Iron in PDB 3git: Crystal Structure of A Truncated Acetyl-Coa Synthase

All present enzymatic activity of Crystal Structure of A Truncated Acetyl-Coa Synthase:
2.3.1.169;

The structure of Crystal Structure of A Truncated Acetyl-Coa Synthase, PDB code: 3git was solved by A.Volbeda, C.Darnault, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 3.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	166.400, 166.400, 245.200, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 20.8

The structure of Crystal Structure of A Truncated Acetyl-Coa Synthase also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of A Truncated Acetyl-Coa Synthase (pdb code 3git). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the Crystal Structure of A Truncated Acetyl-Coa Synthase, PDB code: 3git:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe738 b:56.4 occ:1.00 FE1 A:SF4738 0.0 56.4 1.0 S4 A:SF4738 2.2 56.5 1.0 S2 A:SF4738 2.3 58.4 1.0 SG A:CYS506 2.3 54.5 1.0 S3 A:SF4738 2.4 56.5 1.0 FE4 A:SF4738 2.5 56.0 1.0 FE3 A:SF4738 2.5 57.3 1.0 FE2 A:SF4738 2.8 57.3 1.0 CB A:CYS506 3.1 55.5 1.0 S1 A:SF4738 3.8 57.1 1.0 CB A:LEU508 4.1 55.9 1.0 CA A:CYS506 4.4 55.6 1.0 CG2 A:VAL531 4.4 55.1 1.0 N A:LEU508 4.4 55.8 1.0 SG A:CYS518 4.5 55.9 1.0 C A:CYS506 4.5 55.6 1.0 SG A:CYS509 4.5 55.6 1.0 CB A:CYS518 4.6 55.3 1.0 N A:VAL507 4.8 55.2 1.0 O A:CYS506 4.8 56.2 1.0 CA A:LEU508 4.8 55.9 1.0 N A:CYS509 4.9 56.0 1.0 SG A:CYS528 5.0 55.3 1.0 CB A:VAL531 5.0 56.2 1.0

Iron binding site 2 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe738 b:57.3 occ:1.00 FE2 A:SF4738 0.0 57.3 1.0 S4 A:SF4738 2.2 56.5 1.0 S3 A:SF4738 2.2 56.5 1.0 SG A:CYS528 2.3 55.3 1.0 S1 A:SF4738 2.3 57.1 1.0 FE4 A:SF4738 2.7 56.0 1.0 FE1 A:SF4738 2.8 56.4 1.0 FE3 A:SF4738 2.8 57.3 1.0 CB A:CYS528 3.4 55.2 1.0 CG2 A:VAL531 3.6 55.1 1.0 NH2 A:ARG405 4.0 54.8 1.0 N A:CYS528 4.0 55.3 1.0 S2 A:SF4738 4.1 58.4 1.0 NE A:ARG405 4.1 57.0 1.0 CB A:VAL531 4.2 56.2 1.0 CZ A:ARG405 4.3 56.0 1.0 CA A:CYS528 4.3 55.3 1.0 CA A:GLY526 4.5 54.8 1.0 N A:LEU527 4.6 54.9 1.0 C A:GLY526 4.6 54.8 1.0 SG A:CYS518 4.8 55.9 1.0 SG A:CYS506 4.9 54.5 1.0 SG A:CYS509 4.9 55.6 1.0 N A:VAL531 5.0 57.0 1.0

Iron binding site 3 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe738 b:57.3 occ:1.00 FE3 A:SF4738 0.0 57.3 1.0 SG A:CYS518 2.3 55.9 1.0 S2 A:SF4738 2.3 58.4 1.0 S4 A:SF4738 2.3 56.5 1.0 S1 A:SF4738 2.4 57.1 1.0 FE4 A:SF4738 2.5 56.0 1.0 FE1 A:SF4738 2.5 56.4 1.0 FE2 A:SF4738 2.8 57.3 1.0 CB A:CYS518 3.2 55.3 1.0 S3 A:SF4738 3.8 56.5 1.0 NE2 A:HIS516 4.1 56.5 1.0 N A:LEU527 4.3 54.9 1.0 CB A:CYS506 4.4 55.5 1.0 SG A:CYS506 4.4 54.5 1.0 CA A:CYS518 4.5 55.5 1.0 CD2 A:LEU527 4.5 53.6 1.0 CA A:GLY526 4.7 54.8 1.0 N A:CYS518 4.7 55.9 1.0 SG A:CYS509 4.7 55.6 1.0 SG A:CYS528 4.7 55.3 1.0 CD1 A:LEU527 4.8 54.1 1.0 CD2 A:HIS516 4.8 56.2 1.0 C A:GLY526 4.9 54.8 1.0 N A:CYS528 4.9 55.3 1.0

Iron binding site 4 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe738 b:56.0 occ:1.00 FE4 A:SF4738 0.0 56.0 1.0 S2 A:SF4738 2.3 58.4 1.0 S3 A:SF4738 2.3 56.5 1.0 S1 A:SF4738 2.3 57.1 1.0 FE3 A:SF4738 2.5 57.3 1.0 FE1 A:SF4738 2.5 56.4 1.0 SG A:CYS509 2.5 55.6 1.0 FE2 A:SF4738 2.7 57.3 1.0 ZN A:ZN739 3.5 58.0 0.8 S4 A:SF4738 3.7 56.5 1.0 CB A:CYS509 3.7 55.4 1.0 NH2 A:ARG405 4.0 54.8 1.0 N A:CYS509 4.2 56.0 1.0 SG A:CYS595 4.3 56.6 1.0 SG A:CYS597 4.5 57.8 1.0 SG A:CYS506 4.5 54.5 1.0 SG A:CYS528 4.5 55.3 1.0 SG A:CYS518 4.5 55.9 1.0 CB A:LEU508 4.6 55.9 1.0 CA A:CYS509 4.6 55.5 1.0 CB A:CYS528 4.8 55.2 1.0 CZ A:ARG405 5.0 56.0 1.0 C A:LEU508 5.0 56.3 1.0

Iron binding site 5 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe738 b:54.8 occ:1.00 FE1 B:SF4738 0.0 54.8 1.0 S4 B:SF4738 2.2 55.1 1.0 SG B:CYS506 2.2 56.8 1.0 S2 B:SF4738 2.2 57.3 1.0 S3 B:SF4738 2.3 56.6 1.0 FE4 B:SF4738 2.4 55.8 1.0 FE3 B:SF4738 2.5 55.0 1.0 FE2 B:SF4738 2.7 57.6 1.0 CB B:CYS506 3.2 56.0 1.0 S1 B:SF4738 3.8 54.5 1.0 CB B:LEU508 4.2 54.8 1.0 CA B:CYS506 4.4 56.0 1.0 SG B:CYS509 4.4 54.4 1.0 C B:CYS506 4.4 55.8 1.0 SG B:CYS518 4.5 55.1 1.0 CB B:CYS518 4.5 55.2 1.0 CG2 B:VAL531 4.6 54.9 1.0 N B:LEU508 4.6 55.1 1.0 O B:CYS506 4.7 55.8 1.0 N B:VAL507 4.8 55.5 1.0 CA B:LEU508 4.9 55.2 1.0 N B:CYS509 4.9 55.4 1.0 SG B:CYS528 5.0 56.6 1.0

Iron binding site 6 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe738 b:57.6 occ:1.00 FE2 B:SF4738 0.0 57.6 1.0 S1 B:SF4738 2.3 54.5 1.0 SG B:CYS528 2.3 56.6 1.0 S4 B:SF4738 2.3 55.1 1.0 S3 B:SF4738 2.4 56.6 1.0 FE4 B:SF4738 2.6 55.8 1.0 FE1 B:SF4738 2.7 54.8 1.0 FE3 B:SF4738 2.8 55.0 1.0 CB B:CYS528 3.5 55.9 1.0 CG2 B:VAL531 3.9 54.9 1.0 N B:CYS528 4.0 55.2 1.0 S2 B:SF4738 4.1 57.3 1.0 NH2 B:ARG405 4.2 54.0 1.0 NE B:ARG405 4.3 56.8 1.0 CB B:VAL531 4.3 56.3 1.0 CA B:CYS528 4.4 55.6 1.0 CA B:GLY526 4.4 54.8 1.0 C B:GLY526 4.5 54.7 1.0 N B:LEU527 4.5 54.9 1.0 CZ B:ARG405 4.5 55.5 1.0 SG B:CYS518 4.7 55.1 1.0 SG B:CYS509 4.8 54.4 1.0 SG B:CYS506 4.8 56.8 1.0 O B:GLY526 5.0 54.1 1.0

Iron binding site 7 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe738 b:55.0 occ:1.00 FE3 B:SF4738 0.0 55.0 1.0 SG B:CYS518 2.2 55.1 1.0 S2 B:SF4738 2.3 57.3 1.0 S1 B:SF4738 2.4 54.5 1.0 S4 B:SF4738 2.4 55.1 1.0 FE4 B:SF4738 2.4 55.8 1.0 FE1 B:SF4738 2.5 54.8 1.0 FE2 B:SF4738 2.8 57.6 1.0 CB B:CYS518 3.1 55.2 1.0 S3 B:SF4738 3.8 56.6 1.0 NE2 B:HIS516 4.2 57.9 1.0 SG B:CYS506 4.3 56.8 1.0 CB B:CYS506 4.4 56.0 1.0 CA B:CYS518 4.4 55.2 1.0 N B:LEU527 4.4 54.9 1.0 SG B:CYS509 4.6 54.4 1.0 N B:CYS518 4.6 55.3 1.0 CD1 B:LEU527 4.6 53.0 1.0 CA B:GLY526 4.7 54.8 1.0 CD2 B:LEU527 4.7 53.7 1.0 CD2 B:HIS516 4.8 56.8 1.0 SG B:CYS528 4.8 56.6 1.0 C B:GLY526 4.9 54.7 1.0 O B:CYS506 5.0 55.8 1.0

Iron binding site 8 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe738 b:55.8 occ:1.00 FE4 B:SF4738 0.0 55.8 1.0 S2 B:SF4738 2.2 57.3 1.0 S1 B:SF4738 2.3 54.5 1.0 S3 B:SF4738 2.3 56.6 1.0 SG B:CYS509 2.4 54.4 1.0 FE1 B:SF4738 2.4 54.8 1.0 FE3 B:SF4738 2.4 55.0 1.0 FE2 B:SF4738 2.6 57.6 1.0 ZN B:ZN739 3.6 57.4 0.8 S4 B:SF4738 3.7 55.1 1.0 CB B:CYS509 3.7 54.9 1.0 N B:CYS509 4.2 55.4 1.0 NH2 B:ARG405 4.3 54.0 1.0 SG B:CYS595 4.3 57.9 1.0 SG B:CYS506 4.5 56.8 1.0 SG B:CYS518 4.5 55.1 1.0 SG B:CYS528 4.5 56.6 1.0 SG B:CYS597 4.5 58.5 1.0 CA B:CYS509 4.6 55.0 1.0 CB B:LEU508 4.7 54.8 1.0 CB B:CYS528 4.9 55.9 1.0

Iron binding site 9 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe738 b:54.8 occ:1.00 FE1 C:SF4738 0.0 54.8 1.0 S4 C:SF4738 2.2 56.0 1.0 SG C:CYS506 2.3 56.6 1.0 S2 C:SF4738 2.4 57.4 1.0 S3 C:SF4738 2.4 55.6 1.0 FE3 C:SF4738 2.5 57.1 1.0 FE4 C:SF4738 2.6 55.9 1.0 FE2 C:SF4738 2.8 55.7 1.0 CB C:CYS506 3.1 55.9 1.0 S1 C:SF4738 3.8 55.3 1.0 CA C:CYS506 4.4 55.9 1.0 CB C:LEU508 4.4 55.4 1.0 SG C:CYS518 4.4 56.2 1.0 CB C:CYS518 4.4 55.5 1.0 CG2 C:VAL531 4.4 55.2 1.0 C C:CYS506 4.5 55.8 1.0 N C:LEU508 4.6 55.3 1.0 SG C:CYS509 4.6 56.2 1.0 N C:VAL507 4.7 55.3 1.0 O C:CYS506 4.8 55.9 1.0 CB C:VAL531 4.9 56.7 1.0

Iron binding site 10 out of 24 in the Crystal Structure of A Truncated Acetyl-Coa Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of A Truncated Acetyl-Coa Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe738 b:55.7 occ:1.00 FE2 C:SF4738 0.0 55.7 1.0 S1 C:SF4738 2.3 55.3 1.0 S4 C:SF4738 2.3 56.0 1.0 S3 C:SF4738 2.3 55.6 1.0 SG C:CYS528 2.3 55.3 1.0 FE3 C:SF4738 2.7 57.1 1.0 FE4 C:SF4738 2.7 55.9 1.0 FE1 C:SF4738 2.8 54.8 1.0 CB C:CYS528 3.5 55.2 1.0 CG2 C:VAL531 3.7 55.2 1.0 N C:CYS528 4.1 55.0 1.0 S2 C:SF4738 4.1 57.4 1.0 NH2 C:ARG405 4.1 54.5 1.0 NE C:ARG405 4.2 55.5 1.0 CB C:VAL531 4.2 56.7 1.0 CA C:CYS528 4.4 55.2 1.0 CZ C:ARG405 4.4 54.9 1.0 CA C:GLY526 4.5 54.9 1.0 C C:GLY526 4.6 55.1 1.0 N C:LEU527 4.6 55.0 1.0 SG C:CYS518 4.8 56.2 1.0 N C:VAL531 4.9 57.5 1.0 SG C:CYS509 4.9 56.2 1.0 SG C:CYS506 4.9 56.6 1.0

A.Volbeda, C.Darnault, X.Tan, P.A.Lindahl, J.C.Fontecilla-Camps. Novel Domain Arrangement in the Crystal Structure of A Truncated Acetyl-Coa Synthase From Moorella Thermoacetica Biochemistry V. 48 7916 2009.
ISSN: ISSN 0006-2960
PubMed: 19650626
DOI: 10.1021/BI9003952