Zinc in PDB 2fac: Crystal Structure of E. Coli Hexanoyl-Acp

The structure of Crystal Structure of E. Coli Hexanoyl-Acp, PDB code: 2fac was solved by A.Roujeinikova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.76
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.414, 105.045, 27.927, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 24.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of E. Coli Hexanoyl-Acp (pdb code 2fac). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 11 binding sites of Zinc where determined in the Crystal Structure of E. Coli Hexanoyl-Acp, PDB code: 2fac:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


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 E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:32.1 occ:1.00 OD1 B:ASP51 2.2 34.5 1.0 N A:SER1 2.3 21.6 1.0 O A:SER1 2.3 28.4 1.0 O A:HOH515 2.4 35.7 1.0 CG B:ASP51 2.9 32.8 1.0 OD2 B:ASP51 2.9 36.9 1.0 C A:SER1 3.0 27.4 1.0 CA A:SER1 3.2 27.0 1.0 O B:HOH487 4.1 38.9 1.0 N A:THR2 4.2 18.6 1.0 O B:HOH438 4.2 22.5 0.5 CB A:SER1 4.2 25.9 1.0 O B:GLU49 4.3 23.5 1.0 O B:HOH431 4.3 29.0 1.0 CB B:ASP51 4.3 35.9 1.0 CA A:THR2 4.8 14.9 1.0 O A:HOH506 4.8 35.1 1.0 ZN B:ZN410 4.9 97.2 1.0 O B:GLU48 4.9 20.5 1.0

Zinc binding site 2 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


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 E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:26.5 occ:1.00 O A:HOH421 1.9 30.4 1.0 OE1 A:GLU21 2.0 29.1 1.0 CD A:GLU21 2.7 46.5 1.0 OE2 A:GLU21 2.7 50.4 1.0 CE A:LYS18 4.1 28.6 1.0 O A:HOH417 4.1 29.4 1.0 CG A:GLU21 4.1 42.9 1.0 O A:HOH478 4.2 46.1 1.0 CD A:LYS18 4.5 26.4 1.0 CG A:LYS18 4.6 32.6 1.0 N A:LYS18 4.6 23.4 1.0 CB A:GLU21 4.7 32.7 1.0 CA A:VAL17 4.7 21.4 1.0 CB A:VAL17 4.7 23.5 1.0 NZ A:LYS18 4.8 31.4 1.0 O A:HOH467 4.9 44.5 1.0 CG1 A:VAL17 4.9 27.5 1.0 O A:HOH447 4.9 47.2 1.0

Zinc binding site 3 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


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 E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:79.2 occ:1.00 O A:HOH426 2.2 24.6 1.0 O A:HOH424 2.4 45.8 1.0 OD2 A:ASP31 2.4 25.1 1.0 O A:HOH498 2.8 32.4 1.0 O A:HOH479 2.8 47.2 1.0 CG A:ASP31 3.4 26.4 1.0 OD1 A:ASP31 3.6 30.9 1.0 CB A:SER27 4.1 24.4 1.0 O A:ASN25 4.2 23.9 1.0 N A:SER27 4.2 21.6 1.0 CB A:ASP31 4.7 26.5 1.0 O A:HOH512 4.8 42.5 1.0 CA A:SER27 4.8 21.0 1.0 OD1 A:ASN25 4.9 61.9 1.0 CA A:ALA26 5.0 21.2 1.0 C A:ALA26 5.0 21.2 1.0

Zinc binding site 4 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


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 E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:22.8 occ:1.00 OD2 A:ASP35 1.8 15.6 1.0 O A:HOH468 2.0 20.2 1.0 O A:HOH448 2.2 23.4 1.0 CG A:ASP35 2.7 18.4 1.0 OD1 A:ASP35 3.0 18.4 1.0 O A:HOH428 3.3 28.9 1.0 CB A:ASP35 4.1 19.1 1.0 OD1 A:ASP38 4.4 21.1 1.0 OD2 A:ASP38 4.5 24.6 1.0 CB A:LEU37 4.6 16.9 1.0 CG A:ASP38 4.6 24.7 1.0 CD2 A:LEU37 4.9 24.8 1.0

Zinc binding site 5 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


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 E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:22.9 occ:1.00 O A:HOH433 2.0 17.2 1.0 OD1 A:ASP56 2.0 20.9 1.0 O A:HOH492 2.2 26.5 1.0 O A:HOH434 2.3 17.5 1.0 CG A:ASP56 3.1 25.4 1.0 OD2 A:ASP56 3.5 27.2 1.0 O A:HOH470 3.6 36.8 1.0 O A:HOH461 3.9 25.2 1.0 OE2 A:GLU47 4.1 16.5 1.0 OE1 A:GLU47 4.2 20.3 1.0 O A:ILE54 4.2 16.5 1.0 O A:HOH435 4.3 22.9 1.0 CB A:ASP56 4.4 22.6 1.0 CG1 A:VAL43 4.4 15.5 1.0 CD A:GLU47 4.6 18.0 1.0 CA A:ASP56 4.6 21.3 1.0 N A:ASP56 4.6 20.5 1.0

Zinc binding site 6 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


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 E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:24.3 occ:1.00 OE1 A:GLU53 2.0 21.5 1.0 OE2 A:GLU53 2.5 16.7 1.0 CD A:GLU53 2.6 17.1 1.0 OE1 A:GLU47 4.0 20.3 1.0 CG A:GLU53 4.1 14.5 1.0 CE A:MET44 4.3 32.0 1.0 O A:HOH429 4.4 16.6 1.0 CD A:GLU47 4.6 18.0 1.0 O A:HOH461 4.8 25.2 1.0

Zinc binding site 7 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn408 b:8.5 occ:0.50 O A:HOH459 1.8 15.1 0.5 O A:HOH458 2.0 9.9 0.5 OXT A:ALA77 2.1 18.4 1.0 O A:HOH460 2.1 21.7 1.0 C A:ALA77 3.1 22.0 1.0 O A:ALA77 3.5 15.8 1.0 O A:HOH485 3.7 28.0 1.0 OE1 A:GLN76 4.3 20.8 1.0 CA A:ALA77 4.4 22.4 1.0 N A:ALA77 4.6 20.1 1.0 CG A:GLN76 4.6 18.9 1.0 OD2 A:ASP51 4.6 26.9 1.0 CD A:GLN76 4.8 23.5 1.0 CB A:ASP51 4.8 22.9 1.0

Zinc binding site 8 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn407 b:37.3 occ:1.00 OE2 A:GLU48 2.3 49.2 1.0 OE2 B:GLU5 2.3 31.4 1.0 O A:HOH453 2.3 26.2 1.0 OE1 B:GLU5 2.8 24.4 1.0 CD B:GLU5 2.9 30.3 1.0 CD A:GLU48 3.2 46.9 1.0 OE1 A:GLU48 3.5 55.0 1.0 O A:HOH432 3.9 25.4 1.0 O A:HOH501 4.1 32.7 1.0 O A:HOH469 4.3 29.8 1.0 CG B:GLU5 4.4 16.2 1.0 CB B:SER1 4.5 29.1 1.0 CG A:GLU48 4.6 36.0 1.0 CA B:SER1 4.6 24.3 1.0 O B:HOH448 4.8 33.9 1.0 O A:GLU48 5.0 19.7 1.0

Zinc binding site 9 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn409 b:32.4 occ:1.00 O B:HOH482 2.0 31.1 1.0 OD1 B:ASP56 2.1 29.7 1.0 O B:HOH449 2.2 37.5 1.0 O B:HOH450 2.3 28.7 1.0 O B:HOH475 2.5 31.7 1.0 CG B:ASP56 3.2 26.7 1.0 OD2 B:ASP56 3.5 24.6 1.0 O B:ILE54 4.1 19.5 1.0 O B:HOH498 4.2 38.8 1.0 O B:HOH451 4.2 34.5 1.0 O B:HOH453 4.3 30.9 1.0 CG1 B:VAL43 4.4 15.3 1.0 CB B:ASP56 4.4 24.6 1.0 OE2 B:GLU47 4.5 24.6 1.0 OE1 B:GLU47 4.5 26.7 1.0 N B:ASP56 4.6 19.4 1.0 CA B:ASP56 4.6 20.7 1.0 CD B:GLU47 4.9 24.1 1.0

Zinc binding site 10 out of 11 in the Crystal Structure of E. Coli Hexanoyl-Acp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of E. Coli Hexanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn410 b:97.2 occ:1.00 O B:HOH431 2.0 29.0 1.0 O B:HOH439 2.4 42.7 1.0 O B:HOH432 2.5 40.5 1.0 OD2 B:ASP51 2.6 36.9 1.0 O B:HOH488 2.6 30.3 1.0 CG B:ASP51 3.5 32.8 1.0 O B:HOH440 3.9 47.1 1.0 CB B:ASP51 3.9 35.9 1.0 O B:GLU48 4.0 20.5 1.0 CA B:ASP51 4.0 28.6 1.0 OE1 B:GLU48 4.4 21.9 1.0 N A:SER1 4.4 21.6 1.0 OD1 B:ASP51 4.5 34.5 1.0 N B:ASP51 4.6 20.8 1.0 O B:GLU47 4.8 20.9 1.0 O B:HOH512 4.8 41.7 1.0 ZN A:ZN401 4.9 32.1 1.0 C B:GLU48 4.9 22.2 1.0

A.Roujeinikova, W.J.Simon, J.Gilroy, D.W.Rice, J.B.Rafferty, A.R.Slabas. Structural Studies of Fatty Acyl-(Acyl Carrier Protein) Thioesters Reveal A Hydrophobic Binding Cavity That Can Expand to Fit Longer Substrates. J.Mol.Biol. V. 365 135 2007.
ISSN: ISSN 0022-2836
PubMed: 17059829
DOI: 10.1016/J.JMB.2006.09.049