Atomistry » Iron » PDB 4kib-4kx6 » 4kjt
Atomistry »
  Iron »
    PDB 4kib-4kx6 »
      4kjt »

Iron in PDB 4kjt: Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen

Protein crystallography data

The structure of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen, PDB code: 4kjt was solved by C.Wang, L.Lovelace, L.Lebioda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.05 / 1.44
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.128, 67.782, 68.132, 90.00, 90.00, 90.00
R / Rfree (%) 13.3 / 18

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen (pdb code 4kjt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen, PDB code: 4kjt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4kjt

Go back to Iron Binding Sites List in 4kjt
Iron binding site 1 out of 2 in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:17.0
occ:1.00
FE A:HEM201 0.0 17.0 1.0
ND A:HEM201 1.9 16.8 1.0
NA A:HEM201 2.0 16.1 1.0
NB A:HEM201 2.1 15.3 1.0
NC A:HEM201 2.1 16.9 1.0
NE2 A:HIS89 2.2 18.5 1.0
O1 A:OXY202 2.3 23.8 1.0
C1D A:HEM201 3.0 19.4 1.0
C4D A:HEM201 3.0 18.6 1.0
C1A A:HEM201 3.0 16.6 1.0
C4A A:HEM201 3.1 16.0 1.0
C4B A:HEM201 3.1 14.9 1.0
C4C A:HEM201 3.1 18.0 1.0
C1C A:HEM201 3.1 17.3 1.0
C1B A:HEM201 3.1 13.4 1.0
CE1 A:HIS89 3.1 18.9 1.0
CD2 A:HIS89 3.2 18.0 1.0
CHD A:HEM201 3.4 19.5 1.0
CHA A:HEM201 3.4 18.2 1.0
CHC A:HEM201 3.4 16.9 1.0
CHB A:HEM201 3.5 15.7 1.0
O2 A:OXY202 3.5 32.5 1.0
C2D A:HEM201 4.2 21.7 1.0
C3D A:HEM201 4.3 21.7 1.0
ND1 A:HIS89 4.3 18.1 1.0
C3C A:HEM201 4.3 17.7 1.0
C2A A:HEM201 4.3 16.0 1.0
C3A A:HEM201 4.3 17.2 1.0
CG A:HIS89 4.3 16.7 1.0
C2B A:HEM201 4.3 15.0 1.0
C2C A:HEM201 4.3 17.2 1.0
C3B A:HEM201 4.3 15.7 1.0
CG2 A:VAL59 4.5 15.3 1.0
CE A:MET86 4.8 27.5 1.0
CE1 A:HIS55 4.9 17.7 0.5

Iron binding site 2 out of 2 in 4kjt

Go back to Iron Binding Sites List in 4kjt
Iron binding site 2 out of 2 in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata with Oxygen within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:17.3
occ:1.00
FE B:HEM201 0.0 17.3 1.0
ND B:HEM201 2.0 17.6 1.0
NA B:HEM201 2.0 17.2 1.0
NC B:HEM201 2.0 18.2 1.0
NB B:HEM201 2.1 15.5 1.0
NE2 B:HIS89 2.2 16.3 1.0
O B:HOH301 2.3 24.1 1.0
C1D B:HEM201 3.0 20.7 1.0
C4D B:HEM201 3.0 19.8 1.0
C4C B:HEM201 3.0 18.4 1.0
C1B B:HEM201 3.0 17.0 1.0
C4A B:HEM201 3.0 15.9 1.0
C4B B:HEM201 3.1 15.9 1.0
C1C B:HEM201 3.1 19.0 1.0
C1A B:HEM201 3.1 15.3 1.0
CE1 B:HIS89 3.1 20.4 1.0
CD2 B:HIS89 3.2 17.7 1.0
CHB B:HEM201 3.4 17.5 1.0
CHD B:HEM201 3.4 20.1 1.0
CHC B:HEM201 3.4 16.6 1.0
CHA B:HEM201 3.5 19.5 1.0
C3D B:HEM201 4.2 18.6 1.0
C2C B:HEM201 4.2 18.1 1.0
C3C B:HEM201 4.2 18.8 1.0
C2D B:HEM201 4.3 20.8 1.0
ND1 B:HIS89 4.3 18.4 1.0
C3A B:HEM201 4.3 16.0 1.0
C2B B:HEM201 4.3 15.9 1.0
C2A B:HEM201 4.3 16.8 1.0
C3B B:HEM201 4.3 16.7 1.0
CG B:HIS89 4.3 18.0 1.0
CG2 B:VAL59 4.4 13.8 1.0
NE2 B:HIS55 4.7 12.3 0.5
CE B:MET86 4.9 21.2 1.0

Reference:

S.Sun, M.Sono, C.Wang, J.Du, L.Lebioda, J.H.Dawson. Influence of Heme Environment Structure on Dioxygen Affinity For the Dual Function Amphitrite Ornata Hemoglobin/Dehaloperoxidase. Insights Into the Evolutional Structure-Function Adaptations. Arch.Biochem.Biophys. V. 545 108 2014.
ISSN: ISSN 0003-9861
PubMed: 24440609
DOI: 10.1016/J.ABB.2014.01.010
Page generated: Mon Aug 5 05:27:48 2024

Last articles

Ca in 2VQR
Ca in 2VPT
Ca in 2VOX
Ca in 2VOW
Ca in 2VOV
Ca in 2VNO
Ca in 2VNR
Ca in 2VNG
Ca in 2VN5
Ca in 2VME
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy