Receptor
PDB id Resolution Class Description Source Keywords
5A2Z 2.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MTPAP IN COMPLEX WITH GTP GALLUS GALLUS UNKNOWN FUNCTION
Ref.: STRUCTURE OF MITOCHONDRIAL POLY(A) RNA POLYMERASE R THE STRUCTURAL BASIS FOR DIMERIZATION, ATP SELECTIV THE SPAX4 DISEASE PHENOTYPE. NUCLEIC ACIDS RES. V. 43 9065 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:1529;
A:1529;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GTP B:1528;
A:1528;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0.594;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A2Z 2.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MTPAP IN COMPLEX WITH GTP GALLUS GALLUS UNKNOWN FUNCTION
Ref.: STRUCTURE OF MITOCHONDRIAL POLY(A) RNA POLYMERASE R THE STRUCTURAL BASIS FOR DIMERIZATION, ATP SELECTIV THE SPAX4 DISEASE PHENOTYPE. NUCLEIC ACIDS RES. V. 43 9065 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5A2W - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 5A2Z - GTP C10 H16 N5 O14 P3 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 1068 families.
1 5A2W - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 5A2Z - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5A2W - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 5A2Z - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 147
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 GNP 0.809524 0.973684
9 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A2Z; Ligand: GTP; Similar sites found: 40
This union binding pocket(no: 1) in the query (biounit: 5a2z.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S5W FAD 0.03173 0.4065 1.72786
2 5G3U ITW 0.02014 0.42963 1.89125
3 5C1P DAL DAL 0.0272 0.40241 1.96078
4 4X7Y SAH 0.02711 0.42007 2.18978
5 4DSG FAD 0.02387 0.43564 2.68595
6 4DSG UDP 0.02387 0.43564 2.68595
7 5IXJ THR 0.02427 0.41145 2.77778
8 4U03 GTP 0.00004866 0.40384 2.8103
9 4TXI FAD 0.03558 0.40498 2.88288
10 5UAO FAD 0.02775 0.41681 2.95749
11 2V3B FAD 0.03931 0.40773 3.90625
12 2V3A FAD 0.04289 0.40661 3.90625
13 3ER9 3AT 0.003338 0.43566 3.9666
14 1Q79 3AT 0.001258 0.45145 4.0856
15 1O94 ADP 0.0185 0.41098 4.16667
16 1QFY FAD 0.03613 0.40776 4.54545
17 1QFY NAP 0.03613 0.40776 4.54545
18 3B0X DGT 0.008692 0.4085 5.04504
19 1N62 MCN 0.01886 0.42382 5.20833
20 1N62 FAD 0.03123 0.41405 5.20833
21 1AKV FMN 0.02793 0.40038 5.44218
22 1KNY APC 0.001776 0.41673 6.71937
23 2Y6Q FAD 0.007303 0.44108 6.84685
24 3OIX FMN 0.02262 0.40506 7.24638
25 1ZMD NAI 0.02298 0.40756 7.38397
26 3JYY PPV 0.001914 0.44522 7.66551
27 1T3Q FAD 0.04456 0.40479 10.7143
28 4X9M FAD 0.03458 0.41347 11.9617
29 3ZNN 4WL 0.02689 0.43083 12.1037
30 3ZNN FAD 0.02689 0.43083 12.1037
31 2B56 U5P 0.000006722 0.58758 14.1026
32 2B56 UTP 0.000006722 0.58758 14.1026
33 3N39 FMN 0.01141 0.42016 14.3791
34 5I49 2KH 0.00008049 0.5059 17.5781
35 3HIY UTP 0.0000007766 0.60977 17.7083
36 3JZ0 APC 0.003766 0.42846 21.2544
37 3HJ1 UTP 0.000001144 0.60494 24.5478
38 4NKT 2KH 0.00000002976 0.67852 36.9501
39 5W0N 2KH 0.00000000594 0.71654 38.9578
40 2Q0D ATP 0.0000009304 0.63989 41.3598
Pocket No.: 2; Query (leader) PDB : 5A2Z; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5a2z.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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