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Chlorine 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:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of the Zinc(II) Adduct of the Cai Michigan 1 Variant, PDB code: 1jv0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1jv0

Go back to Chlorine Binding Sites List in 1jv0
Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl263

b:27.4
occ:1.00
ZN A:ZN262 2.3 22.1 1.0
O A:HOH290 2.7 30.4 1.0
NE A:ARG67 3.3 19.5 1.0
NE2 A:HIS200 3.4 18.8 1.0
O A:HOH282 3.5 13.2 1.0
CE1 A:HIS64 3.7 13.3 1.0
NH2 A:ARG67 3.7 19.3 1.0
O A:HOH296 3.8 22.1 1.0
NE2 A:HIS94 3.8 4.3 1.0
CD2 A:HIS94 3.8 6.5 1.0
CE1 A:HIS94 3.9 7.7 1.0
CG A:HIS94 3.9 9.6 1.0
ND1 A:HIS94 3.9 8.9 1.0
CD2 A:HIS200 3.9 20.1 1.0
CZ A:ARG67 3.9 20.6 1.0
ND1 A:HIS64 4.1 15.0 1.0
CB A:SER65 4.1 10.7 1.0
OG A:SER65 4.4 12.7 1.0
CD A:ARG67 4.4 17.3 1.0
CG A:ARG67 4.4 14.9 1.0
CE1 A:HIS200 4.5 18.8 1.0
CB A:HIS94 4.6 9.5 1.0
O A:HOH411 4.8 46.5 1.0
NE2 A:HIS64 4.8 14.9 1.0
O2 A:EDO265 4.9 40.2 1.0
ZN A:ZN261 4.9 14.1 1.0

Chlorine binding site 2 out of 3 in 1jv0

Go back to Chlorine Binding Sites List in 1jv0
Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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
B:Cl263

b:19.1
occ:1.00
ZN B:ZN262 2.2 20.7 1.0
O B:HOH1384 3.1 27.5 1.0
NE B:ARG67 3.3 21.2 1.0
O B:HOH1275 3.4 5.2 1.0
NE2 B:HIS200 3.5 16.4 1.0
NE2 B:HIS64 3.6 10.2 1.0
O B:HOH1465 3.7 43.9 1.0
NE2 B:HIS94 3.7 8.7 1.0
CD2 B:HIS94 3.7 7.9 1.0
NH2 B:ARG67 3.7 20.5 1.0
CE1 B:HIS94 3.9 8.9 1.0
CZ B:ARG67 3.9 22.4 1.0
O B:HOH1379 3.9 21.4 1.0
CG B:HIS94 3.9 9.0 1.0
ND1 B:HIS94 3.9 9.2 1.0
CD2 B:HIS64 4.0 7.7 1.0
CD2 B:HIS200 4.1 15.0 1.0
CB B:SER65 4.1 10.9 1.0
CD B:ARG67 4.5 17.0 1.0
OG B:SER65 4.5 13.0 1.0
CG B:ARG67 4.6 16.4 1.0
CB B:HIS94 4.6 8.3 1.0
CE1 B:HIS200 4.7 15.1 1.0
CE1 B:HIS64 4.8 7.5 1.0
ZN B:ZN261 4.8 12.4 1.0
CE1 B:HIS96 4.9 7.9 1.0
NE2 B:HIS96 4.9 9.1 1.0

Chlorine binding site 3 out of 3 in 1jv0

Go back to Chlorine Binding Sites List in 1jv0
Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl 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
B:Cl1266

b:43.7
occ:0.50
O B:HOH1470 1.8 32.0 1.0
OE1 B:GLN242 2.8 33.0 1.0
ZN B:ZN264 2.9 29.3 0.5
O B:HOH1467 3.2 52.1 1.0
NE2 B:HIS243 3.3 24.9 1.0
O B:HOH1402 3.5 39.2 1.0
O B:HOH1292 3.5 20.4 1.0
CD2 B:HIS243 3.7 23.7 1.0
O B:HOH1426 3.7 40.4 1.0
CD B:GLN242 3.7 28.5 1.0
CB B:GLN242 3.8 20.5 1.0
CG B:GLN242 4.2 26.9 1.0
O B:HOH1340 4.3 21.4 1.0
CE1 B:HIS243 4.5 24.4 1.0
NE2 B:GLN242 4.8 30.6 1.0
CG B:HIS243 4.9 22.7 1.0
CA B:GLN242 5.0 19.2 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: Sat Dec 12 08:39:08 2020

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