Iron in PDB 5ggx: Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae

The structure of Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae, PDB code: 5ggx was solved by S.Agarwal, S.Dey, B.Ghosh, J.Dasgupta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.06 / 3.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	191.145, 191.145, 129.164, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 23.6

The binding sites of Iron atom in the Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae (pdb code 5ggx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae, PDB code: 5ggx:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae


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 FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:60.5 occ:1.00 FE A:DEF401 0.0 60.5 1.0 O32 A:DEF401 1.8 54.4 1.0 O31 A:DEF401 1.9 87.5 1.0 O11 A:DEF401 2.0 0.5 1.0 O21 A:DEF401 2.0 99.2 1.0 O12 A:DEF401 2.1 1.0 1.0 O22 A:DEF401 2.1 86.5 1.0 C31 A:DEF401 2.6 42.4 1.0 N11 A:DEF401 2.7 0.1 1.0 C21 A:DEF401 2.7 83.2 1.0 C11 A:DEF401 2.7 0.4 1.0 N21 A:DEF401 2.7 82.6 1.0 N31 A:DEF401 2.8 29.5 1.0 NH2 A:ARG102 3.7 70.6 1.0 C12 A:DEF401 3.8 99.9 1.0 C32 A:DEF401 3.8 33.8 1.0 C39 A:DEF401 4.0 0.4 1.0 C22 A:DEF401 4.0 82.3 1.0 NH1 A:ARG102 4.1 66.4 1.0 C19 A:DEF401 4.1 75.6 1.0 C29 A:DEF401 4.2 36.6 1.0 CZ A:ARG102 4.4 66.0 1.0 O23 A:DEF401 4.4 72.4 1.0 N12 A:DEF401 4.4 91.6 1.0 C24 A:DEF401 4.6 70.7 1.0 CH2 A:TRP293 4.7 62.5 1.0 C18 A:DEF401 4.7 73.1 1.0 C23 A:DEF401 4.8 79.9 1.0 C28 A:DEF401 4.8 47.1 1.0 C26 A:DEF401 4.8 51.0 1.0 C13 A:DEF401 4.8 0.9 1.0 C17 A:DEF401 4.9 80.5 1.0 C14 A:DEF401 5.0 99.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae


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 FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:0.7 occ:1.00 FE B:DEF401 0.0 0.7 1.0 O32 B:DEF401 1.8 97.2 1.0 O31 B:DEF401 1.9 0.3 1.0 O11 B:DEF401 2.0 0.8 1.0 O21 B:DEF401 2.0 95.3 1.0 O12 B:DEF401 2.1 0.1 1.0 O22 B:DEF401 2.1 0.6 1.0 C21 B:DEF401 2.5 95.8 1.0 C31 B:DEF401 2.6 82.6 1.0 N11 B:DEF401 2.7 0.4 1.0 N21 B:DEF401 2.7 89.6 1.0 C11 B:DEF401 2.8 0.6 1.0 N31 B:DEF401 2.8 59.9 1.0 C22 B:DEF401 2.9 95.0 1.0 C32 B:DEF401 3.6 72.3 1.0 C39 B:DEF401 4.1 0.3 1.0 C19 B:DEF401 4.1 85.8 1.0 C12 B:DEF401 4.1 0.8 1.0 C29 B:DEF401 4.2 61.8 1.0 NH2 B:ARG102 4.2 64.5 1.0 C23 B:DEF401 4.4 90.5 1.0 NH1 B:ARG102 4.6 79.6 1.0 C18 B:DEF401 4.7 85.0 1.0 C27 B:DEF401 4.7 69.6 1.0 N12 B:DEF401 4.7 0.5 1.0 CZ B:ARG102 4.8 71.4 1.0 C17 B:DEF401 4.9 91.0 1.0 C28 B:DEF401 5.0 71.1 1.0 C13 B:DEF401 5.0 0.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae


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 FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:59.5 occ:1.00 FE C:DEF401 0.0 59.5 1.0 O32 C:DEF401 1.8 81.7 1.0 O31 C:DEF401 1.9 0.8 1.0 O11 C:DEF401 2.0 88.8 1.0 O21 C:DEF401 2.0 0.4 1.0 O12 C:DEF401 2.1 99.0 1.0 O22 C:DEF401 2.1 86.9 1.0 C31 C:DEF401 2.6 74.8 1.0 N11 C:DEF401 2.7 86.0 1.0 C21 C:DEF401 2.7 85.1 1.0 N21 C:DEF401 2.7 90.4 1.0 C11 C:DEF401 2.7 92.6 1.0 N31 C:DEF401 2.8 29.7 1.0 NH2 C:ARG102 3.5 58.7 1.0 C12 C:DEF401 3.8 0.4 1.0 C32 C:DEF401 3.8 71.2 1.0 C39 C:DEF401 4.0 88.0 1.0 C22 C:DEF401 4.1 86.4 1.0 C19 C:DEF401 4.2 82.0 1.0 C29 C:DEF401 4.2 37.9 1.0 N12 C:DEF401 4.3 90.2 1.0 O23 C:DEF401 4.5 79.5 1.0 C24 C:DEF401 4.7 73.6 1.0 CH2 C:TRP293 4.7 45.2 1.0 C18 C:DEF401 4.8 81.9 1.0 C28 C:DEF401 4.8 41.2 1.0 CZ C:ARG102 4.8 62.4 1.0 C23 C:DEF401 4.8 84.0 1.0 C17 C:DEF401 4.8 87.5 1.0 C13 C:DEF401 4.8 0.8 1.0 C26 C:DEF401 5.0 46.6 1.0 C14 C:DEF401 5.0 0.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae


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 FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:88.0 occ:1.00 FE D:DEF401 0.0 88.0 1.0 O32 D:DEF401 1.8 98.8 1.0 O31 D:DEF401 1.9 94.2 1.0 O11 D:DEF401 2.0 0.4 1.0 O21 D:DEF401 2.0 94.5 1.0 O12 D:DEF401 2.1 0.5 1.0 O22 D:DEF401 2.1 0.4 1.0 C31 D:DEF401 2.6 97.1 1.0 N11 D:DEF401 2.7 0.5 1.0 C21 D:DEF401 2.7 96.2 1.0 N21 D:DEF401 2.7 90.6 1.0 N31 D:DEF401 2.7 49.7 1.0 C11 D:DEF401 2.8 0.7 1.0 C32 D:DEF401 3.8 95.0 1.0 O23 D:DEF401 3.8 81.7 1.0 C19 D:DEF401 3.9 87.2 1.0 C22 D:DEF401 3.9 87.3 1.0 C39 D:DEF401 4.0 0.7 1.0 C12 D:DEF401 4.1 0.0 1.0 C29 D:DEF401 4.1 74.3 1.0 C24 D:DEF401 4.2 78.0 1.0 NH2 D:ARG102 4.3 78.5 1.0 C23 D:DEF401 4.5 82.8 1.0 C26 D:DEF401 4.7 97.3 1.0 C28 D:DEF401 4.7 94.3 1.0 N12 D:DEF401 4.8 0.5 1.0 C27 D:DEF401 4.8 0.8 1.0 CH2 D:TRP293 4.8 63.3 1.0 C18 D:DEF401 4.9 88.2 1.0 C14 D:DEF401 4.9 0.8 1.0

S.Agarwal, M.Biswas, J.Dasgupta. Crystal Structure of FE3+ - Desferal Bound Siderophore Binding Protein Fhud From Vibrio Cholerae To Be Published.