Receptor
PDB id Resolution Class Description Source Keywords
2WJH 2.1 Å NON-ENZYME: TRANSPORT STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII METAL TRANSPORT MEMBRANE G-PROTEINS FERROUS IRON TRANSPORT CELL MEMBRANE ION TRANSPORT TRANSMEMBRANE NUCLEOTIDE BINDING MOTIFS IRON GNBPS MEMBRANE TRANSPORT GTP-BINDING IRON TRANSPORT X-RAY STRUCTURE 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
FLC B:200;
Valid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
GDP A:200;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:1167;
A:1168;
B:1167;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WJH 2.1 Å NON-ENZYME: TRANSPORT STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII METAL TRANSPORT MEMBRANE G-PROTEINS FERROUS IRON TRANSPORT CELL MEMBRANE ION TRANSPORT TRANSMEMBRANE NUCLEOTIDE BINDING MOTIFS IRON GNBPS MEMBRANE TRANSPORT GTP-BINDING IRON TRANSPORT X-RAY STRUCTURE NUCLEOTIDE-BINDING
Ref.: STRUCTURE AND FUNCTION OF THE FEOB G-DOMAIN FROM METHANOCOCCUS JANNASCHII J.MOL.BIOL. V. 392 405 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 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[....
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: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Ligand no: 2; 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 : 2WJH; Ligand: FLC; 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: 2wjh.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WJH; Ligand: GDP; Similar sites found with APoc: 60
This union binding pocket(no: 2) in the query (biounit: 2wjh.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6AU6 GDP 6.62651
2 1TAD GDP 7.22892
3 1TAD ALF 7.22892
4 3MD0 GDP 7.83133
5 4LC1 GDP 8.43373
6 2QN6 GDP 9.03614
7 1KK1 GNP 9.03614
8 5UWU GNP 9.03614
9 4HAT GNP 9.03614
10 5UWO GNP 9.03614
11 5UWQ GNP 9.03614
12 3GJ0 GDP 9.03614
13 3GJ3 GDP 9.09091
14 6CRK GDP 9.63855
15 3GJ7 GDP 9.63855
16 3GJ4 GDP 9.63855
17 3Q85 GNP 10.8434
18 4DKX GDP 10.8434
19 1G7C 5GP 10.8434
20 5YT0 GDP 11.4458
21 5FG3 GDP 11.4458
22 3T1O GDP 11.4458
23 1G7S GDP 13.253
24 1YRB GDP 14.4578
25 1DAR GDP 17.4699
26 3CNL GNP 19.2771
27 6G14 G4P 19.8795
28 4DCT GDP 21.0843
29 3VMF GTP 22.2892
30 5H7J GCP 22.8916
31 5H7K GDP 22.8916
32 1SKQ GDP 23.494
33 1FZQ GDP 24.6988
34 3EC1 GDP 24.6988
35 1PUJ GNP 28.9157
36 1D2E GDP 28.9157
37 4J0Q GDP 29.5181
38 3U6B GDP 29.5181
39 4P3Y GDP 29.5181
40 3WY9 GDP 29.5181
41 3WYA GDP 29.5181
42 5JBQ GDP 29.5181
43 3U6K GDP 29.5181
44 4G5G GDP 29.5181
45 1D8T GDP 29.5181
46 5W75 GDP 29.5181
47 2BVN GNP 29.5181
48 5W7Q GDP 30.1205
49 5W76 GDP 31.3253
50 3N5C GDP 31.4815
51 3DOE GTP 34.3373
52 3AQ4 GDP 34.3373
53 2HCJ GDP 35.1351
54 1MKY GDP 35.5422
55 2HT6 GDP 42.1687
56 3Q72 GNP 42.7711
57 2CJW GDP 42.7711
58 4B47 GDP 43.9759
59 5M04 GDP 43.9759
60 2RCN GDP 48.7952
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