Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:1355;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
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: GDP; Similar ligands found: 153
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 GNP 0.839506 0.973684
6 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 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: 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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