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Receptor
PDB id Resolution Class Description Source Keywords
2V9M 1.3 Å EC: 4.1.2.19 L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI ( MUTANT A87M-T109F-E192A) ESCHERICHIA COLI ENTROPY INDEX METAL-BINDING OLIGOMERIZATION ZINC LYASE ALDOLASE CLASS II CYTOPLASM CLEAVAGE OF L-RHAMNULOSE-1-PHOSPHATE TO DIHYDROXYACETONEPH BACTERIAL L-RHAMNOSE METABOLISM INTERFACE DESIGN SURFACE MUTATION 2-KETOSE DEGRADATION PROTEIN-PROTEIN INTERFACE RARE SUGAR AGGREGATION ZINC ENZYME FIBRILLATION RHAMNOSE METABOLISM PROTEIN ENGINEERING
Ref.: DESIGNED PROTEIN-PROTEIN ASSOCIATION. SCIENCE V. 319 206 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1276;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CIT A:1278;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
EDO A:1279;
A:1280;
A:1281;
A:1282;
B:1277;
B:1278;
B:1279;
B:1280;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:1275;
A:1277;
B:1275;
B:1276;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V9M 1.3 Å EC: 4.1.2.19 L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI ( MUTANT A87M-T109F-E192A) ESCHERICHIA COLI ENTROPY INDEX METAL-BINDING OLIGOMERIZATION ZINC LYASE ALDOLASE CLASS II CYTOPLASM CLEAVAGE OF L-RHAMNULOSE-1-PHOSPHATE TO DIHYDROXYACETONEPH BACTERIAL L-RHAMNOSE METABOLISM INTERFACE DESIGN SURFACE MUTATION 2-KETOSE DEGRADATION PROTEIN-PROTEIN INTERFACE RARE SUGAR AGGREGATION ZINC ENZYME FIBRILLATION RHAMNOSE METABOLISM PROTEIN ENGINEERING
Ref.: DESIGNED PROTEIN-PROTEIN ASSOCIATION. SCIENCE V. 319 206 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V2A - 13P C3 H7 O6 P C(C(=O)COP....
2 2V9N - CIT C6 H8 O7 C(C(=O)O)C....
3 1OJR - 2HA C3 H6 O3 C(C(=O)CO)....
4 2V9M - CIT C6 H8 O7 C(C(=O)O)C....
5 2UYV - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V2A - 13P C3 H7 O6 P C(C(=O)COP....
2 2V9N - CIT C6 H8 O7 C(C(=O)O)C....
3 1OJR - 2HA C3 H6 O3 C(C(=O)CO)....
4 2V9M - CIT C6 H8 O7 C(C(=O)O)C....
5 2UYV - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V2A - 13P C3 H7 O6 P C(C(=O)COP....
2 2V9N - CIT C6 H8 O7 C(C(=O)O)C....
3 1OJR - 2HA C3 H6 O3 C(C(=O)CO)....
4 2V9M - CIT C6 H8 O7 C(C(=O)O)C....
5 2UYV - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V9M; Ligand: CIT; Similar sites found with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1L6O SER LEU LYS LEU MET THR THR VAL None
2 2YJ0 COA None
3 5IRN ADP 1.45985
4 4U0W 16G 1.62602
5 1JLV GSH 1.91388
6 1PVN MZP 2.18978
7 5W7K SAH 2.24359
8 5F05 GSH 2.35849
9 5HK9 64O 2.55474
10 6COJ F8G 2.91971
11 4CYD CMP 3.11111
12 4P86 5GP 3.27869
13 6C1S EFV 3.28467
14 5ZZA LAB 3.30579
15 4WUJ FMN 3.40136
16 3VPB GLU 3.57143
17 1KGQ SCO 3.64964
18 1KGQ NPI 3.64964
19 1VBI NAD 3.64964
20 4GCZ FMN 3.64964
21 3A2Q ACA ACA 3.64964
22 5H5O PCG 3.87597
23 5XJ8 NKO 3.9801
24 5Z2L NDP 4.08163
25 2FNU PMP UD1 4.37956
26 5WUW NAP 4.74453
27 4QYS PLP SEP 4.75113
28 3L41 LYS PRO SEP GLN GLU LEU 5
29 4R38 RBF 5
30 6CUZ FEV 5.83942
31 4G2R H1L 6.20438
32 5W7D MYR 6.20438
33 3K87 FAD 6.48649
34 3QT6 2P0 6.56934
35 2D5A COA 6.94444
36 3IK7 BOB 7.20721
37 1RM6 PCD 7.45342
38 1Z2I NAD 7.66423
39 5UC1 486 9.00901
40 4ZSI GLP 10.5263
41 1TOI HCI 10.9489
42 2F5X ASP 11.3139
Pocket No.: 2; Query (leader) PDB : 2V9M; Ligand: CIT; 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: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V9M; Ligand: CIT; 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: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V9M; Ligand: CIT; 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: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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