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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;
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443.201 C10 H15 N5 O11 P2 c1nc2...
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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: GDP; Similar ligands found: 161
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 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
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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