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Nickel in PDB 1elw: Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide

Protein crystallography data

The structure of Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide, PDB code: 1elw was solved by C.Scheufler, A.Brinker, F.U.Hartl, I.Moarefi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.87 / 1.60
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 75.470, 75.470, 42.890, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.5

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide (pdb code 1elw). 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 the TPR1 Domain of Hop in Complex with A HSC70 Peptide, PDB code: 1elw:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in 1elw

Go back to Nickel Binding Sites List in 1elw
Nickel binding site 1 out of 4 in the Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide


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 the TPR1 Domain of Hop in Complex with A HSC70 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni402

b:15.5
occ:1.00
NE2 A:HIS101 2.0 12.5 1.0
O3 A:TRS301 2.3 20.2 1.0
N A:TRS301 2.3 17.4 1.0
O3 A:TRS302 2.4 20.5 1.0
O2 A:TRS302 2.4 19.6 1.0
N A:TRS302 2.5 22.0 1.0
CE1 A:HIS101 2.9 16.3 1.0
CD2 A:HIS101 3.0 13.8 1.0
C A:TRS302 3.1 21.3 1.0
C A:TRS301 3.1 18.6 1.0
C3 A:TRS301 3.1 17.1 1.0
C3 A:TRS302 3.3 21.1 1.0
C2 A:TRS302 3.3 20.7 1.0
C2 A:TRS301 3.7 18.3 1.0
OE2 A:GLU97 3.9 18.9 1.0
ND1 A:HIS101 4.0 13.6 1.0
CG A:HIS101 4.1 14.0 1.0
O2 A:TRS301 4.1 18.1 1.0
OH A:TYR75 4.2 13.4 1.0
O A:HOH423 4.2 24.6 1.0
C1 A:TRS301 4.4 19.9 1.0
C1 A:TRS302 4.5 22.9 1.0
CG A:GLU97 4.7 19.4 1.0
CD A:GLU97 4.7 22.7 1.0
O1 A:TRS302 4.9 24.3 1.0
CB A:PRO69 4.9 16.7 1.0

Nickel binding site 2 out of 4 in 1elw

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Nickel binding site 2 out of 4 in the Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide


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 the TPR1 Domain of Hop in Complex with A HSC70 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni403

b:36.3
occ:0.50
NE2 A:HIS36 2.0 32.7 1.0
CE1 A:HIS36 2.7 32.1 1.0
CD2 A:HIS36 3.3 32.1 1.0
ND1 A:HIS36 3.9 33.1 1.0
CG A:HIS36 4.2 29.9 1.0

Nickel binding site 3 out of 4 in 1elw

Go back to Nickel Binding Sites List in 1elw
Nickel binding site 3 out of 4 in the Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide


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 the TPR1 Domain of Hop in Complex with A HSC70 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni401

b:14.9
occ:1.00
NE2 B:HIS101 2.0 13.2 1.0
O1 B:TRS303 2.1 18.7 1.0
N B:TRS304 2.1 15.9 1.0
O3 B:TRS304 2.1 17.5 1.0
O2 B:TRS303 2.1 18.0 1.0
N B:TRS303 2.2 14.2 1.0
C B:TRS303 2.7 16.9 1.0
C3 B:TRS304 2.8 18.3 1.0
C B:TRS304 2.9 17.9 1.0
C1 B:TRS303 2.9 17.6 1.0
C2 B:TRS303 2.9 16.8 1.0
CE1 B:HIS101 3.0 12.6 1.0
CD2 B:HIS101 3.1 10.9 1.0
C2 B:TRS304 3.6 18.0 1.0
OE1 B:GLU97 3.7 18.2 1.0
O2 B:TRS304 4.1 19.8 1.0
ND1 B:HIS101 4.1 12.7 1.0
C3 B:TRS303 4.1 17.7 1.0
C1 B:TRS304 4.2 19.0 1.0
CG B:HIS101 4.2 13.8 1.0
OH B:TYR75 4.2 13.3 1.0
O B:HOH492 4.3 35.3 1.0
O1 B:TRS304 4.3 22.2 1.0
O3 B:TRS303 4.6 20.4 1.0
CD B:GLU97 4.9 20.5 1.0
O B:GLU97 5.0 14.6 1.0

Nickel binding site 4 out of 4 in 1elw

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Nickel binding site 4 out of 4 in the Crystal Structure of the TPR1 Domain of Hop in Complex with A HSC70 Peptide


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 the TPR1 Domain of Hop in Complex with A HSC70 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni404

b:36.3
occ:0.50
NE2 B:HIS36 2.2 34.4 1.0
O B:HOH435 2.3 39.3 1.0
CE1 B:HIS36 2.8 33.1 1.0
CD2 B:HIS36 3.4 32.7 1.0
ND1 B:HIS36 4.0 32.3 1.0
CG B:HIS36 4.3 30.1 1.0

Reference:

C.Scheufler, A.Brinker, G.Bourenkov, S.Pegoraro, L.Moroder, H.Bartunik, F.U.Hartl, I.Moarefi. Structure of Tpr Domain-Peptide Complexes: Critical Elements in the Assembly of the HSP70-HSP90 Multichaperone Machine Cell(Cambridge,Mass.) V. 101 199 2000.
ISSN: ISSN 0092-8674
PubMed: 10786835
DOI: 10.1016/S0092-8674(00)80830-2
Page generated: Wed Dec 16 01:11:47 2020

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