Zinc in PDB 2fae: Crystal Structure of E. Coli Decanoyl-Acp

The structure of Crystal Structure of E. Coli Decanoyl-Acp, PDB code: 2fae 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 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	47.248, 107.497, 28.041, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.9

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

Zinc binding site 1 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:10.7 occ:1.00 O B:HOH408 2.0 14.4 1.0 OE2 A:GLU5 2.0 4.4 1.0 OE2 B:GLU48 2.0 9.4 1.0 CD A:GLU5 2.7 8.0 1.0 OE1 A:GLU5 2.8 8.3 1.0 CD B:GLU48 2.9 14.8 1.0 OE1 B:GLU48 3.1 11.7 1.0 O B:HOH434 4.0 18.6 1.0 O B:HOH409 4.0 16.5 1.0 CG A:GLU5 4.2 5.0 1.0 CG B:GLU48 4.3 12.7 1.0 CA A:SER1 4.6 12.8 1.0 CB A:SER1 4.7 15.4 1.0

Zinc binding site 2 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:11.0 occ:1.00 O A:HOH416 2.1 13.7 1.0 O A:HOH417 2.1 8.6 1.0 O A:HOH414 2.1 10.7 1.0 OD1 A:ASP56 2.2 12.3 1.0 O A:HOH415 2.2 13.7 1.0 CG A:ASP56 3.2 15.8 1.0 OD2 A:ASP56 3.5 14.4 1.0 O A:HOH418 4.1 10.8 1.0 OE2 A:GLU47 4.2 8.3 1.0 O A:HOH475 4.2 24.0 1.0 OE1 A:GLU47 4.3 7.5 1.0 O A:ILE54 4.3 10.3 1.0 CB A:ASP56 4.5 11.0 1.0 CG1 A:VAL43 4.5 14.1 1.0 CD A:GLU47 4.6 9.0 1.0 CA A:ASP56 4.8 10.4 1.0 N A:ASP56 4.8 8.3 1.0

Zinc binding site 3 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:15.9 occ:1.00 OE1 A:GLU21 2.0 17.7 1.0 O A:HOH429 2.0 18.2 1.0 O A:HOH430 2.0 21.6 1.0 CD A:GLU21 2.8 30.4 1.0 OE2 A:GLU21 3.0 40.1 1.0 O A:HOH428 3.8 17.4 1.0 O A:HOH534 4.2 28.5 1.0 CG A:GLU21 4.2 33.0 1.0 CE A:LYS18 4.3 24.6 1.0 CG A:LYS18 4.5 15.4 1.0 CB A:VAL17 4.6 19.0 1.0 N A:LYS18 4.6 13.6 1.0 CG1 A:VAL17 4.6 11.2 1.0 CD A:LYS18 4.6 17.5 1.0 CA A:VAL17 4.7 13.1 1.0 CB A:GLU21 4.8 26.2 1.0 NZ A:LYS18 5.0 19.9 1.0

Zinc binding site 4 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:18.2 occ:1.00 OD2 A:ASP31 1.9 6.8 1.0 O A:HOH435 2.1 15.7 1.0 O A:HOH434 2.4 16.8 1.0 O A:HOH436 2.5 20.8 1.0 CG A:ASP31 2.9 14.4 1.0 OD1 A:ASP31 3.2 17.6 1.0 OG A:SER27 3.9 19.5 1.0 N A:SER27 4.1 10.1 1.0 O A:ASN25 4.2 9.5 1.0 CB A:ASP31 4.3 8.1 1.0 O A:HOH473 4.3 20.4 1.0 CB A:SER27 4.5 19.7 1.0 OE2 A:GLU30 4.6 53.7 1.0 CA A:ALA26 4.6 8.5 1.0 O A:HOH561 4.6 31.1 1.0 C A:ALA26 4.8 12.2 1.0 C A:ASN25 4.9 7.2 1.0 CA A:SER27 4.9 6.5 1.0

Zinc binding site 5 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:17.0 occ:1.00 OD2 A:ASP35 2.0 12.9 1.0 O A:HOH520 2.0 19.4 1.0 O A:HOH518 2.3 22.5 1.0 CG A:ASP35 2.7 16.8 1.0 OD1 A:ASP35 2.8 8.2 1.0 O A:HOH542 3.6 31.5 1.0 O A:HOH535 3.9 29.0 1.0 O A:HOH517 4.0 19.9 1.0 OD1 A:ASP38 4.1 20.2 1.0 CB A:ASP35 4.1 13.6 1.0 OD2 A:ASP38 4.2 16.5 1.0 CG A:ASP38 4.4 12.6 1.0 CB A:LEU37 4.5 19.3 1.0 CD2 A:LEU37 4.8 17.4 1.0

Zinc binding site 6 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:10.4 occ:0.50 OXT A:ALA77 2.0 7.2 1.0 O A:HOH443 2.1 15.2 0.5 O A:HOH442 2.1 9.3 1.0 O A:HOH486 2.4 21.1 0.5 C A:ALA77 3.0 12.3 1.0 O A:ALA77 3.4 8.4 1.0 O A:HOH441 4.0 13.6 1.0 CA A:ALA77 4.3 12.5 1.0 NE2 A:GLN76 4.4 7.0 1.0 N A:ALA77 4.5 10.9 1.0 CG A:GLN76 4.5 14.5 1.0 OD2 A:ASP51 4.6 14.0 1.0 CD A:GLN76 4.9 8.6 1.0 CB A:ASP51 4.9 10.4 1.0

Zinc binding site 7 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn408 b:18.5 occ:1.00 OD1 B:ASP51 2.1 17.8 1.0 N A:SER1 2.2 12.1 1.0 O A:HOH558 2.3 28.9 1.0 O A:SER1 2.4 15.0 1.0 CG B:ASP51 2.8 20.9 1.0 OD2 B:ASP51 2.9 16.5 1.0 C A:SER1 3.0 18.8 1.0 CA A:SER1 3.1 12.8 1.0 O B:HOH447 4.0 20.4 0.5 O B:HOH433 4.1 30.6 1.0 O B:HOH454 4.1 25.1 1.0 N A:THR2 4.2 12.0 1.0 O B:GLU49 4.2 12.9 1.0 CB B:ASP51 4.3 16.8 1.0 CB A:SER1 4.4 15.4 1.0 O B:HOH409 4.5 16.5 1.0 OG A:SER1 4.5 17.6 1.0 O A:HOH453 4.6 34.3 1.0 O B:HOH410 4.7 3.2 1.0 O A:HOH409 4.7 20.1 1.0 CA A:THR2 4.9 4.0 1.0 O B:GLU48 4.9 13.6 1.0

Zinc binding site 8 out of 8 in the Crystal Structure of E. Coli Decanoyl-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 Decanoyl-Acp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn407 b:16.1 occ:1.00 OE2 B:GLU5 2.0 14.3 1.0 CD B:GLU5 2.7 10.3 1.0 OE1 B:GLU5 2.8 9.6 1.0 O B:HOH419 3.7 14.7 1.0 CG B:GLU5 4.1 14.6 1.0 O A:HOH478 4.3 17.3 1.0 O A:HOH522 4.3 39.5 1.0 O B:HOH436 4.5 26.2 1.0 CG2 B:THR2 4.9 8.9 1.0 CA B:SER1 5.0 8.2 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