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Zinc in PDB 3ea1: Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis

Enzymatic activity of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis

All present enzymatic activity of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis:
4.6.1.13;

Protein crystallography data

The structure of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis, PDB code: 3ea1 was solved by X.Shi, C.Shao, X.Zhang, C.Zambonelli, A.G.Redfied, J.F.Head, B.A.Seaton, M.F.Roberts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.643, 97.064, 112.799, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 23

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis (pdb code 3ea1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis, PDB code: 3ea1:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 3ea1

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Zinc binding site 1 out of 6 in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn299

b:23.0
occ:1.00
 OD2 A:ASP224 2.0 22.1 1.0
O A:HOH315 2.1 21.0 1.0
ND1 A:HIS227 2.1 18.1 1.0
O A:HOH635 2.2 19.3 1.0
O A:HOH646 2.2 31.0 1.0
CG A:ASP224 3.0 21.1 1.0
CG A:HIS227 3.1 20.4 1.0
CE1 A:HIS227 3.1 21.1 1.0
CB A:HIS227 3.3 20.0 1.0
OD1 A:ASP224 3.4 21.8 1.0
O A:HOH648 4.0 38.1 1.0
ND2 A:ASN221 4.0 20.9 1.0
CB A:ASN193 4.1 20.7 1.0
OD1 A:ASN193 4.1 23.7 1.0
O A:HOH647 4.2 41.5 1.0
CD2 A:HIS227 4.2 20.1 1.0
NE2 A:HIS227 4.2 20.8 1.0
CB A:ASP224 4.2 22.7 1.0
CG A:ASN193 4.3 21.7 1.0
CA A:HIS227 4.3 18.9 1.0
O A:HOH504 4.6 40.0 1.0
ND2 A:ASN226 4.7 28.5 1.0
N A:HIS227 4.8 20.5 1.0

Zinc binding site 2 out of 6 in 3ea1

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Zinc binding site 2 out of 6 in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn300

b:22.1
occ:1.00
 OE2 A:GLU278 1.9 18.6 1.0
NE2 A:HIS61 2.1 14.2 1.0
CD A:GLU278 2.9 20.5 1.0
CE1 A:HIS61 3.0 13.4 1.0
CD2 A:HIS61 3.2 13.3 1.0
O A:HOH649 3.3 10.1 1.0
CG A:GLU278 3.3 20.5 1.0
OH A:TYR57 3.6 16.9 1.0
O A:HOH372 4.0 23.9 1.0
OE1 A:GLU278 4.0 24.8 1.0
CZ A:TYR57 4.1 15.4 1.0
CE2 A:TYR57 4.2 16.7 1.0
ND1 A:HIS61 4.2 13.0 1.0
CG A:HIS61 4.3 14.2 1.0
CB A:GLU278 4.3 18.4 1.0
O A:HOH467 4.5 21.8 1.0

Zinc binding site 3 out of 6 in 3ea1

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Zinc binding site 3 out of 6 in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:33.5
occ:1.00
 OE2 A:GLU93 2.1 18.1 1.0
O A:HOH636 2.2 16.2 1.0
O A:HOH637 2.4 18.2 1.0
CD A:GLU93 3.1 16.8 1.0
CG A:GLU93 3.4 15.0 1.0
NZ A:LYS38 4.2 13.6 1.0
OE1 A:GLU93 4.3 17.3 1.0
CE A:LYS38 4.3 10.4 1.0
O A:HOH517 4.5 38.5 1.0
CG A:GLU97 4.7 19.1 1.0
O A:HOH429 4.7 24.8 1.0
CZ A:PHE37 4.7 13.9 1.0
CE2 A:PHE37 4.8 13.4 1.0
CB A:GLU93 5.0 13.9 1.0

Zinc binding site 4 out of 6 in 3ea1

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Zinc binding site 4 out of 6 in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:17.2
occ:1.00
 O A:HOH309 2.0 16.9 1.0
OD2 A:ASP74 2.1 17.4 1.0
OD2 A:ASP75 2.1 14.6 1.0
O A:HOH465 2.1 19.6 1.0
CG A:ASP74 2.9 18.1 1.0
CG A:ASP75 3.0 16.8 1.0
OD1 A:ASP74 3.2 20.1 1.0
OD1 A:ASP75 3.3 16.7 1.0
O A:HOH415 3.8 27.0 1.0
O A:HOH312 4.1 13.9 1.0
CB A:ASP74 4.3 15.9 1.0
CB A:ASP75 4.4 17.1 1.0
N A:ASP75 4.4 15.7 1.0
C A:ASP74 4.6 16.2 1.0
CA A:ASP75 4.6 15.4 1.0
O A:ASP74 5.0 15.2 1.0

Zinc binding site 5 out of 6 in 3ea1

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Zinc binding site 5 out of 6 in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn299

b:36.1
occ:1.00
 OE2 B:GLU278 1.8 17.4 1.0
NE2 B:HIS61 2.2 12.0 1.0
CE1 B:HIS61 2.8 13.9 1.0
CD B:GLU278 2.9 17.2 1.0
CD2 B:HIS61 3.4 14.0 1.0
CG B:GLU278 3.4 16.4 1.0
OH B:TYR57 3.5 14.1 1.0
CE2 B:TYR57 3.8 14.0 1.0
CZ B:TYR57 3.9 14.0 1.0
OE1 B:GLU278 4.0 16.6 1.0
ND1 B:HIS61 4.0 13.1 1.0
CG B:HIS61 4.3 12.6 1.0
CB B:GLU278 4.4 13.4 1.0
CD2 B:TYR57 4.8 11.0 1.0

Zinc binding site 6 out of 6 in 3ea1

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Zinc binding site 6 out of 6 in the Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol- Specific Phospholipase C From Bacillus Thuringiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn300

b:29.6
occ:1.00
 OD2 B:ASP224 1.9 30.8 1.0
O B:HOH748 2.1 41.4 1.0
ND1 B:HIS227 2.2 23.5 1.0
O B:HOH749 2.3 30.1 1.0
O B:HOH743 2.3 40.3 1.0
CG B:ASP224 2.9 27.8 1.0
CG B:HIS227 3.1 25.8 1.0
CE1 B:HIS227 3.2 24.1 1.0
OD1 B:ASP224 3.3 28.5 1.0
CB B:HIS227 3.4 24.9 1.0
ND2 B:ASN221 4.1 28.8 1.0
OD1 B:ASN193 4.1 27.8 1.0
CB B:ASN193 4.1 27.3 1.0
CB B:ASP224 4.2 28.9 1.0
CG B:ASN193 4.2 28.6 1.0
CD2 B:HIS227 4.3 24.7 1.0
NE2 B:HIS227 4.3 24.9 1.0
CA B:HIS227 4.4 24.4 1.0
N B:HIS227 4.9 25.1 1.0
ND2 B:ASN193 4.9 28.2 1.0

Reference:

X.Shi, C.Shao, X.Zhang, C.Zambonelli, A.G.Redfield, J.F.Head, B.A.Seaton, M.F.Roberts. Modulation of Bacillus Thuringiensis Phosphatidylinositol-Specific Phospholipase C Activity By Mutations in the Putative Dimerization Interface. J.Biol.Chem. V. 284 15607 2009.
ISSN: ISSN 0021-9258
PubMed: 19369255
DOI: 10.1074/JBC.M901601200
Page generated: Thu Oct 24 12:41:24 2024

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