Atomistry » Iron » PDB 1bj9-1c53 » 1bka
Atomistry »
  Iron »
    PDB 1bj9-1c53 »
      1bka »

Iron in PDB 1bka: Oxalate-Substituted Diferric Lactoferrin

Protein crystallography data

The structure of Oxalate-Substituted Diferric Lactoferrin, PDB code: 1bka was solved by H.M.Baker, C.A.Smith, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 155.460, 96.920, 55.850, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / n/a

Iron Binding Sites:

The binding sites of Iron atom in the Oxalate-Substituted Diferric Lactoferrin (pdb code 1bka). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Oxalate-Substituted Diferric Lactoferrin, PDB code: 1bka:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1bka

Go back to Iron Binding Sites List in 1bka
Iron binding site 1 out of 2 in the Oxalate-Substituted Diferric Lactoferrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxalate-Substituted Diferric Lactoferrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe693

b:39.0
occ:1.00
OH A:TYR192 1.6 32.0 1.0
OH A:TYR92 1.9 42.4 1.0
OD1 A:ASP60 1.9 48.5 1.0
O1 A:OXL695 2.0 41.6 1.0
NE2 A:HIS253 2.1 36.9 1.0
O2 A:OXL695 2.3 43.4 1.0
CZ A:TYR192 2.8 36.5 1.0
C1 A:OXL695 2.9 40.0 1.0
CZ A:TYR92 2.9 34.2 1.0
CE1 A:HIS253 3.0 41.0 1.0
C2 A:OXL695 3.0 38.3 1.0
CD2 A:HIS253 3.1 37.7 1.0
CG A:ASP60 3.1 47.8 1.0
O A:HOH916 3.5 52.3 1.0
CE2 A:TYR92 3.6 28.8 1.0
CE1 A:TYR192 3.7 31.5 1.0
CE2 A:TYR192 3.7 30.3 1.0
CE1 A:TYR92 3.9 35.1 1.0
OD2 A:ASP60 3.9 54.5 1.0
O3 A:OXL695 4.1 46.0 1.0
CB A:ASP60 4.1 34.6 1.0
ND1 A:HIS253 4.1 37.1 1.0
NH2 A:ARG210 4.1 23.2 1.0
CG A:HIS253 4.2 30.0 1.0
O4 A:OXL695 4.3 37.2 1.0
CB A:THR122 4.4 32.7 1.0
OG1 A:THR122 4.5 42.9 1.0
CA A:ASP60 4.7 31.0 1.0
N A:ALA123 4.8 20.0 1.0
CD2 A:TYR92 4.9 32.3 1.0
N A:GLY61 4.9 40.8 1.0
CZ A:ARG210 4.9 33.8 1.0
CD1 A:TYR192 4.9 32.8 1.0
NE A:ARG210 5.0 22.5 1.0
CD2 A:TYR192 5.0 37.9 1.0

Iron binding site 2 out of 2 in 1bka

Go back to Iron Binding Sites List in 1bka
Iron binding site 2 out of 2 in the Oxalate-Substituted Diferric Lactoferrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxalate-Substituted Diferric Lactoferrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe694

b:35.2
occ:1.00
OH A:TYR435 1.6 27.3 1.0
OH A:TYR528 1.8 33.4 1.0
O2 A:OXL696 1.9 20.0 1.0
OD1 A:ASP395 1.9 32.8 1.0
O1 A:OXL696 2.3 19.9 1.0
NE2 A:HIS597 2.3 23.8 1.0
CZ A:TYR435 2.7 27.2 1.0
C2 A:OXL696 2.8 22.9 1.0
CZ A:TYR528 3.0 34.4 1.0
C1 A:OXL696 3.0 33.9 1.0
CG A:ASP395 3.1 48.1 1.0
CE1 A:HIS597 3.2 19.6 1.0
CE1 A:TYR435 3.3 30.4 1.0
CD2 A:HIS597 3.5 25.1 1.0
CE2 A:TYR528 3.8 21.3 1.0
CE2 A:TYR435 3.8 28.9 1.0
CE1 A:TYR528 3.9 18.3 1.0
OD2 A:ASP395 4.0 40.4 1.0
O4 A:OXL696 4.1 29.6 1.0
CB A:ASP395 4.1 34.9 1.0
O A:HOH918 4.2 73.3 1.0
O3 A:OXL696 4.3 31.4 1.0
ND1 A:HIS597 4.4 20.2 1.0
CG A:HIS597 4.5 17.8 1.0
CA A:ASP395 4.6 29.4 1.0
CD1 A:TYR435 4.7 22.6 1.0
N A:ALA467 4.7 33.4 1.0
CB A:THR466 4.8 26.6 1.0
OG1 A:THR466 4.9 34.8 1.0
CB A:ALA467 4.9 24.9 1.0
N A:THR466 4.9 28.1 1.0
CD2 A:TYR435 5.0 22.2 1.0

Reference:

H.M.Baker, B.F.Anderson, A.M.Brodie, M.S.Shongwe, C.A.Smith, E.N.Baker. Anion Binding By Transferrins: Importance of Second-Shell Effects Revealed By the Crystal Structure of Oxalate-Substituted Diferric Lactoferrin. Biochemistry V. 35 9007 1996.
ISSN: ISSN 0006-2960
PubMed: 8703903
DOI: 10.1021/BI960288Y
Page generated: Sun Dec 13 14:08:00 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy