Iron in PDB 7wb2: Oxidase Chap-D49L/Y109F Mutant

The structure of Oxidase Chap-D49L/Y109F Mutant, PDB code: 7wb2 was solved by Y.Zong, W.Zheng, Y.Wang, J.Zhu, R.Tan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.28 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.74, 61.72, 92.75, 90, 91.25, 90
R / Rfree (%)	21.4 / 25.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Iron atom in the Oxidase Chap-D49L/Y109F Mutant (pdb code 7wb2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 15 binding sites of Iron where determined in the Oxidase Chap-D49L/Y109F Mutant, PDB code: 7wb2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.5 occ:1.00 OD2 A:ASP45 1.9 14.9 1.0 OE1 A:GLU4 1.9 14.7 1.0 CD A:GLU4 2.6 15.9 1.0 OE2 A:GLU4 2.6 16.0 1.0 O A:HOH360 2.7 27.9 1.0 CG A:ASP45 2.9 19.4 1.0 CB A:ASP45 3.3 14.0 1.0 CG A:GLU4 4.0 12.5 1.0 OD1 A:ASP45 4.0 16.3 1.0 O A:HOH348 4.1 14.2 1.0 CD2 C:LEU67 4.3 13.8 1.0 O A:HOH361 4.3 16.1 1.0 CB A:GLU4 4.6 12.8 1.0 CA A:ASP45 4.8 13.4 1.0 O A:ASP45 4.9 12.5 1.0

Iron binding site 2 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:16.7 occ:1.00 NE2 A:HIS0 1.9 14.8 1.0 CE1 A:HIS0 2.9 19.2 1.0 CD2 A:HIS0 2.9 24.6 1.0 ND1 A:HIS0 4.0 17.1 1.0 CG A:HIS0 4.0 20.9 1.0 CB C:GLU71 4.9 19.6 1.0

Iron binding site 3 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:16.7 occ:1.00 OE1 A:GLU119 2.0 15.1 1.0 NE2 C:HIS7 2.1 16.1 1.0 NE2 A:HIS63 2.2 15.9 1.0 CD A:GLU119 3.0 22.4 1.0 CE1 C:HIS7 3.1 13.9 1.0 CD2 A:HIS63 3.1 15.7 1.0 CD2 C:HIS7 3.2 12.9 1.0 CE1 A:HIS63 3.2 18.7 1.0 OE2 A:GLU119 3.4 20.2 1.0 CB A:ALA65 4.0 13.1 1.0 CE2 A:PHE109 4.0 18.1 1.0 ND1 C:HIS7 4.2 17.7 1.0 CZ A:PHE109 4.2 25.0 1.0 CG A:HIS63 4.3 16.1 1.0 ND1 A:HIS63 4.3 16.4 1.0 CG C:HIS7 4.3 13.4 1.0 CG A:GLU119 4.4 19.7 1.0 CE A:MET121 4.5 33.5 1.0 CB A:GLU119 4.6 17.4 1.0 OE1 A:GLN91 4.7 26.6 1.0

Iron binding site 4 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe204 b:16.9 occ:1.00 NE2 A:HIS116 2.2 21.3 1.0 SG A:CYS64 2.4 18.3 1.0 CD2 A:HIS116 3.0 21.8 1.0 CE1 A:HIS116 3.3 25.2 1.0 CB A:CYS64 3.3 16.3 1.0 N A:CYS64 3.5 12.8 1.0 C A:HIS63 3.8 14.3 1.0 CA A:CYS64 3.9 17.9 1.0 O C:HOH377 4.0 28.6 1.0 O C:HOH323 4.1 19.6 1.0 O A:ASN117 4.1 20.4 1.0 O A:HIS63 4.1 14.7 1.0 CG1 A:VAL10 4.1 13.7 1.0 OG1 C:THR8 4.2 16.8 1.0 CG A:HIS116 4.2 17.5 1.0 ND1 A:HIS116 4.3 28.1 1.0 CA A:HIS63 4.4 15.8 1.0 CG2 A:VAL10 4.5 14.0 1.0 N A:HIS63 5.0 18.6 1.0 CB A:VAL10 5.0 12.8 1.0

Iron binding site 5 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:13.2 occ:1.00 NE2 B:HIS7 2.2 13.3 1.0 CE1 B:HIS7 3.1 13.4 1.0 CD2 B:HIS7 3.2 16.1 1.0 O B:HOH350 4.0 33.5 1.0 ND1 B:HIS7 4.2 13.5 1.0 CG B:HIS7 4.3 15.3 1.0

Iron binding site 6 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:19.6 occ:1.00 SG B:CYS64 2.3 21.0 1.0 O B:HOH358 2.7 32.4 1.0 CB B:CYS64 3.3 15.4 1.0 N B:CYS64 3.5 17.3 1.0 C B:HIS63 3.8 18.7 1.0 CA B:CYS64 3.9 16.5 1.0 O B:ASN117 4.1 25.0 1.0 O B:HIS63 4.1 16.5 1.0 O B:HOH369 4.1 37.0 1.0 CA B:HIS63 4.4 18.9 1.0 CG2 B:VAL10 4.5 18.3 1.0 CG1 B:VAL10 4.5 15.8 1.0 O B:HOH360 4.9 29.9 1.0 N B:HIS63 5.0 17.8 1.0

Iron binding site 7 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:14.3 occ:1.00 OD2 B:ASP45 2.0 17.4 1.0 OE1 B:GLU4 2.0 14.1 1.0 CD B:GLU4 2.7 15.7 1.0 OE2 B:GLU4 2.7 14.2 1.0 CG B:ASP45 3.0 16.2 1.0 CB B:ASP45 3.3 16.6 1.0 O B:HOH329 4.1 12.5 1.0 OD1 B:ASP45 4.1 17.4 1.0 CG B:GLU4 4.1 14.0 1.0 O B:HOH357 4.2 15.7 1.0 CB B:GLU4 4.7 13.9 1.0 CA B:ASP45 4.8 14.3 1.0 CE B:MET1 4.9 21.1 1.0

Iron binding site 8 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:12.8 occ:1.00 NE2 A:HIS7 2.1 13.1 1.0 OE1 C:GLU119 2.1 12.8 1.0 NE2 C:HIS63 2.1 12.8 1.0 O A:HOH355 2.4 25.7 1.0 CE1 A:HIS7 3.0 14.9 1.0 CE1 C:HIS63 3.0 14.3 1.0 CD C:GLU119 3.1 14.9 1.0 CD2 C:HIS63 3.1 12.8 1.0 CD2 A:HIS7 3.1 12.7 1.0 OE2 C:GLU119 3.4 16.7 1.0 CB C:ALA65 4.1 13.9 1.0 ND1 A:HIS7 4.1 13.4 1.0 ND1 C:HIS63 4.2 13.1 1.0 CE2 C:PHE109 4.2 12.9 1.0 CG A:HIS7 4.2 13.7 1.0 CG C:HIS63 4.2 12.9 1.0 CZ C:PHE109 4.4 12.9 1.0 CG C:GLU119 4.4 12.7 1.0 O C:HOH367 4.5 25.5 1.0 CB C:GLU119 4.7 14.6 1.0 CD1 A:ILE9 4.8 15.4 1.0

Iron binding site 9 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:13.6 occ:1.00 NE2 C:HIS116 1.9 22.7 1.0 O C:HOH320 2.2 17.9 1.0 SG C:CYS64 2.3 13.8 1.0 CE1 C:HIS116 2.7 21.8 1.0 CD2 C:HIS116 3.1 22.6 1.0 CB C:CYS64 3.3 12.7 1.0 N C:CYS64 3.5 12.8 1.0 C C:HIS63 3.8 14.2 1.0 ND1 C:HIS116 3.9 22.9 1.0 OD2 C:ASP58 3.9 20.1 1.0 CA C:CYS64 3.9 13.4 1.0 O A:HOH314 4.0 16.6 1.0 O A:HOH336 4.0 16.3 1.0 CG C:HIS116 4.1 24.9 1.0 O C:HIS63 4.1 12.8 1.0 O C:ASN117 4.1 14.4 1.0 OG1 A:THR8 4.1 15.2 1.0 O C:HOH354 4.2 26.6 1.0 CG1 C:VAL10 4.3 16.6 1.0 CG2 C:VAL10 4.4 18.1 1.0 CA C:HIS63 4.4 12.9 1.0 CG C:ASP58 4.6 31.4 1.0 OD1 C:ASP58 4.9 29.8 1.0 N C:HIS63 5.0 13.3 1.0

Iron binding site 10 out of 15 in the Oxidase Chap-D49L/Y109F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Oxidase Chap-D49L/Y109F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe203 b:41.5 occ:1.00 OE2 C:GLU33 1.8 43.2 1.0 OD2 C:ASP16 2.1 43.0 1.0 OE1 C:GLU33 2.2 38.1 1.0 CD C:GLU33 2.3 30.8 1.0 CG C:ASP16 2.8 43.3 1.0 OD1 C:ASP16 2.9 34.4 1.0 NZ C:LYS15 3.7 35.1 1.0 CG C:GLU33 3.8 39.2 1.0 CB C:ASP16 4.3 42.7 1.0 CB C:GLU33 4.7 28.0 1.0 CE C:LYS15 5.0 34.6 1.0

Y.S.Wang, W.Zheng, N.Jiang, Y.X.Jin, Z.K.Meng, M.X.Sun, Y.L.Zong, T.Xu, J.Zhu, R.X.Tan. Alteration of the Catalytic Reaction Trajectory of A Vicinal Oxygen Chelate Enzyme By Directed Evolution. Angew.Chem.Int.Ed.Engl. V. 61 01321 2022.
ISSN: ESSN 1521-3773
PubMed: 35415958
DOI: 10.1002/ANIE.202201321