Zinc in PDB 1l0i: Crystal Structure of Butyryl-Acp I62M Mutant

The structure of Crystal Structure of Butyryl-Acp I62M Mutant, PDB code: 1l0i was solved by A.Roujeinikova, C.Baldock, W.J.Simon, J.Gilroy, P.J.Baker, A.R.Stuitje, D.W.Rice, A.R.Slabas, J.B.Rafferty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	27.347, 41.941, 64.533, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.3

The structure of Crystal Structure of Butyryl-Acp I62M Mutant also contains other interesting chemical elements:

Arsenic	(As)	1 atom
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Butyryl-Acp I62M Mutant (pdb code 1l0i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Crystal Structure of Butyryl-Acp I62M Mutant, PDB code: 1l0i:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:13.2 occ:0.48 O1 A:CAC1003 1.8 35.1 0.7 OE2 A:GLU13 1.8 19.5 1.0 O A:HOH2319 2.2 29.1 1.0 CD A:GLU13 2.7 17.7 1.0 OE1 A:GLU13 2.8 25.9 1.0 AS A:CAC1003 3.2 27.6 0.7 CD A:LYS9 3.4 18.1 0.3 C1 A:CAC1003 3.7 42.6 0.7 O A:HOH2159 3.8 28.5 1.0 O A:HOH2078 3.8 30.2 1.0 O2 A:CAC1003 3.8 24.4 0.7 CG A:LYS9 3.9 16.8 0.5 O A:HOH2195 4.0 34.6 1.0 CG A:GLU13 4.1 15.8 1.0 CG A:LYS9 4.2 14.6 0.8 O A:HOH2158 4.2 23.6 1.0 CE A:LYS9 4.5 15.7 0.1 CE A:LYS9 4.7 11.5 0.3 O A:HOH2029 4.8 43.9 1.0 CD A:LYS9 4.9 13.8 0.1 O A:HOH2204 4.9 32.9 1.0

Zinc binding site 2 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1004 b:12.8 occ:1.00 OD2 A:ASP31 2.0 10.4 1.0 O A:HOH2044 2.0 24.6 1.0 O A:HOH2006 2.0 15.5 1.0 O A:HOH2043 2.1 13.1 1.0 CG A:ASP31 2.8 12.8 1.0 OD1 A:ASP31 2.9 23.2 1.0 O A:HOH2013 3.9 33.0 1.0 N A:SER27 4.2 9.3 1.0 CB A:ASP31 4.2 12.1 1.0 CB A:SER27 4.3 9.2 1.0 O A:ASN25 4.4 12.6 1.0 CA A:ALA26 4.9 8.7 1.0 CA A:SER27 5.0 9.3 1.0

Zinc binding site 3 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1005 b:12.7 occ:0.47 OE2 A:GLU48 3.2 15.3 0.3 ZN A:ZN1006 3.2 11.4 0.6 OD1 A:ASP51 3.8 22.2 1.0 CD A:GLU48 3.9 15.2 0.5 OE1 A:GLU48 4.0 13.1 0.3 OE1 A:GLU48 4.1 18.2 0.1 OE2 A:GLU48 4.1 10.5 0.2 CD A:GLU48 4.4 12.1 0.1 O A:HOH2171 4.5 20.1 0.6 O A:HOH2170 4.6 22.8 0.8 O A:HOH2055 4.6 19.5 1.0 CG A:ASP51 4.8 22.1 1.0

Zinc binding site 4 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1006 b:11.4 occ:0.56 OE2 A:GLU48 1.8 10.5 0.2 O A:HOH2055 1.9 19.5 1.0 OE1 A:GLU48 2.2 13.1 0.3 CD A:GLU48 2.8 12.1 0.1 CD A:GLU48 3.0 15.2 0.5 OE2 A:GLU48 3.1 15.3 0.3 ZN A:ZN1007 3.2 12.2 0.6 ZN A:ZN1005 3.2 12.7 0.5 OE1 A:GLU48 3.3 18.2 0.1 O A:HOH2171 3.6 20.1 0.6 O A:HOH2170 3.8 22.8 0.8 CG A:GLU48 4.1 11.8 0.6 CG A:GLU48 4.5 12.3 0.5 O A:HOH2191 4.6 34.7 1.0

Zinc binding site 5 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1007 b:12.2 occ:0.60 O A:HOH2055 1.6 19.5 1.0 O A:HOH2171 2.2 20.1 0.6 O A:HOH2170 2.4 22.8 0.8 OE2 A:GLU48 3.1 10.5 0.2 ZN A:ZN1006 3.2 11.4 0.6 ZN A:ZN1008 3.2 14.1 1.0 OE1 A:GLU47 3.2 15.7 1.0 OE1 A:GLU48 3.5 18.2 0.1 CD A:GLU48 3.5 12.1 0.1 O A:HOH2191 3.6 34.7 1.0 OE1 A:GLU48 3.8 13.1 0.3 OE1 A:GLU53 4.1 32.5 1.0 CB A:GLU47 4.3 10.0 1.0 CD A:GLU47 4.4 12.0 1.0 OE2 A:GLU53 4.5 13.7 1.0 CG A:GLU48 4.7 11.8 0.6 CD A:GLU53 4.7 19.1 1.0 O A:HOH2090 4.8 26.6 1.0 CD A:GLU48 4.9 15.2 0.5 CG A:GLU47 5.0 11.8 1.0

Zinc binding site 6 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1008 b:14.1 occ:1.00 OE2 A:GLU53 1.9 13.7 1.0 OE1 A:GLU47 1.9 15.7 1.0 CD A:GLU53 2.7 19.1 1.0 CD A:GLU47 2.8 12.0 1.0 OE1 A:GLU53 3.0 32.5 1.0 OE2 A:GLU47 3.1 11.6 1.0 ZN A:ZN1007 3.2 12.2 0.6 O A:HOH2170 3.5 22.8 0.8 O A:HOH2057 3.7 21.7 1.0 O A:HOH2171 4.0 20.1 0.6 CG A:GLU53 4.2 19.2 1.0 O A:HOH2191 4.2 34.7 1.0 CG A:GLU47 4.2 11.8 1.0 O A:HOH2090 4.4 26.6 1.0 CB A:GLU47 4.5 10.0 1.0 O A:HOH2055 4.6 19.5 1.0 CA A:GLU53 4.6 15.2 1.0 CB A:GLU53 4.6 16.9 1.0

Zinc binding site 7 out of 7 in the Crystal Structure of Butyryl-Acp I62M Mutant


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 Butyryl-Acp I62M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1009 b:13.6 occ:1.00 O A:HOH2038 1.9 17.1 1.0 O A:HOH2040 2.0 18.6 1.0 OE1 A:GLU21 2.1 26.2 1.0 CD A:GLU21 2.8 25.6 1.0 OE2 A:GLU21 2.9 29.9 1.0 O A:HOH2197 3.8 44.1 1.0 O A:HOH2081 3.9 19.4 1.0 O A:HOH2083 3.9 37.7 1.0 CE A:LYS18 3.9 20.9 1.0 CG A:GLU21 4.3 25.1 1.0 CG A:LYS18 4.4 16.7 1.0 N A:LYS18 4.6 15.9 1.0 CA A:VAL17 4.6 10.8 1.0 CB A:VAL17 4.6 11.4 1.0 CG1 A:VAL17 4.6 10.1 1.0 CB A:GLU21 4.7 18.2 1.0 CD A:LYS18 4.8 22.2 1.0 NZ A:LYS18 4.9 22.5 1.0

A.Roujeinikova, C.Baldock, W.J.Simon, J.Gilroy, P.J.Baker, A.R.Stuitje, D.W.Rice, A.R.Slabas, J.B.Rafferty. X-Ray Crystallographic Studies on Butyryl-Acp Reveal Flexibility of the Structure Around A Putative Acyl Chain Binding Site Structure V. 10 825 2002.
ISSN: ISSN 0969-2126
PubMed: 12057197
DOI: 10.1016/S0969-2126(02)00775-X