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Gallium in PDB 5xhl: Crystal Structure of Hasap with Gallium Phthalocyanine

Protein crystallography data

The structure of Crystal Structure of Hasap with Gallium Phthalocyanine, PDB code: 5xhl was solved by O.Shoji, Y.Shisaka, Y.Iwai, H.Sugimoto, Y.Shiro, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.41 / 2.50
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 153.625, 153.625, 36.761, 90.00, 90.00, 120.00
R / Rfree (%) 19 / 23.8

Gallium Binding Sites:

The binding sites of Gallium atom in the Crystal Structure of Hasap with Gallium Phthalocyanine (pdb code 5xhl). This binding sites where shown within 5.0 Angstroms radius around Gallium atom.
In total 2 binding sites of Gallium where determined in the Crystal Structure of Hasap with Gallium Phthalocyanine, PDB code: 5xhl:
Jump to Gallium binding site number: 1; 2;

Gallium binding site 1 out of 2 in 5xhl

Go back to Gallium Binding Sites List in 5xhl
Gallium binding site 1 out of 2 in the Crystal Structure of Hasap with Gallium Phthalocyanine


Mono view


Stereo pair view

A full contact list of Gallium with other atoms in the Ga binding site number 1 of Crystal Structure of Hasap with Gallium Phthalocyanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ga201

b:26.9
occ:1.00
GA A:VPC201 0.0 26.9 1.0
N4 A:VPC201 2.2 26.1 1.0
OH A:TYR75 2.2 21.1 1.0
NE2 A:HIS32 2.2 22.6 1.0
N1 A:VPC201 2.3 20.7 1.0
N6 A:VPC201 2.3 22.8 1.0
N2 A:VPC201 2.3 25.0 1.0
C12 A:VPC201 3.1 26.3 1.0
C11 A:VPC201 3.1 26.1 1.0
CZ A:TYR75 3.1 23.0 1.0
C15 A:VPC201 3.2 23.0 1.0
C8 A:VPC201 3.2 24.3 1.0
CD2 A:HIS32 3.2 24.8 1.0
C4 A:VPC201 3.2 21.8 1.0
CE1 A:HIS32 3.2 25.7 1.0
C3 A:VPC201 3.2 20.2 1.0
C16 A:VPC201 3.2 21.9 1.0
C7 A:VPC201 3.3 23.8 1.0
N8 A:VPC201 3.4 24.3 1.0
N5 A:VPC201 3.4 24.7 1.0
N3 A:VPC201 3.5 21.7 1.0
N7 A:VPC201 3.5 20.7 1.0
CE1 A:TYR75 3.8 23.1 1.0
CE2 A:TYR75 3.9 22.7 1.0
ND1 A:HIS83 4.0 28.1 1.0
C9 A:VPC201 4.2 27.2 1.0
C10 A:VPC201 4.2 26.5 1.0
C14 A:VPC201 4.3 23.2 1.0
ND1 A:HIS32 4.3 26.0 1.0
C1 A:VPC201 4.3 21.4 1.0
C13 A:VPC201 4.3 22.7 1.0
C2 A:VPC201 4.3 20.4 1.0
C5 A:VPC201 4.3 25.2 1.0
CG A:HIS32 4.3 27.1 1.0
C6 A:VPC201 4.4 25.2 1.0
CG A:HIS83 4.8 27.8 1.0
CE1 A:HIS83 4.8 29.6 1.0
CB A:HIS83 4.8 26.6 1.0

Gallium binding site 2 out of 2 in 5xhl

Go back to Gallium Binding Sites List in 5xhl
Gallium binding site 2 out of 2 in the Crystal Structure of Hasap with Gallium Phthalocyanine


Mono view


Stereo pair view

A full contact list of Gallium with other atoms in the Ga binding site number 2 of Crystal Structure of Hasap with Gallium Phthalocyanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ga201

b:39.0
occ:1.00
GA B:VPC201 0.0 39.0 1.0
OH B:TYR75 2.2 36.7 1.0
N6 B:VPC201 2.3 39.1 1.0
N1 B:VPC201 2.3 41.7 1.0
N4 B:VPC201 2.3 41.7 1.0
N2 B:VPC201 2.4 45.0 1.0
NE2 B:HIS32 2.4 44.5 1.0
CZ B:TYR75 3.1 36.0 1.0
C15 B:VPC201 3.2 39.8 1.0
C12 B:VPC201 3.2 42.6 1.0
C3 B:VPC201 3.2 42.5 1.0
C16 B:VPC201 3.2 39.9 1.0
C4 B:VPC201 3.2 42.6 1.0
CD2 B:HIS32 3.2 46.4 1.0
C11 B:VPC201 3.3 43.6 1.0
C8 B:VPC201 3.3 43.8 1.0
C7 B:VPC201 3.3 43.6 1.0
CE1 B:HIS32 3.4 46.1 1.0
N8 B:VPC201 3.4 39.9 1.0
N7 B:VPC201 3.5 41.5 1.0
N3 B:VPC201 3.5 44.6 1.0
N5 B:VPC201 3.5 43.9 1.0
CE2 B:TYR75 3.9 34.4 1.0
CE1 B:TYR75 3.9 36.5 1.0
ND1 B:HIS83 4.0 30.2 1.0
C14 B:VPC201 4.3 41.1 1.0
C13 B:VPC201 4.3 40.3 1.0
C2 B:VPC201 4.3 41.5 1.0
C1 B:VPC201 4.3 42.3 1.0
C9 B:VPC201 4.3 42.5 1.0
C10 B:VPC201 4.4 43.9 1.0
C5 B:VPC201 4.4 44.2 1.0
C6 B:VPC201 4.4 45.2 1.0
CG B:HIS32 4.4 47.0 1.0
ND1 B:HIS32 4.4 46.3 1.0
CE1 B:HIS83 4.6 30.7 1.0
CG B:HIS83 4.8 32.1 1.0
CB B:HIS83 5.0 31.4 1.0

Reference:

O.Shoji, Y.Shisaka, Y.Iwai, H.Sugimoto, Y.Shiro, Y.Watanabe. Crystal Structure of Hasap with Gallium Phthalocyanine To Be Published.
Page generated: Wed Oct 28 18:36:59 2020

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