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Receptor
PDB id Resolution Class Description Source Keywords
3ZGE 2.49 Å EC: 4.1.1.31 GREATER EFFICIENCY OF PHOTOSYNTHETIC CARBON FIXATION DUE TO SINGLE AMINO ACID SUBSTITUTION FLAVERIA TRINERVIA LYASE C4 PHOTOSYNTHETIC PATHWAY CARBON FIXATION PEP CARBO
Ref.: GREATER EFFICIENCY OF PHOTOSYNTHETIC CARBON FIXATIO SINGLE AMINO ACID SUBSTITUTION NAT.COMMUN. V. 4 1518 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:1967;
B:1967;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
SO4 A:1968;
B:1968;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
EDO A:1969;
B:1969;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZGE 2.49 Å EC: 4.1.1.31 GREATER EFFICIENCY OF PHOTOSYNTHETIC CARBON FIXATION DUE TO SINGLE AMINO ACID SUBSTITUTION FLAVERIA TRINERVIA LYASE C4 PHOTOSYNTHETIC PATHWAY CARBON FIXATION PEP CARBO
Ref.: GREATER EFFICIENCY OF PHOTOSYNTHETIC CARBON FIXATIO SINGLE AMINO ACID SUBSTITUTION NAT.COMMUN. V. 4 1518 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3ZGE - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3ZGE - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
2 3ZGE - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 DAS 1 1
2 ASP 1 1
3 ASN 0.636364 0.793103
4 DSN 0.545455 0.714286
5 ABA 0.545455 0.692308
6 2RA 0.545455 0.689655
7 SER 0.545455 0.714286
8 DBB 0.545455 0.692308
9 CYS 0.521739 0.703704
10 C2N 0.521739 0.666667
11 DCY 0.521739 0.703704
12 SD4 0.5 0.648649
13 GGL 0.481481 0.846154
14 DGL 0.481481 0.846154
15 GLU 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 NVA 0.461538 0.62069
19 HCS 0.461538 0.655172
20 CSO 0.461538 0.6875
21 AS2 0.461538 0.916667
22 LEU 0.461538 0.642857
23 API 0.461538 0.75
24 CSD 0.444444 0.615385
25 CSS 0.444444 0.633333
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZGE; Ligand: ASP; Similar sites found with APoc: 51
This union binding pocket(no: 1) in the query (biounit: 3zge.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1V97 MTE 1.61616
2 4H1V GNP 1.62602
3 4IX4 ADP 1.71429
4 4L9Z OXL 1.76991
5 5O9X G16 1.82149
6 1E2S CSN 2.04499
7 3DNT ATP 2.27273
8 2Z7I 742 2.35294
9 2GDV BGC 2.38095
10 2Q1S NAI 2.38727
11 3NRR UMP 2.52427
12 3NRR D16 2.52427
13 1BH2 GSP 2.53968
14 1TLC DGP 2.64151
15 1TSD UMP 2.64151
16 1F4G TP4 2.65152
17 1ZPR UMP 2.65152
18 6CDZ UMC 2.6616
19 3LXN MI1 2.83019
20 4WNK 453 2.84281
21 4JDR FAD 2.95359
22 4EUU BX7 3.1348
23 5K53 STE 3.81679
24 5DN9 NAD 3.84615
25 2O7B HC4 4.22265
26 3AKK ADP 4.30769
27 1QIN GIP 4.37158
28 2CJA ATP 4.98084
29 2ZB3 NDP 5.09915
30 2GZM DGL 5.24345
31 1SQK ADP 5.57029
32 1KXP ATP 5.6
33 2A40 ATP 5.6
34 2A42 ATP 5.6
35 3MN9 ATP 5.61497
36 3MN7 ATP 5.61497
37 5ZZB ATP 5.88235
38 2JFZ 003 6.66667
39 1CS4 GSP 7.54717
40 3U3U EAH 7.72532
41 1GP2 GDP 8.4507
42 5ZZA ATP 9.91736
43 3E1T FAD 9.96094
44 3KV8 FAH 10.0719
45 1GOT GDP 10.9589
46 2DJH 3PD UM3 12.1739
47 2PBD ATP 13.9535
48 4IHL 1F5 16.6667
49 2CJ9 SSA 18.1992
50 4B1W ATP 25
51 4EFH ADP 40.9091
Pocket No.: 2; Query (leader) PDB : 3ZGE; Ligand: ASP; 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: 3zge.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZGE; Ligand: ASP; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 3zge.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4RQU NAD 1.6
2 2A8X FAD 1.93966
3 1TDU DUR 2.64151
4 4ISK UMP 2.65152
5 2A9W UMP 2.65152
6 2MBR EPU 4.11765
7 2MBR FAD 4.11765
8 4JNE ATP 4.93421
9 4WB7 ATP 5.4321
10 3MN6 ATP 5.61497
11 4PL8 ATP 6.84932
12 5A8R TP7 6.87161
13 4X7Q 3YR 9.29487
14 2JFN GLU 11.5789
15 4K2G 1OQ 23.5294
16 2A3Z ATP 27.5862
Pocket No.: 4; Query (leader) PDB : 3ZGE; Ligand: ASP; 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: 3zge.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3ZGE; Ligand: ASP; 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: 3zge.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3ZGE; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3zge.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ZGE; Ligand: ASP; 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: 3zge.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3ZGE; Ligand: ASP; 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: 3zge.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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