Receptor
PDB id Resolution Class Description Source Keywords
2B8W 2.22 Å EC: 3.-.-.- CRYSTAL-STRUCTURE OF THE N-TERMINAL LARGE GTPASE DOMAIN OF H GUANYLATE BINDING PROTEIN 1 (HGBP1) IN COMPLEX WITH GMP/ALF HOMO SAPIENS PROTEIN- GUANINE NUCLEOTIDE COMPLEX SIGNALING PROTEIN
Ref.: HOW GUANYLATE-BINDING PROTEINS ACHIEVE ASSEMBLY-STI PROCESSIVE CLEAVAGE OF GTP TO GMP. NATURE V. 440 101 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALF 5GP A:594;
B:594;
Valid;
Valid;
none;
none;
submit data
464.181 n/a P(=O)...
MG A:595;
B:595;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B8W 2.22 Å EC: 3.-.-.- CRYSTAL-STRUCTURE OF THE N-TERMINAL LARGE GTPASE DOMAIN OF H GUANYLATE BINDING PROTEIN 1 (HGBP1) IN COMPLEX WITH GMP/ALF HOMO SAPIENS PROTEIN- GUANINE NUCLEOTIDE COMPLEX SIGNALING PROTEIN
Ref.: HOW GUANYLATE-BINDING PROTEINS ACHIEVE ASSEMBLY-STI PROCESSIVE CLEAVAGE OF GTP TO GMP. NATURE V. 440 101 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 2B8W - ALF 5GP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 2B8W - ALF 5GP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1F5N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2B8W - ALF 5GP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALF 5GP; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 ALF 5GP 1 1
2 GDP ALF 0.857143 1
3 ALF GDP 0.857143 1
4 GDP AF3 0.772727 1
5 G 0.753086 0.9
6 5GP 0.753086 0.9
7 GDP 0.729412 0.888889
8 GP3 0.717647 0.86747
9 GP2 0.709302 0.857143
10 GNH 0.701149 0.878049
11 GCP 0.696629 0.86747
12 G2P 0.688889 0.857143
13 GTP 0.685393 0.888889
14 GMV 0.685393 0.890244
15 G G 0.680412 0.890244
16 G1R 0.677778 0.878049
17 GNP 0.67033 0.86747
18 GSP 0.67033 0.847059
19 9GM 0.67033 0.86747
20 GDP 7MG 0.666667 0.879518
21 GAV 0.655914 0.857143
22 GMP 0.6375 0.802469
23 G2R 0.635417 0.857143
24 GPG 0.628866 0.857143
25 YGP 0.61 0.827586
26 A G 0.609091 0.901235
27 KB7 0.608696 0.77907
28 6CK 0.607843 0.903614
29 G3A 0.607843 0.86747
30 GDD 0.60396 0.857143
31 Y9Z 0.60396 0.808989
32 GKE 0.60396 0.857143
33 GDC 0.60396 0.857143
34 U A G G 0.603604 0.901235
35 G5P 0.601942 0.86747
36 GDR 0.598039 0.857143
37 GFB 0.598039 0.857143
38 GTG 0.598039 0.858824
39 G A A A 0.594595 0.890244
40 JB2 0.580952 0.857143
41 GKD 0.580952 0.857143
42 GPD 0.575472 0.827586
43 GDX 0.575472 0.86747
44 GCP G 0.574257 0.8875
45 3GP 0.573034 0.864198
46 G3D 0.56701 0.876543
47 G4P 0.555556 0.876543
48 G1R G1R 0.554622 0.869048
49 PGD O 0.55 0.784946
50 JB3 0.54955 0.847059
51 KBD 0.54902 0.77907
52 FEG 0.544643 0.808989
53 NGD 0.544643 0.879518
54 U2G 0.544643 0.837209
55 G U 0.539823 0.869048
56 ZGP 0.539823 0.8
57 CG2 0.535088 0.837209
58 0O2 0.533981 0.876543
59 2MD 0.530435 0.8
60 G C 0.530435 0.869048
61 CAG 0.529915 0.811111
62 KBJ 0.528302 0.752809
63 2GP 0.521739 0.853659
64 MGD 0.516949 0.8
65 FE9 0.516667 0.755102
66 MD1 0.512397 0.8
67 DBG 0.504065 0.847059
68 PGD 0.5 0.827586
69 TPG 0.491935 0.757895
70 G G G C 0.491803 0.858824
71 G G G RPC 0.491525 0.845238
72 GPX 0.490385 0.841463
73 A G C C 0.487805 0.879518
74 APC G U 0.487603 0.855422
75 DGI 0.484848 0.823529
76 DGP 0.484211 0.833333
77 DG 0.484211 0.833333
78 P2G 0.479167 0.807229
79 DG DG 0.476636 0.837209
80 ADP ALF 0.475248 0.9125
81 ALF ADP 0.475248 0.9125
82 G C C C 0.472441 0.869048
83 GH3 0.471154 0.865854
84 P1G 0.469388 0.797619
85 G4M 0.466165 0.791209
86 BGO 0.466102 0.825581
87 AKW 0.466102 0.818182
88 DGT 0.466019 0.823529
89 A G U 0.462687 0.858824
90 IMP 0.458333 0.875
91 IDP 0.45 0.864198
92 A G U U 0.446043 0.858824
93 GGM 0.442623 0.806818
94 5GP 5GP 0.441176 0.851852
95 G7M 0.438776 0.890244
96 G U34 0.438017 0.858824
97 SGP 0.434343 0.758621
98 GPC 0.432 0.872093
99 C2E 0.431373 0.841463
100 35G 0.431373 0.851852
101 PCG 0.431373 0.851852
102 G1G 0.425197 0.848837
103 ADP MG 0.424242 0.8375
104 R7I 0.419048 0.841463
105 R5I 0.419048 0.841463
106 DC DG 0.408 0.818182
107 ATP MG 0.407767 0.8375
108 ADP PO3 0.407767 0.8375
109 MGP 0.40566 0.879518
110 3PD UM3 0.403226 0.816092
111 6G0 0.401869 0.879518
112 GAP 0.4 0.819277
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2B8W; Ligand: ALF 5GP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2b8w.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2B8W; Ligand: ALF 5GP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2b8w.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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