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Nickel in PDB 1fn3: Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin

Protein crystallography data

The structure of Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin, PDB code: 1fn3 was solved by S.Venkateshrao, S.Deepthi, V.Pattabhi, P.T.Manoharan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.48
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.520, 96.138, 65.190, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 32.4

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin (pdb code 1fn3). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin, PDB code: 1fn3:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in 1fn3

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Nickel binding site 1 out of 4 in the Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni142

b:2.0
occ:1.00
NI A:HNI142 0.0 2.0 1.0
NA A:HNI142 1.8 2.0 1.0
ND A:HNI142 1.9 7.7 1.0
NB A:HNI142 2.0 11.8 1.0
NC A:HNI142 2.0 4.8 1.0
C1A A:HNI142 2.9 6.9 1.0
C4D A:HNI142 3.0 9.0 1.0
C4A A:HNI142 3.0 8.6 1.0
C1D A:HNI142 3.0 3.0 1.0
C4C A:HNI142 3.0 4.7 1.0
C4B A:HNI142 3.0 14.3 1.0
C1B A:HNI142 3.0 12.6 1.0
C1C A:HNI142 3.1 4.2 1.0
CHA A:HNI142 3.3 11.6 1.0
CHD A:HNI142 3.4 5.0 1.0
CHB A:HNI142 3.4 10.8 1.0
CHC A:HNI142 3.5 10.2 1.0
NE2 A:HIS87 3.9 37.1 1.0
C2A A:HNI142 4.2 5.7 1.0
C3A A:HNI142 4.2 10.0 1.0
C3D A:HNI142 4.2 2.7 1.0
C2D A:HNI142 4.2 2.0 1.0
C3C A:HNI142 4.3 3.5 1.0
C3B A:HNI142 4.3 13.7 1.0
CE1 A:HIS87 4.3 37.5 1.0
C2B A:HNI142 4.3 14.6 1.0
C2C A:HNI142 4.3 2.4 1.0
NE2 A:HIS58 4.5 32.0 1.0
CE1 A:HIS58 4.8 30.8 1.0
CG1 A:VAL93 4.9 9.4 1.0
CG1 A:VAL62 5.0 5.9 1.0
CD2 A:HIS87 5.0 31.7 1.0
CD1 A:LEU91 5.0 17.1 1.0

Nickel binding site 2 out of 4 in 1fn3

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Nickel binding site 2 out of 4 in the Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni147

b:2.0
occ:1.00
NI B:HNI147 0.0 2.0 1.0
NA B:HNI147 1.8 6.2 1.0
ND B:HNI147 1.9 3.0 1.0
NB B:HNI147 2.0 2.0 1.0
NC B:HNI147 2.0 2.0 1.0
C1A B:HNI147 2.9 5.2 1.0
C4D B:HNI147 2.9 9.2 1.0
C4A B:HNI147 3.0 7.9 1.0
C1D B:HNI147 3.0 2.1 1.0
C4C B:HNI147 3.0 2.0 1.0
C4B B:HNI147 3.0 2.1 1.0
C1B B:HNI147 3.0 2.0 1.0
C1C B:HNI147 3.0 6.4 1.0
CHA B:HNI147 3.3 4.8 1.0
NE2 B:HIS92 3.3 13.7 1.0
CHD B:HNI147 3.4 2.0 1.0
CHB B:HNI147 3.4 4.9 1.0
CHC B:HNI147 3.4 8.3 1.0
CD2 B:HIS92 3.7 11.6 1.0
CG2 B:VAL67 4.0 15.0 1.0
C2A B:HNI147 4.2 5.0 1.0
C3A B:HNI147 4.2 7.5 1.0
C3D B:HNI147 4.2 9.7 1.0
C2D B:HNI147 4.2 5.4 1.0
NE2 B:HIS63 4.2 2.0 1.0
C3C B:HNI147 4.3 4.6 1.0
C3B B:HNI147 4.3 2.7 1.0
C2B B:HNI147 4.3 5.0 1.0
C2C B:HNI147 4.3 5.9 1.0
CE1 B:HIS92 4.3 7.6 1.0
CE1 B:HIS63 4.6 6.3 1.0
CG B:HIS92 4.8 14.3 1.0

Nickel binding site 3 out of 4 in 1fn3

Go back to Nickel Binding Sites List in 1fn3
Nickel binding site 3 out of 4 in the Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni142

b:2.0
occ:1.00
NI C:HNI142 0.0 2.0 1.0
NA C:HNI142 1.8 2.4 1.0
ND C:HNI142 1.9 4.2 1.0
NB C:HNI142 2.0 5.7 1.0
NC C:HNI142 2.0 2.0 1.0
C1A C:HNI142 2.9 4.9 1.0
C4D C:HNI142 2.9 3.2 1.0
C4A C:HNI142 3.0 10.6 1.0
C1D C:HNI142 3.0 5.6 1.0
C4C C:HNI142 3.0 2.0 1.0
C4B C:HNI142 3.0 7.9 1.0
C1B C:HNI142 3.0 12.8 1.0
C1C C:HNI142 3.1 2.3 1.0
CHA C:HNI142 3.3 2.5 1.0
CHD C:HNI142 3.4 5.6 1.0
CHB C:HNI142 3.4 14.2 1.0
CHC C:HNI142 3.4 7.4 1.0
CE1 C:HIS87 4.0 31.6 1.0
NE2 C:HIS87 4.1 27.4 1.0
C2A C:HNI142 4.2 9.5 1.0
C3A C:HNI142 4.2 13.4 1.0
C3D C:HNI142 4.2 5.8 1.0
C2D C:HNI142 4.2 6.7 1.0
C3C C:HNI142 4.3 2.0 1.0
C2C C:HNI142 4.3 3.4 1.0
C3B C:HNI142 4.3 12.4 1.0
C2B C:HNI142 4.3 14.6 1.0
CG1 C:VAL93 4.9 2.0 1.0
NE2 C:HIS58 4.9 7.2 1.0
CG1 C:VAL62 4.9 15.1 1.0
CE1 C:HIS58 5.0 13.0 1.0

Nickel binding site 4 out of 4 in 1fn3

Go back to Nickel Binding Sites List in 1fn3
Nickel binding site 4 out of 4 in the Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Crystal Structure of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni147

b:2.0
occ:1.00
NI D:HNI147 0.0 2.0 1.0
NA D:HNI147 1.8 7.2 1.0
ND D:HNI147 1.9 2.0 1.0
NC D:HNI147 2.0 3.0 1.0
NB D:HNI147 2.0 2.0 1.0
C1A D:HNI147 2.9 10.1 1.0
C4D D:HNI147 2.9 5.2 1.0
C4A D:HNI147 3.0 10.7 1.0
C1D D:HNI147 3.0 3.3 1.0
C4C D:HNI147 3.0 7.4 1.0
C4B D:HNI147 3.0 2.9 1.0
C1B D:HNI147 3.0 2.1 1.0
C1C D:HNI147 3.0 4.9 1.0
NE2 D:HIS92 3.1 22.9 1.0
CHA D:HNI147 3.2 10.4 1.0
CD2 D:HIS92 3.3 24.9 1.0
CHD D:HNI147 3.4 6.7 1.0
CHB D:HNI147 3.4 8.5 1.0
CHC D:HNI147 3.4 6.1 1.0
C2A D:HNI147 4.2 9.5 1.0
C3A D:HNI147 4.2 9.9 1.0
C3D D:HNI147 4.2 6.0 1.0
C2D D:HNI147 4.2 5.2 1.0
C3C D:HNI147 4.2 9.2 1.0
C2C D:HNI147 4.3 8.8 1.0
CE1 D:HIS92 4.3 17.4 1.0
C2B D:HNI147 4.3 6.7 1.0
C3B D:HNI147 4.3 6.1 1.0
NE2 D:HIS63 4.4 18.3 1.0
CG2 D:VAL67 4.4 6.3 1.0
CG D:HIS92 4.6 21.4 1.0
CE1 D:HIS63 4.7 19.8 1.0
CE1 D:PHE103 4.9 5.7 1.0

Reference:

S.Venkateshrao, S.Deepthi, V.Pattabhi, P.T.Manoharan. Crystal Structure of Nickel Reconstituted Hemoglobin - A Case For Permanent, T-State Hemoglobin Curr.Sci. V. 84 179 2003.
ISSN: ISSN 0011-3891
Page generated: Wed Dec 16 01:11:49 2020

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