0.924051
76 DG 0.489583 0.924051
77 IDP 0.484848 0.935065
78 BGO 0.483051 0.890244
79 IMP 0.479167 0.922078
80 ACQ 0.475248 0.910256
81 G G U 0.473684 0.9
82 G C 0.471074 0.86747
83 G7M 0.459184 0.9125
84 GGM 0.459016 0.869048
85 U G A 0.452555 0.857143
86 G1G 0.452381 0.891566
87 MGP 0.451923 0.925
88 6G0 0.447619 0.925
89 APC G U 0.444444 0.9
90 ADV 0.441176 0.898734
91 RBY 0.441176 0.898734
92 SGP 0.44 0.797619
93 AP2 0.438776 0.923077
94 A12 0.438776 0.923077
95 PCG 0.436893 0.897436
96 C2E 0.436893 0.886076
97 35G 0.436893 0.897436
98 GPC 0.436508 0.848837
99 G G G RPC 0.435484 0.843373
100 5GP 5GP 0.432692 0.85
101 G U34 0.430894 0.857143
102 DG DG 0.428571 0.879518
103 G G G C 0.426357 0.879518
104 A G U 0.42446 0.857143
105 A G C C 0.423077 0.878049
106 GTA 0.411765 0.902439
107 G2Q 0.410714 0.974359
108 G C C C 0.410448 0.890244
109 ACP 0.407767 0.910256
110 ADP 0.405941 0.884615
111 MGQ 0.405405 0.901235
112 UCG 0.402985 0.878049
113 A 0.402062 0.858974
114 AMP 0.402062 0.858974
115 93A 0.401961 0.804598
116 AMZ 0.4 0.883117
117 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: 68
This union binding pocket(no: 1) in the query (biounit: 2vap.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VPD TLA 0.04018 0.40317 1.67224
2 4Z24 FAD 0.007205 0.40318 1.92308
3 4XNV BUR 0.02684 0.42033 2.1978
4 1BZL FAD 0.02596 0.40703 2.1978
5 2OUA AES 0.02095 0.41322 2.65957
6 2CHN NGT 0.01757 0.40607 2.74725
7 4JZ8 CIT 0.002786 0.46649 2.83912
8 4RW3 TDA 0.02905 0.42344 2.98013
9 4ISS TAR 0.01987 0.42124 3.02198
10 5ABF XRJ 0.01831 0.40183 3.02198
11 3I9U DTU 0.02617 0.40665 3.04183
12 3OFK SAH 0.008111 0.41495 3.24074
13 4JBL MET 0.0118 0.43106 3.24484
14 1WDI CIT 0.008945 0.43735 3.47826
15 4MXP DB4 0.009888 0.41812 3.65854
16 2V57 PRL 0.03678 0.4067 3.68421
17 5V4R MGT 0.04132 0.40725 3.7037
18 2VOH CIT 0.02001 0.42486 3.82166
19 1Z44 FMN 0.01627 0.40768 3.84615
20 2R0D 4IP 0.01124 0.4276 4.03458
21 1HE1 AF3 0.03183 0.40899 4.44444
22 3TK1 GDP 0.02093 0.41782 4.54545
23 1W62 PYC 0.03825 0.40378 4.67033
24 2GNB MAN 0.01621 0.42226 4.7619
25 2GMP NAG MAN 0.03289 0.40864 4.7619
26 2GMM MAN MAN 0.03202 0.40487 4.7619
27 5AOA PPI 0.009014 0.40603 4.8951
28 2X1L MET 0.01684 0.4228 4.94506
29 2WW4 ADP 0.02472 0.40231 5.30035
30 5UC9 MYR 0.0181 0.41686 5.30973
31 3R4S SIA 0.01384 0.42967 5.49451
32 3ICS ADP 0.01966 0.40725 5.49451
33 4K6B GLU 0.04149 0.40188 5.59006
34 2NU5 NAG 0.04171 0.4035 5.7377
35 1VPE ANP 0.006313 0.40401 5.76923
36 5M6N 7H9 0.006411 0.44512 5.9322
37 3KP6 SAL 0.02891 0.40683 5.96026
38 4L50 D8X 0.01748 0.40977 6.01504
39 4OWK NGA 0.02502 0.40152 6.52174
40 4D86 ADP 0.003683 0.42349 6.59341
41 5MST FUM 0.01689 0.41842 6.59341
42 1LES GLC FRU 0.02 0.41783 7.18232
43 3M89 GSP 0.0000003608 0.63979 7.49415
44 2WLT ASP 0.02999 0.40544 8.13253
45 3UEC ALA ARG TPO LYS 0.002164 0.47699 8.90411
46 2YPI PGA 0.01757 0.41347 8.90688
47 5HTX ADP 0.004043 0.44567 10.1648
48 1OFS SUC 0.02425 0.41549 10.4167
49 1FS5 TLA 0.01766 0.40256 10.7143
50 5NUL FMN 0.01219 0.40679 10.8696
51 1YBH P22 0.02964 0.40194 10.989
52 4Q3F TLA 0.03738 0.40001 11.1111
53 2JAC GSH 0.03851 0.40719 11.8182
54 5EYP GDP 0.000000008803 0.60742 12.9121
55 5EIB GTP 0.0000001552 0.57758 12.9121
56 5EYP GTP 0.0000000679 0.56846 12.9121
57 5ITZ GTP 0.00000006982 0.56828 12.9121
58 5ITZ GDP 0.0000001065 0.54108 12.9121
59 3CB2 GDP 0.0000001474 0.49784 13.7363
60 2BTO GTP 0.0000000001884 0.6455 14.5604
61 3RYC GTP 0.000000001118 0.65317 15.1099
62 4LNU GTP 0.0000001664 0.55414 15.1099
63 3RYC GDP 0.000000155 0.54264 15.1099
64 4LNU GDP 0.0000003327 0.51721 15.1099
65 1O94 ADP 0.00567 0.40311 15.6593
66 3ZBQ GDP 0.00000004116 0.64174 16.2088
67 3CM2 X23 0.01015 0.43653 19.2308
68 4EI7 GDP 0.00000002977 0.62562 19.5055
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