Receptor
PDB id Resolution Class Description Source Keywords
1W5A 2.4 Å NON-ENZYME: CELL_CYCLE FTSZ DIMER, MGGTP SOAK (M. JANNASCHII) METHANOCALDOCOCCUS JANNASCHII CELL DIVISION CELL DIVISION PROTEIN CELL-DIVISION PROTEIN COMPLETE PROTEOME FTSZ GTP-BINDING MULTIGENE FAMILY SEPTATION TUBULIN FILAMENT Z-RING GTPASE
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
GTP A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG A:501;
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: GTP; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 GNP 0.809524 0.973684
9 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
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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