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Chlorine in PDB 2b01: Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate

Enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate:
3.1.1.4;

Protein crystallography data

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate, PDB code: 2b01 was solved by Y.H.Pan, B.J.Bahnson, M.K.Jain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.08 / 2.20
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.346, 68.346, 67.070, 90.00, 90.00, 120.00
R / Rfree (%) 20.3 / 23.3

Other elements in 2b01:

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate (pdb code 2b01). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate, PDB code: 2b01:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2b01

Go back to Chlorine Binding Sites List in 2b01
Chlorine binding site 1 out of 4 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl133

b:34.3
occ:1.00
 O A:HOH156 3.0 31.6 1.0
OH A:TYR69 3.1 32.8 1.0
O A:GLY30 3.6 35.8 1.0
CE2 A:TYR69 3.6 32.2 1.0
C A:GLY30 3.7 35.4 1.0
CZ A:TYR69 3.7 34.2 1.0
C19 A:TUD137 3.7 38.3 1.0
N A:LEU31 4.0 36.8 1.0
C5 A:TUD137 4.0 38.9 1.0
O A:HOH213 4.1 42.8 1.0
CA A:GLY30 4.2 34.4 1.0
CA A:LEU31 4.3 37.6 1.0
N A:GLY30 4.4 33.8 1.0
C10 A:TUD137 4.4 39.8 1.0
CA A:CA130 4.5 35.9 1.0
C6 A:TUD137 4.6 39.2 1.0
O A:HOH155 4.6 31.6 1.0
C1 A:TUD137 4.6 39.1 1.0
CD2 A:TYR69 4.8 32.4 1.0
CD1 A:LEU31 4.8 39.8 1.0
O A:HOH154 4.9 35.9 1.0
CE1 A:TYR69 4.9 31.6 1.0

Chlorine binding site 2 out of 4 in 2b01

Go back to Chlorine Binding Sites List in 2b01
Chlorine binding site 2 out of 4 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl134

b:61.6
occ:1.00
 O A:HOH138 2.7 38.4 1.0
CA A:CA132 3.0 30.0 0.5
O A:LYS62 3.7 37.8 1.0
CG A:LYS62 4.4 45.0 1.0
C A:LYS62 4.5 38.5 1.0
C A:PHE63 4.6 36.1 1.0
O A:PHE63 4.6 36.3 1.0
N A:LEU64 4.7 35.6 1.0
CB A:LYS62 4.7 42.0 1.0
O A:HOH241 4.8 42.1 1.0
CL A:CL135 4.8 18.9 0.5
CA A:LEU64 4.9 35.5 1.0

Chlorine binding site 3 out of 4 in 2b01

Go back to Chlorine Binding Sites List in 2b01
Chlorine binding site 3 out of 4 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl135

b:18.9
occ:0.50
 CA A:CA132 2.6 30.0 0.5
O A:HOH138 2.8 38.4 1.0
O A:LYS62 3.4 37.8 1.0
O A:HOH146 4.2 24.4 1.0
O A:HOH147 4.2 26.6 1.0
C A:LYS62 4.5 38.5 1.0
OE2 A:GLU71 4.5 30.3 1.0
CA A:PHE63 4.6 36.3 1.0
CL A:CL134 4.8 61.6 1.0

Chlorine binding site 4 out of 4 in 2b01

Go back to Chlorine Binding Sites List in 2b01
Chlorine binding site 4 out of 4 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl136

b:62.1
occ:1.00
 O A:LEU31 2.6 38.3 1.0
O A:HOH235 2.6 41.2 1.0
O A:HOH237 2.7 54.6 1.0
O A:HOH239 2.7 57.4 1.0
O A:HOH236 2.7 46.4 1.0
C A:LEU31 3.7 37.9 1.0
O A:HOH178 4.2 35.6 1.0
N A:LEU31 4.3 36.8 1.0
C A:GLY32 4.3 36.2 1.0
C A:GLY30 4.4 35.4 1.0
N A:GLY33 4.4 36.4 1.0
OD1 A:ASN24 4.5 48.6 1.0
O A:GLY32 4.5 36.6 1.0
O A:HOH196 4.5 34.5 1.0
CA A:LEU31 4.6 37.6 1.0
CA A:GLY32 4.6 36.3 1.0
N A:GLY32 4.6 38.2 1.0
O A:HOH240 4.6 61.4 1.0
O A:GLY30 4.8 35.8 1.0
CA A:GLY30 4.9 34.4 1.0
CA A:GLY33 4.9 35.1 1.0

Reference:

Y.H.Pan, B.J.Bahnson. Structural Basis For Bile Salt Inhibition of Pancreatic Phospholipase A2. J.Mol.Biol. V. 369 439 2007.
ISSN: ISSN 0022-2836
PubMed: 17434532
DOI: 10.1016/J.JMB.2007.03.034
Page generated: Sat Jul 20 05:29:55 2024

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