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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 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 17 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: 119
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 9GM 0.711111 0.936709
13 G1R 0.7 0.948718
14 GSP 0.692308 0.91358
15 GMV 0.688889 0.936709
16 ALF 5GP 0.688889 0.857143
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 Y9Z 0.64 0.892857
24 GDD 0.64 0.925
25 GKE 0.64 0.925
26 GDC 0.64 0.925
27 G5P 0.637255 0.936709
28 YGP 0.63 0.869048
29 G3A 0.627451 0.936709
30 GFB 0.617647 0.925
31 GTG 0.617647 0.902439
32 GDR 0.617647 0.925
33 6CK 0.61165 0.902439
34 GDP 7MG 0.605769 0.878049
35 GKD 0.6 0.925
36 JB2 0.6 0.925
37 GDX 0.59434 0.936709
38 GPD 0.59434 0.914634
39 G3D 0.587629 0.948052
40 G G 0.586538 0.9125
41 3GP 0.577778 0.910256
42 G4P 0.575758 0.948052
43 0O2 0.568627 0.948052
44 JB3 0.567568 0.91358
45 U2G 0.5625 0.902439
46 NGD 0.5625 0.925
47 APC 0.553191 0.923077
48 CG2 0.552632 0.902439
49 FEG 0.548673 0.870588
50 2MD 0.547826 0.860465
51 ZGP 0.54386 0.860465
52 2GP 0.543478 0.923077
53 CAG 0.533898 0.850575
54 MGD 0.533898 0.860465
55 GCP G 0.533333 0.910256
56 G A A A 0.529915 0.888889
57 A G 0.529915 0.9
58 U A G G 0.525424 0.9
59 GH3 0.519608 0.961039
60 PGD 0.516393 0.891566
61 MD1 0.516393 0.882353
62 GPX 0.509615 0.910256
63 FE9 0.508197 0.752577
64 TPG 0.508065 0.833333
65 DBG 0.508065 0.91358
66 DGI 0.50505 0.936709
67 P2G 0.5 0.85
68 DGT 0.5 0.936709
69 G1R G1R 0.496 0.890244
70 G4M 0.492424 0.872093
71 PGD O 0.492063 0.822222
72 G U 0.491525 0.86747
73 P1G 0.489796 0.8625
74 DGP 0.489583 0.924051
75 DG 0.489583 0.924051
76 IDP 0.484848 0.935065
77 AKW 0.483051 0.858824
78 BGO 0.483051 0.890244
79 IMP 0.479167 0.922078
80 ACQ 0.475248 0.910256
81 G C 0.471074 0.86747
82 G7M 0.459184 0.9125
83 GGM 0.459016 0.869048
84 G1G 0.452381 0.891566
85 MGP 0.451923 0.925
86 6G0 0.447619 0.925
87 APC G U 0.444444 0.9
88 RBY 0.441176 0.898734
89 ADV 0.441176 0.898734
90 SGP 0.44 0.797619
91 AP2 0.438776 0.923077
92 A12 0.438776 0.923077
93 R5I 0.438095 0.910256
94 R7I 0.438095 0.910256
95 35G 0.436893 0.897436
96 PCG 0.436893 0.897436
97 C2E 0.436893 0.886076
98 GPC 0.436508 0.848837
99 G G G RPC 0.435484 0.843373
100 6YZ 0.433962 0.910256
101 5GP 5GP 0.432692 0.85
102 G U34 0.430894 0.857143
103 DG DG 0.428571 0.879518
104 G G G C 0.426357 0.879518
105 A G U 0.42446 0.857143
106 A G C C 0.423077 0.878049
107 GTA 0.411765 0.902439
108 G2Q 0.410714 0.974359
109 G C C C 0.410448 0.890244
110 A G U U 0.409722 0.857143
111 ACP 0.407767 0.910256
112 ADP 0.405941 0.884615
113 MGQ 0.405405 0.901235
114 UCG 0.402985 0.878049
115 AMP 0.402062 0.858974
116 A 0.402062 0.858974
117 93A 0.401961 0.804598
118 C2R 0.4 0.871795
119 AMZ 0.4 0.883117
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: 164
This union binding pocket(no: 1) in the query (biounit: 2vap.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3QXQ CE5 1.64835
3 5NC1 NAG 1.68776
4 5NM7 GLY 1.8797
5 2J0V GDP 1.88679
6 4TQK NAG 1.92308
7 4Z24 FAD 1.92308
8 3WW2 SF9 1.95312
9 4XNV BUR 2.1978
10 1XX4 BAM 2.29885
11 4ZNO SUC 2.38806
12 1NVT NAP 2.43902
13 4XFR CIT 2.47253
14 4UCF GLA 2.47253
15 2OUA AES 2.65957
16 2CHN NGT 2.74725
17 1T9D P22 2.74725
18 4JZ8 CIT 2.83912
19 1MVQ MMA 2.9661
20 4RW3 TDA 2.98013
21 4GN8 ASO 3.02198
22 5A96 GTP 3.02198
23 4ISS TAR 3.02198
24 4M00 SUC 3.02198
25 5ABF XRJ 3.02198
26 5OLK DTP 3.02198
27 5OSW CIT 3.02198
28 3I9U DTU 3.04183
29 4UTU LRY 3.05677
30 4UTW RFW 3.05677
31 3GD8 GOL 3.13901
32 5KUT GDP 3.1746
33 5XJD 87L 3.18182
34 3OFK SAH 3.24074
35 4JBL MET 3.24484
36 1MID LAP 3.2967
37 1WDI CIT 3.47826
38 3B8I OXL 3.48432
39 3ITJ CIT 3.5503
40 2JK0 ASP 3.57143
41 5YV5 ADP 3.57143
42 5IM3 DTP 3.57143
43 4MXP DB4 3.65854
44 2V57 PRL 3.68421
45 5V4R MGT 3.7037
46 2R09 4IP 3.7464
47 1KUJ MMA 3.7594
48 3KIF GDL 3.77358
49 2VOH CIT 3.82166
50 3ENV ABF 3.84615
51 1Z48 FMN 3.84615
52 1OHE ACE ALA SEP PRO 3.84615
53 1Z44 FMN 3.84615
54 4GYS MLI 3.84615
55 4UP4 GAL NAG 3.99003
56 2R0D 4IP 4.03458
57 2HIM ASP 4.12088
58 1CT9 AMP 4.12088
59 3ENG CBI 4.22535
60 2RI1 GLP 4.25532
61 4A59 AMP 4.3956
62 1Z0A GDP 4.3956
63 1LVW TYD 4.40678
64 1HE1 AF3 4.44444
65 5F90 LMR 4.48718
66 3TK1 GDP 4.54545
67 3B6O TMP 4.67033
68 5A1S FLC 4.67033
69 5WS9 OXL 4.67033
70 1W62 PYC 4.67033
71 3ZF8 GDP 4.67033
72 2GNB MAN 4.7619
73 2GMP NAG MAN 4.7619
74 2GMM MAN MAN 4.7619
75 5AOA PPI 4.8951
76 2HZL PYR 4.93151
77 2X1L MET 4.94506
78 1LK7 DER 4.94506
79 1OXV ANP 5.09915
80 2VSL MAA LYS PRO PHE 5.20833
81 2YVJ NAI 5.21978
82 4V15 PLP 5.27704
83 2V7B BEZ 5.29301
84 2WW4 ADP 5.30035
85 5UC9 MYR 5.30973
86 3R4S SIA 5.49451
87 5FBK TCR 5.49451
88 3ICS ADP 5.49451
89 3ICT ADP 5.49451
90 1KJ8 GAR 5.49451
91 5DNC ASN 5.49451
92 4K6B GLU 5.59006
93 3QPB URA 5.67376
94 2GUD MAN 5.7377
95 2GUD BMA 5.7377
96 2NU5 NAG 5.7377
97 2HYQ MAN MAN 5.7377
98 1T0S BML 5.75758
99 1VPE ANP 5.76923
100 5M6N 7H9 5.9322
101 4GKV NAD 5.95238
102 3KP6 SAL 5.96026
103 4L50 D8X 6.01504
104 1BW9 NAD 6.17978
105 3K5I AIR 6.31868
106 1V59 NAD 6.31868
107 1NPD NAD 6.31868
108 4RRG A3T 6.38298
109 3WUR O4B 6.43275
110 4OWK NGA 6.52174
111 2FJK 13P 6.55738
112 4JLS 3ZE 6.57895
113 4D86 ADP 6.59341
114 5MST FUM 6.59341
115 3KAL HGS 6.86813
116 4V1F BQ1 6.97674
117 5FPE 3TR 7.14286
118 1LES GLC FRU 7.18232
119 3T0W DIW 7.31707
120 3M89 GSP 7.49415
121 4G86 BNT 7.74648
122 6BVK EAV 7.78443
123 6BVM EBV 7.78443
124 6BVI EC4 7.78443
125 2F6U CIT 7.96703
126 2WLT ASP 8.13253
127 5X2N ALA 8.29493
128 4KAX 4IP 8.69565
129 2YPI PGA 8.90688
130 4Z7X 3CX 9.2437
131 1UJ5 5RP 9.2511
132 3HRD NIO 9.39394
133 6DWI HD4 9.46502
134 5HTX ADP 10.1648
135 5TVA AMP 10.4167
136 6GMN F4E 10.5769
137 5NUL FMN 10.8696
138 1VL1 CIT 10.989
139 1YBH P22 10.989
140 3S5W NAP 11.2637
141 2JAC GSH 11.8182
142 1M0S CIT 12.7854
143 5EIB GTP 12.9121
144 5EYP GDP 12.9121
145 5ITZ GDP 12.9121
146 5LXT GTP 12.9121
147 5LXT GDP 12.9121
148 5EYP GTP 12.9121
149 5ITZ GTP 12.9121
150 5LXT 7AK 12.9121
151 1C4Q GLA GAL BGC 13.0435
152 3CB2 GDP 13.7363
153 4EXO PYR 14.3836
154 2BTO GTP 14.5604
155 3RYC GTP 15.1099
156 3RYC GDP 15.1099
157 4LNU GTP 15.1099
158 4LNU GDP 15.1099
159 1O94 ADP 15.6593
160 3ZBQ GDP 16.2088
161 6FX2 FUC C4W NAG BMA MAN NAG GAL 16.2791
162 2G50 PYR 17.3077
163 3CM2 X23 19.2308
164 4EI7 GDP 19.5055
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