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Copper in PDB 3ala: Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2

Enzymatic activity of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2

All present enzymatic activity of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2:
1.4.3.21;

Protein crystallography data

The structure of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2, PDB code: 3ala was solved by K.E.Ernberg, A.P.Mcgrath, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 110.40 / 2.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 394.468, 115.826, 179.286, 90.00, 112.34, 90.00
R / Rfree (%) 25 / 28.6

Other elements in 3ala:

The structure of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 also contains other interesting chemical elements:

Calcium (Ca) 14 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 (pdb code 3ala). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 7 binding sites of Copper where determined in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2, PDB code: 3ala:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7;

Copper binding site 1 out of 7 in 3ala

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Copper binding site 1 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu1762

b:43.5
occ:1.00
 NE2 A:HIS520 2.1 34.5 1.0
ND1 A:HIS684 2.2 35.6 1.0
NE2 A:HIS522 2.4 36.2 1.0
CE1 A:HIS520 2.9 36.5 1.0
CD2 A:HIS522 3.0 38.5 1.0
CG A:HIS684 3.1 37.4 1.0
CD2 A:HIS520 3.1 36.5 1.0
CE1 A:HIS684 3.2 38.6 1.0
CB A:HIS684 3.3 38.5 1.0
CE1 A:HIS522 3.6 39.9 1.0
ND1 A:HIS520 4.1 34.9 1.0
CG A:HIS520 4.2 34.6 1.0
CG A:HIS522 4.3 38.4 1.0
CD2 A:HIS684 4.3 38.5 1.0
NE2 A:HIS684 4.3 37.6 1.0
ND1 A:HIS522 4.5 39.1 1.0
O2 A:TPQ471 4.7 58.3 1.0
CA A:HIS684 4.8 38.3 1.0
CE1 A:PHE682 4.9 40.3 1.0

Copper binding site 2 out of 7 in 3ala

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Copper binding site 2 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu1762

b:49.5
occ:1.00
 NE2 B:HIS522 2.2 36.2 1.0
ND1 B:HIS684 2.3 35.7 1.0
NE2 B:HIS520 2.4 34.8 1.0
CD2 B:HIS522 2.8 38.5 1.0
O B:HOH764 3.0 43.1 1.0
CG B:HIS684 3.1 37.3 1.0
CE1 B:HIS520 3.3 36.8 1.0
CB B:HIS684 3.3 38.3 1.0
CE1 B:HIS684 3.3 38.6 1.0
CD2 B:HIS520 3.4 36.5 1.0
CE1 B:HIS522 3.5 39.9 1.0
CG B:HIS522 4.1 38.3 1.0
CD2 B:HIS684 4.3 38.5 1.0
ND1 B:HIS522 4.4 38.9 1.0
NE2 B:HIS684 4.4 37.4 1.0
ND1 B:HIS520 4.4 35.4 1.0
CG B:HIS520 4.5 34.7 1.0
CE1 B:PHE682 4.6 40.2 1.0
CA B:HIS684 4.8 38.3 1.0
CZ B:PHE682 4.8 39.8 1.0
CB B:ALA491 5.0 39.2 1.0

Copper binding site 3 out of 7 in 3ala

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Copper binding site 3 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu1762

b:58.0
occ:1.00
 ND1 C:HIS684 2.2 35.9 1.0
NE2 C:HIS520 2.2 34.8 1.0
NE2 C:HIS522 2.4 36.5 1.0
O C:HOH775 2.5 43.1 1.0
CE1 C:HIS520 3.0 36.9 1.0
CD2 C:HIS522 3.1 38.8 1.0
CE1 C:HIS684 3.1 38.7 1.0
CG C:HIS684 3.2 37.4 1.0
CD2 C:HIS520 3.3 36.7 1.0
CB C:HIS684 3.4 38.3 1.0
CE1 C:HIS522 3.6 39.8 1.0
O2 C:TPQ471 4.2 61.8 1.0
ND1 C:HIS520 4.2 35.3 1.0
NE2 C:HIS684 4.3 37.7 1.0
CD2 C:HIS684 4.3 38.6 1.0
CG C:HIS522 4.3 38.6 1.0
CG C:HIS520 4.4 35.1 1.0
ND1 C:HIS522 4.6 39.1 1.0
CE1 C:PHE682 4.9 40.4 1.0
CA C:HIS684 5.0 38.4 1.0

Copper binding site 4 out of 7 in 3ala

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Copper binding site 4 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu1762

b:44.7
occ:1.00
 NE2 D:HIS520 2.1 34.5 1.0
ND1 D:HIS684 2.2 36.0 1.0
NE2 D:HIS522 2.4 36.5 1.0
CE1 D:HIS520 2.9 36.4 1.0
CD2 D:HIS522 3.0 38.8 1.0
CG D:HIS684 3.2 37.3 1.0
CD2 D:HIS520 3.2 36.5 1.0
CE1 D:HIS684 3.3 38.7 1.0
CB D:HIS684 3.4 38.3 1.0
CE1 D:HIS522 3.6 40.0 1.0
ND1 D:HIS520 4.1 35.3 1.0
O2 D:TPQ471 4.1 48.9 1.0
CG D:HIS520 4.2 35.1 1.0
CG D:HIS522 4.3 38.6 1.0
CD2 D:HIS684 4.3 38.5 1.0
NE2 D:HIS684 4.4 37.7 1.0
ND1 D:HIS522 4.5 39.0 1.0
CA D:HIS684 4.9 38.5 1.0
CE1 D:PHE682 4.9 40.3 1.0

Copper binding site 5 out of 7 in 3ala

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Copper binding site 5 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu1762

b:49.1
occ:1.00
 NE2 E:HIS520 2.2 34.9 1.0
ND1 E:HIS684 2.2 35.9 1.0
NE2 E:HIS522 2.3 36.3 1.0
CD2 E:HIS522 2.9 38.5 1.0
CE1 E:HIS520 3.1 36.8 1.0
CG E:HIS684 3.1 37.2 1.0
CD2 E:HIS520 3.2 36.7 1.0
CE1 E:HIS684 3.3 38.8 1.0
CB E:HIS684 3.3 38.3 1.0
CE1 E:HIS522 3.5 39.9 1.0
CG E:HIS522 4.1 38.3 1.0
ND1 E:HIS520 4.2 35.2 1.0
CD2 E:HIS684 4.3 38.6 1.0
CG E:HIS520 4.3 34.8 1.0
NE2 E:HIS684 4.3 37.9 1.0
ND1 E:HIS522 4.4 39.0 1.0
CE1 E:PHE682 4.8 40.3 1.0
CA E:HIS684 4.8 38.5 1.0

Copper binding site 6 out of 7 in 3ala

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Copper binding site 6 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu1762

b:60.5
occ:1.00
 NE2 F:HIS522 2.2 36.1 1.0
NE2 F:HIS520 2.2 35.5 1.0
ND1 F:HIS684 2.3 35.7 1.0
CD2 F:HIS522 2.7 38.6 1.0
CE1 F:HIS520 3.1 37.1 1.0
CG F:HIS684 3.1 38.0 1.0
CD2 F:HIS520 3.2 36.9 1.0
CB F:HIS684 3.2 38.7 1.0
CE1 F:HIS684 3.4 38.7 1.0
CE1 F:HIS522 3.4 39.8 1.0
CG F:HIS522 4.0 38.8 1.0
ND1 F:HIS520 4.2 35.4 1.0
CG F:HIS520 4.2 35.5 1.0
ND1 F:HIS522 4.3 39.1 1.0
CD2 F:HIS684 4.3 38.8 1.0
NE2 F:HIS684 4.4 37.8 1.0
CE1 F:PHE682 4.7 40.4 1.0
CA F:HIS684 4.7 38.6 1.0
O2 F:TPQ471 4.9 46.0 1.0
CZ F:PHE682 4.9 40.0 1.0

Copper binding site 7 out of 7 in 3ala

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Copper binding site 7 out of 7 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu1762

b:69.4
occ:1.00
 ND1 G:HIS684 2.1 36.0 1.0
NE2 G:HIS520 2.2 35.4 1.0
NE2 G:HIS522 2.4 36.3 1.0
CD2 G:HIS522 2.8 38.5 1.0
CG G:HIS684 2.8 37.5 1.0
CB G:HIS684 2.9 38.5 1.0
CE1 G:HIS520 3.0 37.0 1.0
CD2 G:HIS520 3.1 37.0 1.0
CE1 G:HIS684 3.2 38.9 1.0
CE1 G:HIS522 3.7 40.0 1.0
CD2 G:HIS684 4.1 38.7 1.0
ND1 G:HIS520 4.1 35.2 1.0
CG G:HIS522 4.1 38.5 1.0
CG G:HIS520 4.2 35.3 1.0
NE2 G:HIS684 4.2 37.9 1.0
CA G:HIS684 4.5 38.5 1.0
ND1 G:HIS522 4.5 39.2 1.0
CE1 G:PHE682 4.5 40.5 1.0
CZ G:PHE682 4.9 40.2 1.0

Reference:

K.Ernberg, A.P.Mcgrath, T.S.Peat, T.E.Adams, X.Xiao, T.Pham, J.Newman, I.A.Mcdonald, C.A.Collyer, J.M.Guss. A New Crystal Form of Human Vascular Adhesion Protein 1 Acta Crystallogr.,Sect.F V. 66 1572 2010.
ISSN: ESSN 1744-3091
PubMed: 21139198
DOI: 10.1107/S1744309110041515
Page generated: Wed Jul 31 00:37:07 2024

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