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Zinc in PDB 1jv0: The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant

Enzymatic activity of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant

All present enzymatic activity of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant, PDB code: 1jv0 was solved by F.Briganti, M.Ferraroni, W.R.Chegwidden, A.Scozzafava, C.T.Supuran, S.Tilli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.681, 71.356, 120.909, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 27.7

Other elements in 1jv0:

The structure of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant (pdb code 1jv0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant, PDB code: 1jv0:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 1jv0

Go back to Zinc Binding Sites List in 1jv0
Zinc binding site 1 out of 6 in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn261

b:14.1
occ:1.00
 O2 A:EDO265 1.8 40.2 1.0
NE2 A:HIS94 2.0 4.3 1.0
ND1 A:HIS119 2.0 7.6 1.0
NE2 A:HIS96 2.1 9.3 1.0
CE1 A:HIS119 2.8 9.6 1.0
CE1 A:HIS94 2.9 7.7 1.0
CD2 A:HIS96 3.0 10.6 1.0
CD2 A:HIS94 3.1 6.5 1.0
CE1 A:HIS96 3.1 9.8 1.0
CG A:HIS119 3.2 10.3 1.0
C2 A:EDO265 3.3 42.7 1.0
CB A:HIS119 3.7 10.0 1.0
O A:HOH290 3.8 30.4 1.0
C1 A:EDO265 3.8 41.6 1.0
OG1 A:THR199 3.9 10.1 1.0
NE2 A:HIS119 4.0 8.6 1.0
O1 A:EDO265 4.1 44.8 1.0
ND1 A:HIS94 4.1 8.9 1.0
OE1 A:GLU106 4.1 12.6 1.0
CG A:HIS94 4.2 9.6 1.0
CG A:HIS96 4.2 9.7 1.0
ND1 A:HIS96 4.2 10.8 1.0
CD2 A:HIS119 4.2 10.1 1.0
O A:HOH282 4.8 13.2 1.0
CL A:CL263 4.9 27.4 1.0

Zinc binding site 2 out of 6 in 1jv0

Go back to Zinc Binding Sites List in 1jv0
Zinc binding site 2 out of 6 in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:22.1
occ:1.00
 NH2 A:ARG67 2.1 19.3 1.0
CE1 A:HIS64 2.1 13.3 1.0
NE2 A:HIS200 2.1 18.8 1.0
CL A:CL263 2.3 27.4 1.0
CE1 A:HIS200 2.9 18.8 1.0
NE2 A:HIS64 3.0 14.9 1.0
CZ A:ARG67 3.0 20.6 1.0
ND1 A:HIS64 3.1 15.0 1.0
NE A:ARG67 3.1 19.5 1.0
CD2 A:HIS200 3.2 20.1 1.0
O A:HOH290 3.3 30.4 1.0
ND1 A:HIS200 4.0 20.1 1.0
CD2 A:HIS64 4.2 14.2 1.0
CG A:HIS200 4.2 18.7 1.0
O A:HOH296 4.2 22.1 1.0
CG A:HIS64 4.3 14.2 1.0
NH1 A:ARG67 4.3 22.0 1.0
CG2 A:VAL62 4.5 14.8 1.0
CD A:ARG67 4.6 17.3 1.0
CH2 A:TRP5 4.7 20.4 1.0
CB A:SER65 4.8 10.7 1.0

Zinc binding site 3 out of 6 in 1jv0

Go back to Zinc Binding Sites List in 1jv0
Zinc binding site 3 out of 6 in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn264

b:28.2
occ:0.50
 O A:HOH418 1.8 46.5 1.0
O A:HOH351 2.2 40.0 1.0
NE2 A:HIS243 2.3 22.8 1.0
O A:HOH380 2.4 52.8 1.0
CD2 A:HIS243 3.3 23.0 1.0
CE1 A:HIS243 3.3 24.6 1.0
O A:HOH495 3.4 51.5 1.0
O A:HOH448 3.5 40.1 1.0
NE2 A:GLN242 4.2 35.2 1.0
O A:TYR7 4.3 23.2 1.0
CG A:HIS243 4.4 22.1 1.0
O A:HOH387 4.5 36.1 1.0
ND1 A:HIS243 4.5 23.5 1.0
OD1 A:ASP8 4.7 36.2 1.0

Zinc binding site 4 out of 6 in 1jv0

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Zinc binding site 4 out of 6 in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn261

b:12.4
occ:1.00
 O1 B:EDO265 1.7 23.4 1.0
NE2 B:HIS94 2.0 8.7 1.0
NE2 B:HIS96 2.0 9.1 1.0
ND1 B:HIS119 2.0 7.6 1.0
CE1 B:HIS119 2.8 8.7 1.0
CE1 B:HIS94 2.9 8.9 1.0
CD2 B:HIS96 2.9 7.0 1.0
CD2 B:HIS94 3.0 7.9 1.0
CE1 B:HIS96 3.1 7.9 1.0
C1 B:EDO265 3.2 26.0 1.0
CG B:HIS119 3.2 9.3 1.0
O B:HOH1384 3.6 27.5 1.0
O2 B:EDO265 3.6 28.2 1.0
CB B:HIS119 3.7 9.4 1.0
OE1 B:GLU106 3.9 14.7 1.0
OG1 B:THR199 3.9 10.1 1.0
ND1 B:HIS94 4.0 9.2 1.0
C2 B:EDO265 4.0 23.9 1.0
NE2 B:HIS119 4.0 7.7 1.0
CG B:HIS94 4.1 9.0 1.0
CG B:HIS96 4.1 8.5 1.0
ND1 B:HIS96 4.2 7.8 1.0
CD2 B:HIS119 4.2 8.4 1.0
O B:HOH1275 4.7 5.2 1.0
CL B:CL263 4.8 19.1 1.0
CD B:GLU106 4.9 14.7 1.0

Zinc binding site 5 out of 6 in 1jv0

Go back to Zinc Binding Sites List in 1jv0
Zinc binding site 5 out of 6 in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn262

b:20.7
occ:1.00
 NE2 B:HIS64 2.0 10.2 1.0
NH2 B:ARG67 2.1 20.5 1.0
CL B:CL263 2.2 19.1 1.0
NE2 B:HIS200 2.3 16.4 1.0
CZ B:ARG67 2.9 22.4 1.0
CE1 B:HIS64 2.9 7.5 1.0
CE1 B:HIS200 3.1 15.1 1.0
CD2 B:HIS64 3.1 7.7 1.0
NE B:ARG67 3.1 21.2 1.0
CD2 B:HIS200 3.3 15.0 1.0
O B:HOH1384 3.6 27.5 1.0
O B:HOH1465 3.7 43.9 1.0
ND1 B:HIS64 4.1 8.6 1.0
CG B:HIS64 4.2 8.8 1.0
NH1 B:ARG67 4.2 24.1 1.0
ND1 B:HIS200 4.2 15.1 1.0
O B:HOH1379 4.3 21.4 1.0
CG B:HIS200 4.3 14.2 1.0
CG2 B:VAL62 4.4 9.9 1.0
CD B:ARG67 4.6 17.0 1.0
CH2 B:TRP5 4.9 18.1 1.0
CB B:SER65 4.9 10.9 1.0

Zinc binding site 6 out of 6 in 1jv0

Go back to Zinc Binding Sites List in 1jv0
Zinc binding site 6 out of 6 in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn264

b:29.3
occ:0.50
 O B:HOH1470 1.9 32.0 1.0
NE2 B:HIS243 2.2 24.9 1.0
O B:HOH1402 2.4 39.2 1.0
O B:HOH1467 2.8 52.1 1.0
CL B:CL1266 2.9 43.7 0.5
CE1 B:HIS243 3.1 24.4 1.0
CD2 B:HIS243 3.2 23.7 1.0
ND1 B:HIS243 4.2 24.2 1.0
CG B:HIS243 4.3 22.7 1.0
O B:HOH1426 4.5 40.4 1.0
OE1 B:GLN242 4.6 33.0 1.0

Reference:

M.Ferraroni, S.Tilli, F.Briganti, W.R.Chegwidden, C.T.Supuran, K.E.Wiebauer, R.E.Tashian, A.Scozzafava. Crystal Structure of A Zinc-Activated Variant of Human Carbonic Anhydrase I, Ca I Michigan 1: Evidence For A Second Zinc Binding Site Involving Arginine Coordination Biochemistry V. 41 6237 2002.
ISSN: ISSN 0006-2960
PubMed: 12009884
DOI: 10.1021/BI0120446
Page generated: Sun Oct 13 03:52:22 2024

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