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Receptor
PDB id Resolution Class Description Source Keywords
1FRW 1.75 Å NON-ENZYME: BINDING STRUCTURE OF E. COLI MOBA WITH BOUND GTP AND MANGANESE ESCHERICHIA COLI MOLYBDENUM COFACTOR (MOCO) MOCO BIOSYNTHESIS MOLYBDOPTERINMOLYBDOPTERIN GUANINE DINUCLEOTIDE (MGD) METAL BINDING PRO
Ref.: THE CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI MOBA PROVIDES INSIGHT INTO MOLYBDOPTERIN GUANINE DINUCLE BIOSYNTHESIS. J.BIOL.CHEM. V. 275 40211 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:195;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GTP A:198;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MN A:197;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
ZN A:196;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FRW 1.75 Å NON-ENZYME: BINDING STRUCTURE OF E. COLI MOBA WITH BOUND GTP AND MANGANESE ESCHERICHIA COLI MOLYBDENUM COFACTOR (MOCO) MOCO BIOSYNTHESIS MOLYBDOPTERINMOLYBDOPTERIN GUANINE DINUCLEOTIDE (MGD) METAL BINDING PRO
Ref.: THE CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI MOBA PROVIDES INSIGHT INTO MOLYBDOPTERIN GUANINE DINUCLE BIOSYNTHESIS. J.BIOL.CHEM. V. 275 40211 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1FRW - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1FRW - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1FRW - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
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 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FRW; Ligand: GTP; 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: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FRW; Ligand: GTP; 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: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FRW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FRW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1FRW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1FRW; Ligand: GTP; Similar sites found with APoc: 55
This union binding pocket(no: 6) in the query (biounit: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1EYR CDP 2.57732
2 3JUK UPG 2.57732
3 3AFN NAP 3.09278
4 3RC3 ANP 3.09278
5 4YDS ATP 3.09278
6 1W55 C 3.60825
7 2PA4 UPG 3.60825
8 2J0B UDP 3.60825
9 2BO4 FLC 3.60825
10 5OSW DIU 3.60825
11 2QGI UDP 4.12371
12 3OH3 UAD 4.63918
13 4PPF FLC 4.63918
14 1YP4 ADP 4.63918
15 5VCM UDP 4.63918
16 2ZUV NDG 4.63918
17 5A96 GTP 4.63918
18 1YP4 ADQ 4.63918
19 5XFV FMN 5.15464
20 1WQ1 AF3 5.42169
21 5NNS AKR 5.6701
22 1QGQ UDP 5.6701
23 1UTJ ABN 6.18557
24 3GUZ PAF 6.25
25 2XWL CTP 6.70103
26 1I1E DM2 7.2165
27 2OEG UPG 7.73196
28 2ICY UPG 8.76289
29 4WZH FMN 9.27835
30 1RJW ETF 9.27835
31 1WVC CTP 9.79381
32 3ZF8 GDP 9.79381
33 1LVW TYD 10.8247
34 1H5R THM 10.8247
35 1H5S TMP 10.8247
36 1H5T DAU 10.8247
37 2YQS UD1 11.3402
38 4KQL 1SG 11.3402
39 1IIM TTP 11.3402
40 3MJY FMN 11.3402
41 3MJY IJZ 11.3402
42 2F5Z FAD 11.3402
43 1XKQ NDP 11.3402
44 3K8D CTP 11.8557
45 1FWY UD1 11.8557
46 1HV9 UD1 11.8557
47 1JV1 UD1 12.3711
48 1G6H ADP 13.9175
49 2Y6P CTP 13.9175
50 2YC5 6BC 14.9485
51 5HS2 CTP 16.4948
52 4Y7U 2KH 18.5567
53 4USI AKG 18.8312
54 1I52 CTP 23.1959
55 1H7F C5P 28.3505
Pocket No.: 7; Query (leader) PDB : 1FRW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1FRW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1frw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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