Receptor
PDB id Resolution Class Description Source Keywords
3U7Q 1 Å EC: 1.18.6.1 A. VINELANDII NITROGENASE MOFE PROTEIN AT ATOMIC RESOLUTION AZOTOBACTER VINELANDII MULTIPLE ROSSMANN FOLD DOMAINS REDUCTASE NITROGEN FIXING OXIDOREDUCTASE
Ref.: EVIDENCE FOR INTERSTITIAL CARBON IN NITROGENASE FEM COFACTOR. SCIENCE V. 334 940 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1CL B:6498;
D:7498;
Invalid;
Invalid;
none;
none;
submit data
671.215 Fe8 S7 [S]12...
CA B:6492;
B:7492;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
CLF B:6499;
D:7499;
Part of Protein;
Part of Protein;
none;
none;
submit data
671.215 Fe8 S7 [S]12...
HCA A:6494;
C:7494;
Valid;
Valid;
none;
none;
submit data
206.15 C7 H10 O7 C(C[C...
ICS A:6496;
C:7496;
Invalid;
Invalid;
none;
none;
submit data
787.451 C Fe7 Mo S9 C1234...
IMD A:493;
A:494;
B:524;
B:525;
C:493;
C:494;
D:524;
D:525;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
69.085 C3 H5 N2 c1c[n...
MG B:526;
D:526;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3U7Q 1 Å EC: 1.18.6.1 A. VINELANDII NITROGENASE MOFE PROTEIN AT ATOMIC RESOLUTION AZOTOBACTER VINELANDII MULTIPLE ROSSMANN FOLD DOMAINS REDUCTASE NITROGEN FIXING OXIDOREDUCTASE
Ref.: EVIDENCE FOR INTERSTITIAL CARBON IN NITROGENASE FEM COFACTOR. SCIENCE V. 334 940 2011
Members (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4ND8 - HCA C7 H10 O7 C(C[C@@](C....
2 2MIN - HCA C7 H10 O7 C(C[C@@](C....
3 5BVG - HCA C7 H10 O7 C(C[C@@](C....
4 6O7Q - HCA C7 H10 O7 C(C[C@@](C....
5 5VQ4 - HCA C7 H10 O7 C(C[C@@](C....
6 6OP4 - HCA C7 H10 O7 C(C[C@@](C....
7 6BBL - HCA C7 H10 O7 C(C[C@@](C....
8 3MIN - HCA C7 H10 O7 C(C[C@@](C....
9 5BVH - HCA C7 H10 O7 C(C[C@@](C....
10 6OP1 - HCA C7 H10 O7 C(C[C@@](C....
11 6OP3 - HCA C7 H10 O7 C(C[C@@](C....
12 4XPI - HCA C7 H10 O7 C(C[C@@](C....
13 6O7O - HCA C7 H10 O7 C(C[C@@](C....
14 6O7P - HCA C7 H10 O7 C(C[C@@](C....
15 3U7Q - HCA C7 H10 O7 C(C[C@@](C....
16 6OP2 - HCA C7 H10 O7 C(C[C@@](C....
17 6O7R - HCA C7 H10 O7 C(C[C@@](C....
18 6O7M - HCA C7 H10 O7 C(C[C@@](C....
19 1FP4 - HCA C7 H10 O7 C(C[C@@](C....
20 6O7L - HCA C7 H10 O7 C(C[C@@](C....
21 5CX1 - HCA C7 H10 O7 C(C[C@@](C....
22 6O7S - HCA C7 H10 O7 C(C[C@@](C....
23 3K1A - HCA C7 H10 O7 C(C[C@@](C....
24 4WNA - HCA C7 H10 O7 C(C[C@@](C....
25 6O7N - HCA C7 H10 O7 C(C[C@@](C....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QGU - HCA C7 H10 O7 C(C[C@@](C....
2 1QH1 - HCA C7 H10 O7 C(C[C@@](C....
3 1QH8 - HCA C7 H10 O7 C(C[C@@](C....
4 4ND8 - HCA C7 H10 O7 C(C[C@@](C....
5 2MIN - HCA C7 H10 O7 C(C[C@@](C....
6 5BVG - HCA C7 H10 O7 C(C[C@@](C....
7 6O7Q - HCA C7 H10 O7 C(C[C@@](C....
8 5VQ4 - HCA C7 H10 O7 C(C[C@@](C....
9 6OP4 - HCA C7 H10 O7 C(C[C@@](C....
10 6BBL - HCA C7 H10 O7 C(C[C@@](C....
11 3MIN - HCA C7 H10 O7 C(C[C@@](C....
12 5BVH - HCA C7 H10 O7 C(C[C@@](C....
13 6OP1 - HCA C7 H10 O7 C(C[C@@](C....
14 6OP3 - HCA C7 H10 O7 C(C[C@@](C....
15 4XPI - HCA C7 H10 O7 C(C[C@@](C....
16 6O7O - HCA C7 H10 O7 C(C[C@@](C....
17 6O7P - HCA C7 H10 O7 C(C[C@@](C....
18 3U7Q - HCA C7 H10 O7 C(C[C@@](C....
19 6OP2 - HCA C7 H10 O7 C(C[C@@](C....
20 6O7R - HCA C7 H10 O7 C(C[C@@](C....
21 6O7M - HCA C7 H10 O7 C(C[C@@](C....
22 1FP4 - HCA C7 H10 O7 C(C[C@@](C....
23 6O7L - HCA C7 H10 O7 C(C[C@@](C....
24 5CX1 - HCA C7 H10 O7 C(C[C@@](C....
25 6O7S - HCA C7 H10 O7 C(C[C@@](C....
26 3K1A - HCA C7 H10 O7 C(C[C@@](C....
27 4WNA - HCA C7 H10 O7 C(C[C@@](C....
28 6O7N - HCA C7 H10 O7 C(C[C@@](C....
29 5KOH - HCA C7 H10 O7 C(C[C@@](C....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1QGU - HCA C7 H10 O7 C(C[C@@](C....
2 1QH1 - HCA C7 H10 O7 C(C[C@@](C....
3 1QH8 - HCA C7 H10 O7 C(C[C@@](C....
4 4ND8 - HCA C7 H10 O7 C(C[C@@](C....
5 2MIN - HCA C7 H10 O7 C(C[C@@](C....
6 5BVG - HCA C7 H10 O7 C(C[C@@](C....
7 6O7Q - HCA C7 H10 O7 C(C[C@@](C....
8 5VQ4 - HCA C7 H10 O7 C(C[C@@](C....
9 6OP4 - HCA C7 H10 O7 C(C[C@@](C....
10 6BBL - HCA C7 H10 O7 C(C[C@@](C....
11 3MIN - HCA C7 H10 O7 C(C[C@@](C....
12 5BVH - HCA C7 H10 O7 C(C[C@@](C....
13 6OP1 - HCA C7 H10 O7 C(C[C@@](C....
14 6OP3 - HCA C7 H10 O7 C(C[C@@](C....
15 4XPI - HCA C7 H10 O7 C(C[C@@](C....
16 6O7O - HCA C7 H10 O7 C(C[C@@](C....
17 6O7P - HCA C7 H10 O7 C(C[C@@](C....
18 3U7Q - HCA C7 H10 O7 C(C[C@@](C....
19 6OP2 - HCA C7 H10 O7 C(C[C@@](C....
20 6O7R - HCA C7 H10 O7 C(C[C@@](C....
21 6O7M - HCA C7 H10 O7 C(C[C@@](C....
22 1FP4 - HCA C7 H10 O7 C(C[C@@](C....
23 6O7L - HCA C7 H10 O7 C(C[C@@](C....
24 5CX1 - HCA C7 H10 O7 C(C[C@@](C....
25 6O7S - HCA C7 H10 O7 C(C[C@@](C....
26 3K1A - HCA C7 H10 O7 C(C[C@@](C....
27 4WNA - HCA C7 H10 O7 C(C[C@@](C....
28 6O7N - HCA C7 H10 O7 C(C[C@@](C....
29 5VQ3 - HCA C7 H10 O7 C(C[C@@](C....
30 5VPW - HCA C7 H10 O7 C(C[C@@](C....
31 4WES - HCA C7 H10 O7 C(C[C@@](C....
32 4WN9 - HCA C7 H10 O7 C(C[C@@](C....
33 5KOH - HCA C7 H10 O7 C(C[C@@](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HCA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 HCA 1 1
2 CIT 0.576923 0.884615
3 7QD 0.454545 0.92
4 2FT 0.40625 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3U7Q; Ligand: HCA; 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: 3u7q.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3U7Q; Ligand: HCA; 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: 3u7q.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback