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Receptor
PDB id Resolution Class Description Source Keywords
2W1A 2.35 Å EC: 2.5.1.54 NON-COVALENT COMPLEX BETWEEN DAHP SYNTHASE AND CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS WITH BOUND TSA MYCOBACTERIUM TUBERCULOSIS TRANSFERASE-ISOMERASE COMPLEX AROMATIC AMINO ACID BIOSYNTHEMULTI-ENZYME COMPLEX PROTEIN-PROTEIN INTERACTIONS SHIKIMAPATHWAY
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISM MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE PARTNER. EMBO J. V. 28 2128 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CE1 A:1465;
Invalid;
none;
submit data
538.755 C28 H58 O9 CCCCC...
GOL A:1467;
B:1466;
B:1467;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:1463;
B:1465;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PG4 A:1466;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
SO4 A:1464;
B:1463;
B:1464;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TSA C:1091;
D:1091;
Valid;
Valid;
none;
none;
submit data
228.199 C10 H12 O6 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W1A 2.35 Å EC: 2.5.1.54 NON-COVALENT COMPLEX BETWEEN DAHP SYNTHASE AND CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS WITH BOUND TSA MYCOBACTERIUM TUBERCULOSIS TRANSFERASE-ISOMERASE COMPLEX AROMATIC AMINO ACID BIOSYNTHEMULTI-ENZYME COMPLEX PROTEIN-PROTEIN INTERACTIONS SHIKIMAPATHWAY
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISM MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE PARTNER. EMBO J. V. 28 2128 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W1A; Ligand: TSA; Similar sites found with APoc: 35
This union binding pocket(no: 1) in the query (biounit: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4ARE FLC 3.17797
2 2HFP NSI 3.33333
3 4DJA DLZ 3.33333
4 4DJA FAD 3.33333
5 5CDH TLA 3.57143
6 4BNU 9KQ 4.08922
7 3KFC 61X 4.34783
8 3B9Z CO2 4.44444
9 3OGN 3OG 4.83871
10 1N4H REA 5.01931
11 2FP2 TSA 5.55556
12 1BWO LPC 5.55556
13 2GBB CIT 6.41026
14 2J8C U10 6.66667
15 2J8C SPO 6.66667
16 2PW0 TRC 6.66667
17 3KP6 SAL 7.28477
18 5C1M OLC 7.43243
19 1PIG GLC GLC 7.77778
20 2F2H XTG 8.88889
21 1XVB BHL 8.88889
22 5K7K 6RJ 10
23 1G8S MET 11.1111
24 4HA6 FAD 11.1111
25 5OCA 9QZ 11.1111
26 5TDF ADE 12.2222
27 4PTN PYR 13.3333
28 5LOF 70R 14.4444
29 3RET SAL 20
30 3RET PYR 20
31 1OFL ASG GCD 20
32 5DUS APR 31.5476
33 5K1F IMP 32.2222
34 1ECM TSA 35.5556
35 5MZI FYK 41.1111
Pocket No.: 2; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2W1A; Ligand: TSA; Similar sites found with APoc: 7
This union binding pocket(no: 3) in the query (biounit: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2P4Y C03 3.33333
2 1RM0 D6P 6.66667
3 3EYK EYK 6.97674
4 6H8S FSZ 7.97342
5 3BU1 HSM 9.45946
6 2UW1 GVM 13.3333
7 1MID LAP 15.3846
Pocket No.: 4; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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