Receptor
PDB id Resolution Class Description Source Keywords
2WJG 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII MEMBRANE G-PROTEINS FERROUS IRON TRANSPORT CELL MEMBRANE ION TRANSPORT TRANSMEMBRANE NUCLEOTIDE BINDING MOTIFS METAL TRANSPORT IRON GNBPS MEMBRANE TRANSPORT GTP-BINDING IRON TRANSPORT NUCLEOTIDE-BINDING
Ref.: STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII. J.MOL.BIOL. V. 392 405 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ALA ALA ALA ALA ALA ALA C:9;
Invalid;
none;
submit data
515.568 n/a O=C([...
GDP A:200;
B:200;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WJG 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII MEMBRANE G-PROTEINS FERROUS IRON TRANSPORT CELL MEMBRANE ION TRANSPORT TRANSMEMBRANE NUCLEOTIDE BINDING MOTIFS METAL TRANSPORT IRON GNBPS MEMBRANE TRANSPORT GTP-BINDING IRON TRANSPORT NUCLEOTIDE-BINDING
Ref.: STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII. J.MOL.BIOL. V. 392 405 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2WJG - 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 175 families.
1 2WJJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2WJH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 2WJI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 2WJG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 2WJJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2WJH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 2WJI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 2WJG - 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 : 2WJG; Ligand: GDP; Similar sites found with APoc: 131
This union binding pocket(no: 1) in the query (biounit: 2wjg.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4BAS GNP 1.59574
2 2FFQ GSP 1.75439
3 1M7B GTP 2.17391
4 2OM2 GDP 4.25532
5 3BC1 GNP 4.25532
6 1TQ4 GDP 5.31915
7 5YT0 GDP 5.85106
8 6AU6 GDP 5.85106
9 1CS4 GSP 5.85106
10 5XKT GNP 5.85106
11 1MR3 G3D 6.07735
12 3CX8 GSP 6.38298
13 1DAR GDP 6.38298
14 1TAD GDP 6.38298
15 1TAD ALF 6.38298
16 1Y3A GDP 6.38298
17 2ZEJ GDP 6.52174
18 3SFV GDP 6.62983
19 5O74 GDP 6.66667
20 3MD0 GDP 6.91489
21 3TK1 GDP 6.91489
22 1ZC3 GNP 7.07965
23 3MJH GTP 7.14286
24 1U8Z GDP 7.14286
25 5XC5 GTP 7.38636
26 4HI0 GDP 7.44681
27 3RAB GNP 7.69231
28 2QN6 GDP 7.97872
29 2XTZ GSP 7.97872
30 3NKV GNP 8
31 1KK1 GNP 8.51064
32 6CRK GDP 8.51064
33 4HAT GNP 8.51064
34 2A9K GDP 8.55615
35 3WYG GTP 8.79121
36 5O2T GSP 8.87574
37 3T1O GDP 10.1064
38 3T12 GDP ALF 10.1064
39 3GJ0 GDP 10.1064
40 3GJ3 GDP 10.1064
41 5FG3 GDP 10.6383
42 5DIF GNP 10.6383
43 5UWP GNP 10.6383
44 5UWU GNP 10.6383
45 6CIT GNP 10.6383
46 5UWH GNP 10.6383
47 5UWI GNP 10.6383
48 5UWT GNP 10.6383
49 5UWW GNP 10.6383
50 5UWS GNP 10.6383
51 5UWQ GNP 10.6383
52 5DHF GNP 10.6383
53 5UWO GNP 10.6383
54 3GJ8 GDP 10.6383
55 5UWR GNP 10.6383
56 3GJ7 GDP 10.6383
57 3GJ4 GDP 10.6383
58 3Q85 GNP 10.6509
59 4DKX GDP 11.1702
60 5LEF GTP 11.1702
61 5WLB GNP 11.4458
62 2C5L GTP 11.5607
63 1G7S GDP 11.7021
64 5E95 GDP 11.9048
65 3KUD GDP 12.0482
66 1UAD GNP 12.1212
67 5OEC GDP 12.234
68 1YRB GDP 12.766
69 3CPJ GDP 12.766
70 2EW1 GNP 12.766
71 4ZKD GDP 13.8298
72 5GOE GDP 14.3617
73 5JCZ GDP 14.3617
74 3RWO GDP 15.1351
75 1G16 GDP 15.2941
76 1WF3 GNP 15.9574
77 3WYF GTP 16.4894
78 3M1I GTP 16.4894
79 2HV8 GTP 16.8605
80 5SZH GNP 16.9935
81 3CNL GNP 17.0213
82 6G14 G4P 17.5532
83 5H7J GCP 18.617
84 5H7K GDP 18.617
85 1GOT GDP 19.1781
86 3VMF GTP 19.6809
87 3WXM GTP 19.6809
88 1SKQ GDP 20.7447
89 3T5G GDP 21.547
90 1BH2 GSP 21.8085
91 1FZQ GDP 22.6519
92 2QTV GNP 22.7545
93 1GP2 GDP 23.9362
94 5KDO GDP 23.9362
95 1D2E GDP 25.5319
96 3WYA GDP 26.0638
97 4J0Q GDP 26.0638
98 3U6B GDP 26.0638
99 3WY9 GDP 26.0638
100 3U6K GDP 26.0638
101 5JBQ GDP 26.0638
102 4G5G GDP 26.0638
103 4P3Y GDP 26.0638
104 1D8T GDP 26.0638
105 5W75 GDP 26.0638
106 2BVN GNP 26.0638
107 5W7Q GDP 26.5957
108 5WDR GNP 26.9006
109 1PUJ GNP 27.1277
110 5W76 GDP 27.6596
111 2C77 GNP 27.6596
112 2C78 GNP 27.6596
113 3DOE GTP 30.3191
114 1KSH GDP 30.6452
115 1MKY GDP 31.383
116 3N5C GDP 31.4815
117 2W83 GTP 31.5152
118 3AQ4 GDP 33.1522
119 4YLG GDP 34.6821
120 2HCJ GDP 35.1351
121 4DCT GDP 36.1702
122 1UPT GTP 38.0117
123 5EE5 GTP 38.5965
124 4B47 GDP 38.8298
125 5M04 GDP 38.8298
126 1CLU DBG 40.3614
127 4V0K GDP 41.4201
128 2CJW GDP 42.0213
129 2HT6 GDP 42.5287
130 2RCN GDP 43.0851
131 3Q72 GNP 45.1807
Pocket No.: 2; Query (leader) PDB : 2WJG; Ligand: GDP; 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: 2wjg.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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