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Zinc in PDB 1pww: Crystal Structure of Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc.

Protein crystallography data

The structure of Crystal Structure of Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc., PDB code: 1pww was solved by T.Y.Wong, R.Schwarzenbacher, R.C.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.69 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 96.700, 137.400, 98.300, 90.00, 98.00, 90.00
R / Rfree (%) 23.8 / 28.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc. (pdb code 1pww). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc., PDB code: 1pww:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1pww

Go back to Zinc Binding Sites List in 1pww
Zinc binding site 1 out of 2 in the Crystal Structure of Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc.


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 Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn9001

b:45.6
occ:1.00
OE1 A:GLU735 2.1 50.5 1.0
NE2 A:HIS690 2.1 49.0 1.0
NE2 A:HIS686 2.2 34.9 1.0
OE2 A:GLU735 2.6 53.5 1.0
CD A:GLU735 2.6 52.0 1.0
O C:PRO10 2.7 98.8 1.0
CE1 A:HIS686 2.9 36.2 1.0
CE1 A:HIS690 2.9 48.8 1.0
CD2 A:HIS690 3.3 46.9 1.0
CD2 A:HIS686 3.4 35.7 1.0
OH A:TYR728 3.5 58.9 1.0
C C:PRO10 3.8 98.8 1.0
O C:TYR9 3.8 93.6 1.0
C C:TYR9 4.0 93.9 1.0
ND1 A:HIS690 4.1 48.7 1.0
ND1 A:HIS686 4.1 37.2 1.0
CG A:GLU735 4.1 52.6 1.0
CB C:TYR9 4.2 94.2 1.0
CG A:HIS690 4.3 47.4 1.0
CZ A:TYR728 4.4 60.1 1.0
CG A:HIS686 4.4 35.5 1.0
N C:PRO10 4.4 95.6 1.0
CE2 A:TYR728 4.5 59.8 1.0
CA C:PRO10 4.6 99.0 1.0
CA C:TYR9 4.6 93.6 1.0
CA A:GLU735 4.7 53.9 1.0
CB A:ALA738 4.7 48.0 1.0
CB A:GLU735 4.7 53.4 1.0
N C:TYR11 4.7 0.6 1.0
CG C:TYR11 4.8 0.6 1.0
CB C:TYR11 4.8 0.5 1.0
CA C:TYR11 4.9 0.9 1.0
CD C:PRO10 5.0 97.3 1.0

Zinc binding site 2 out of 2 in 1pww

Go back to Zinc Binding Sites List in 1pww
Zinc binding site 2 out of 2 in the Crystal Structure of Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc.


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 Anthrax Lethal Factor Active Site Mutant Protein Complexed with An Optimised Peptide Substrate in the Presence of Zinc. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn9002

b:40.1
occ:1.00
NE2 B:HIS690 2.2 28.5 1.0
OE1 B:GLU735 2.3 49.2 1.0
NE2 B:HIS686 2.3 36.9 1.0
O D:PRO10 2.8 98.5 1.0
OH B:TYR728 2.9 64.8 1.0
CD2 B:HIS690 3.0 32.6 1.0
CD2 B:HIS686 3.2 39.0 1.0
CD B:GLU735 3.2 48.1 1.0
CE1 B:HIS690 3.3 34.5 1.0
OE2 B:GLU735 3.3 46.2 1.0
CE1 B:HIS686 3.4 37.8 1.0
O D:TYR9 3.6 93.6 1.0
C D:TYR9 3.9 94.4 1.0
CB D:TYR9 3.9 94.5 1.0
C D:PRO10 4.0 99.2 1.0
CZ B:TYR728 4.0 64.3 1.0
CG B:HIS690 4.3 34.1 1.0
CE2 B:TYR728 4.3 64.0 1.0
ND1 B:HIS690 4.3 34.8 1.0
CG B:HIS686 4.4 38.2 1.0
N D:PRO10 4.4 97.4 1.0
CB B:ALA738 4.5 39.4 1.0
ND1 B:HIS686 4.5 38.4 1.0
CA D:TYR9 4.5 92.5 1.0
CG B:GLU735 4.6 46.1 1.0
CA D:PRO10 4.8 96.3 1.0
CB D:TYR11 4.8 0.5 1.0
CG D:TYR11 4.9 0.2 1.0
CA B:GLU735 4.9 43.2 1.0
N D:TYR11 5.0 0.5 1.0

Reference:

B.E.Turk, T.Y.Wong, R.Schwarzenbacher, E.T.Jarrell, S.H.Leppla, R.J.Collier, R.C.Liddington, L.C.Cantley. The Structural Basis For Substrate and Inhibitor Selectivity of the Anthrax Lethal Factor. Nat.Struct.Mol.Biol. V. 11 60 2004.
ISSN: ISSN 1545-9993
PubMed: 14718924
DOI: 10.1038/NSMB708
Page generated: Mon Jan 25 16:11:49 2021

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