Receptor
PDB id Resolution Class Description Source Keywords
4KVA 2.14 Å NON-ENZYME: OTHER GTPASE DOMAIN OF SEPTIN 10 FROM SCHISTOSOMA MANSONI IN COMPL GTP SCHISTOSOMA MANSONI SMALL GTPASE CYTOSKELETON COMPONENT HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A SCHISTOSOMA MANSONI SEPTIN R THE PHENOMENON OF STRAND SLIPPAGE IN SEPTINS DEPEND THE NATURE OF THE BOUND NUCLEOTIDE. J.BIOL.CHEM. V. 289 7799 2014
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;
Kd = 0.000115 M
523.18 C10 H16 N5 O14 P3 c1nc2...
MG A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KVA 2.14 Å NON-ENZYME: OTHER GTPASE DOMAIN OF SEPTIN 10 FROM SCHISTOSOMA MANSONI IN COMPL GTP SCHISTOSOMA MANSONI SMALL GTPASE CYTOSKELETON COMPONENT HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A SCHISTOSOMA MANSONI SEPTIN R THE PHENOMENON OF STRAND SLIPPAGE IN SEPTINS DEPEND THE NATURE OF THE BOUND NUCLEOTIDE. J.BIOL.CHEM. V. 289 7799 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4KVA Kd = 0.000115 M GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 4KV9 Kd = 0.000146 M GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4KVA Kd = 0.000115 M GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 4KV9 Kd = 0.000146 M GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4KVA Kd = 0.000115 M GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 4KV9 Kd = 0.000146 M GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
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 : 4KVA; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4kva.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KVA; Ligand: GTP; Similar sites found: 76
This union binding pocket(no: 2) in the query (biounit: 4kva.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DPY ADP 0.000395 0.52151 2.18447
2 2ZFI ADP 0.00008608 0.54309 3.00546
3 3Q72 GNP 0.000000163 0.40182 3.01205
4 3T1O GDP 0.000002397 0.40069 3.0303
5 2NCD ADP 0.000007883 0.61906 3.8835
6 1PUJ GNP 0.000000433 0.4221 3.90071
7 1SKQ GDP 0.000001552 0.40158 4.12621
8 1GOJ ADP 0.0000003384 0.70699 4.22535
9 1CS4 GSP 0.002092 0.42615 4.31472
10 1TQ4 GDP 0.00002385 0.53422 4.85437
11 2WIC GNP 0.0000006109 0.40525 5.61798
12 2WJG GDP 0.000001033 0.64248 5.85106
13 1GWN GTP 0.00001207 0.40273 5.85366
14 3GJ8 GDP 0.000007826 0.58922 5.88235
15 1M7B GTP 0.000008624 0.55436 6.52174
16 4NON GDP 0.0001183 0.40215 6.53846
17 1MKY GDP 0.0000002675 0.40777 6.5534
18 5UWJ GNP 0.0003134 0.46342 6.99301
19 5UWQ GNP 0.0003315 0.4624 6.99301
20 1ZC3 GNP 0.00004881 0.40976 7.42857
21 2GCN GDP 0.00001089 0.40676 7.46269
22 2GCO GNP 0.000002493 0.40618 7.46269
23 2WKQ GTP 0.00004767 0.51072 7.53012
24 4V0K GDP 0.00004476 0.40389 7.69231
25 1U8Z GDP 0.00001907 0.40906 7.7381
26 4LPS GDP 0.00000003415 0.43231 7.85124
27 4BQS ADP 0.00006234 0.55034 7.95455
28 2HF9 GSP 0.00005177 0.52955 7.9646
29 1ZJ6 G3D 0.000001368 0.40457 8.02139
30 4D0N GDP 0.0000003032 0.40345 8.10811
31 1KMQ GNP 0.00001694 0.40645 8.15217
32 5HPY GDP 0.000002765 0.40554 8.18966
33 1TX4 ALF GDP 0.00001552 0.40722 8.47458
34 2W2X GSP 0.00000912 0.40391 8.64865
35 1VG8 GNP 0.00007844 0.40439 8.69565
36 2C04 GCP 0.00306 0.44551 8.75421
37 1YVD GNP 0.00003448 0.41036 8.87574
38 1D5C GDP 0.00000889 0.40013 9.25926
39 1YZG GDP 0.0000014 0.40458 9.49721
40 5KUT GDP 0.0000004506 0.41471 9.52381
41 2F9L GDP 0.00001245 0.41182 9.54774
42 1VG1 GDP 0.000001326 0.40313 9.72973
43 1VG9 GDP 0.000001497 0.40085 9.72973
44 1S8F GDP 0.00005846 0.41269 10.1695
45 2CJW GDP 0.0000003829 0.40939 10.4167
46 1OIX GDP 0.00004643 0.40659 11.5183
47 1OIV GDP 0.00005254 0.4065 11.5183
48 1TU3 GNP 0.00003731 0.4082 11.6959
49 1R2Q GNP 0.0000787 0.43053 11.7647
50 3MJH GTP 0.00002204 0.41412 11.9048
51 1G4U GDP 0.000007763 0.4048 13.0435
52 4C4P GNP 0.00005349 0.40857 13.0841
53 2A5F GTP 0.00004858 0.40476 13.1429
54 1HE1 GDP 0.00001974 0.53796 13.6364
55 1R4A GNP 0.00003775 0.40769 13.7255
56 1CXZ GSP 0.000008061 0.41 13.9535
57 1OW3 GDP 0.000002177 0.40708 14.5078
58 1Z2A GDP 0.00008395 0.49993 15.4762
59 2BCG GDP 0.000005929 0.407 15.534
60 3Q85 GNP 0.0000005927 0.40149 15.9763
61 3RWO GDP 0.00004158 0.40757 16.7568
62 1Z0J GTP 0.00002706 0.41654 16.9492
63 4HI0 GDP 0.00001169 0.41302 17.7165
64 3RAB GNP 0.00006314 0.40222 17.7515
65 2A5J GDP 0.000001251 0.40663 18.8482
66 1YZN GNP 0.00007282 0.40495 18.9189
67 1Z0F GDP 0.0000011 0.40333 18.9944
68 3BC1 GNP 0.00005773 0.40407 20.339
69 3QBT GNP 0.00006695 0.49546 21.8391
70 1Z0A GDP 0.000001521 0.4062 21.8391
71 3T12 GDP ALF 0.00002419 0.40173 23.5294
72 2D7C GTP 0.00002609 0.4124 26.1905
73 4K81 GTP 0.00005424 0.4129 26.3158
74 1CLU DBG 0.0005825 0.42086 27.1084
75 3KUD GDP 0.00001509 0.4006 27.1084
76 2HV8 GTP 0.00004581 0.40674 31.25
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