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Potassium in PDB 1qb9: Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex

Enzymatic activity of Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex

All present enzymatic activity of Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex:
3.4.21.4;

Protein crystallography data

The structure of Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex, PDB code: 1qb9 was solved by M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.510, 54.510, 108.710, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 27.8

Other elements in 1qb9:

The structure of Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex (pdb code 1qb9). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex, PDB code: 1qb9:

Potassium binding site 1 out of 1 in 1qb9

Go back to Potassium Binding Sites List in 1qb9
Potassium binding site 1 out of 1 in the Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Bovine Trypsin 7-[[2-[[1-(1-Iminoethyl)Piperidin-4-Yl]Oxy]-9H- Carbozol-9-Yl] Methyl]Naphthalene-2-Carboximidamide (Zk-806450) Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K303

b:39.6
occ:1.00
 OG A:SER183 2.7 19.0 1.0
CB A:SER183 3.3 17.9 1.0
NE2 A:HIS46 3.8 18.1 1.0
C8 A:806300 3.9 33.6 1.0
N A:GLY181 3.9 19.9 1.0
CA A:GLN180 4.0 19.3 1.0
C7 A:806300 4.1 35.9 1.0
CB A:GLN180 4.3 23.2 1.0
O A:HOH457 4.4 32.3 0.8
CD2 A:HIS46 4.4 14.4 1.0
C A:GLN180 4.5 18.9 1.0
CA A:SER183 4.6 13.8 1.0
N A:SER183 4.7 13.7 1.0
CA A:GLY181 4.9 18.0 1.0
C9 A:806300 4.9 30.8 1.0
CE1 A:HIS46 4.9 15.4 1.0
OE1 A:GLN180 5.0 42.5 1.0

Reference:

M.Whitlow, D.O.Arnaiz, B.O.Buckman, D.D.Davey, B.Griedel, W.J.Guilford, S.K.Koovakkat, A.Liang, R.Mohan, G.B.Phillips, M.Seto, K.J.Shaw, W.Xu, Z.Zhao, D.R.Light, M.M.Morrissey. Crystallographic Analysis of Potent and Selective Factor Xa Inhibitors Complexed to Bovine Trypsin. Acta Crystallogr.,Sect.D V. 55 1395 1999.
ISSN: ISSN 0907-4449
PubMed: 10417407
DOI: 10.1107/S0907444999007350
Page generated: Mon Aug 12 05:14:57 2024

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