Receptor
PDB id Resolution Class Description Source Keywords
6AU6 1.7 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF GDP-BOUND HUMAN GNAS R201C MUTANT HOMO SAPIENS G PROTEIN GDP ACTIVE CONFORMATION SIGNALING PROTEIN
Ref.: DISEASE-CAUSING MUTATIONS IN THE G PROTEIN G ALPHA THE ROLES OF GDP AND GTP. CELL V. 173 1254 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:403;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:402;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
GDP A:401;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
GOL A:405;
A:404;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AU6 1.7 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF GDP-BOUND HUMAN GNAS R201C MUTANT HOMO SAPIENS G PROTEIN GDP ACTIVE CONFORMATION SIGNALING PROTEIN
Ref.: DISEASE-CAUSING MUTATIONS IN THE G PROTEIN G ALPHA THE ROLES OF GDP AND GTP. CELL V. 173 1254 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1AZT - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
2 6AU6 - 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 44 families.
1 1AZT - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
2 6AU6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GFI - ALF GDP n/a n/a
2 4N0E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4PAM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1AS0 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 1GDD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 4PAO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
7 1BOF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4N0D - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
9 1SVS Kd = 2.3 nM GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1SVK Kd = 1.1 nM ALF GDP n/a n/a
11 1GIL - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
12 3FFA Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 1CIP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1GIA - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
15 1AS3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 4PAN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 4PAQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
18 1TAG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
19 1TND - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
20 1TAD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1AZT - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
22 6AU6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 1BH2 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
24 2XTZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
25 1ZCB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
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 : 6AU6; Ligand: GDP; Similar sites found with APoc: 88
This union binding pocket(no: 1) in the query (biounit: 6au6.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4RD0 GDP 1.59151
2 4B47 GDP 1.65289
3 3MD0 GDP 2.25352
4 3TK1 GDP 2.42424
5 1MKY GDP 2.91777
6 5H7J GCP 2.91777
7 2C77 GNP 2.91777
8 2C78 GNP 2.91777
9 5M04 GDP 3.05556
10 1KK1 GNP 3.18302
11 1Z0F GDP 3.35196
12 5W76 GDP 3.63636
13 1RYH GNP 3.94089
14 4R98 GNH 4.05904
15 2WIC GNP 4.11985
16 4DKX GDP 4.16667
17 1YRB GDP 4.19847
18 5W7Q GDP 4.28954
19 1SKQ GDP 4.50928
20 5H7K GDP 5.03979
21 1Z0A GDP 5.17241
22 2WJG GDP 5.85106
23 3CNL GNP 6.10687
24 5O74 GDP 6.11111
25 2CJW GDP 6.25
26 2WJH GDP 6.62651
27 4J0Q GDP 7.1618
28 1S8F GDP 7.9096
29 2HT6 GDP 8.04598
30 5TB5 GDP 8.10811
31 3GJ0 GDP 8.1448
32 3Q72 GNP 8.43373
33 5BXQ GDP 8.66142
34 6G14 G4P 8.84354
35 5FG3 GDP 9.01857
36 3GJ8 GDP 9.04977
37 3GJ5 GDP 9.04977
38 3GJ7 GDP 9.04977
39 3GJ4 GDP 9.04977
40 5YT0 GDP 9.34066
41 3CH5 GDP 9.61539
42 3WYA GDP 9.67742
43 1VG1 GDP 10.8108
44 5GOE GDP 11.1406
45 4P3Y GDP 11.1675
46 3U6B GDP 11.1675
47 5JBQ GDP 11.1675
48 4G5G GDP 11.1675
49 3U6K GDP 11.1675
50 1D8T GDP 11.1959
51 2BVN GNP 11.1959
52 5W75 GDP 12.2016
53 2RCN GDP 12.2905
54 2HCJ GDP 13.1343
55 2WMO GTP 14.2105
56 2QN6 GDP 15.0538
57 3GJ3 GDP 15.1515
58 1F6B GDP 17.6768
59 4M9Q GNP 18.9427
60 3T1O GDP 19.1919
61 3T12 GDP ALF 19.1919
62 3DOE GTP 20.3125
63 4ZI2 GNP 20.5263
64 4GOJ GNP 20.6349
65 1YZG GDP 20.6704
66 1KSH GDP 20.9677
67 4BAS GNP 21.1055
68 1ZJ6 G3D 21.3904
69 1FZQ GDP 21.547
70 5DI3 GNP 21.6216
71 1UPT GTP 21.6374
72 2J59 GTP 21.6867
73 1O3Y GTP 21.6867
74 3AQ4 GDP 21.7391
75 2A5F GTP 22.2857
76 4KAX GTP 22.4852
77 4YLG GDP 22.5434
78 1S9D GDP 22.561
79 1RE0 GDP 22.561
80 1MR3 G3D 22.6519
81 5EE5 GTP 22.807
82 2W83 GTP 23.0303
83 3Q85 GNP 23.0769
84 3PCR GTP 23.4568
85 3N5C GDP 24.0741
86 1R4A GNP 24.2424
87 1J2J GTP 28.8889
88 3WY9 GDP 31.25
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