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Chlorine in PDB 2vel: Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties

Enzymatic activity of Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties

All present enzymatic activity of Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties:
5.3.1.1;

Protein crystallography data

The structure of Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties, PDB code: 2vel was solved by M.Alahuhta, M.Salin, M.G.Casteleijn, C.Kemmer, I.El-Sayed, K.Augustyns, P.Neubauer, R.K.Wierenga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.93 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.820, 85.600, 55.270, 90.00, 98.23, 90.00
R / Rfree (%) 18 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties (pdb code 2vel). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties, PDB code: 2vel:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2vel

Go back to Chlorine Binding Sites List in 2vel
Chlorine binding site 1 out of 2 in the Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1251

b:42.3
occ:1.00
N A:ASN34 3.2 19.3 1.0
ND1 A:HIS35 3.3 18.2 1.0
N A:HIS35 3.9 18.4 1.0
CE1 A:HIS35 3.9 18.4 1.0
OE1 A:GLN250 3.9 21.1 1.0
CA A:ILE33 3.9 19.3 1.0
C A:ILE33 4.0 19.3 1.0
ND2 A:ASN34 4.0 23.4 1.0
CA A:ASN34 4.1 19.7 1.0
CB A:ASN34 4.1 20.0 1.0
CG2 A:ILE33 4.4 18.9 1.0
CG A:HIS35 4.4 16.7 1.0
CG A:ASN34 4.5 22.1 1.0
O A:SER32 4.5 20.2 1.0
CD A:GLN250 4.5 20.1 1.0
C A:ASN34 4.5 19.1 1.0
CG A:LYS247 4.6 21.8 1.0
CB A:ILE33 4.7 19.3 1.0
CA A:LYS247 4.8 19.7 1.0
CB A:HIS35 4.8 17.2 1.0
NE2 A:GLN250 4.8 19.4 1.0
CA A:HIS35 4.9 17.1 1.0

Chlorine binding site 2 out of 2 in 2vel

Go back to Chlorine Binding Sites List in 2vel
Chlorine binding site 2 out of 2 in the Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure-Based Enzyme Engineering Efforts with An Inactive Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1251

b:48.6
occ:1.00
NH1 B:ARG98 3.4 14.1 1.0
OH B:TYR102 3.6 17.9 1.0
NH2 B:ARG98 3.7 16.7 1.0
CZ B:TYR102 4.0 16.6 1.0
CZ B:ARG98 4.0 17.9 1.0
O B:HOH2063 4.2 16.8 1.0
CE1 B:TYR102 4.4 15.0 1.0
CE2 B:TYR102 4.6 14.7 1.0

Reference:

M.Alahuhta, M.Salin, M.G.Casteleijn, C.Kemmer, I.El-Sayed, K.Augustyns, P.Neubauer, R.K.Wierenga. Structure-Based Protein Engineering Efforts with A Monomeric Tim Variant: the Importance of A Single Point Mutation For Generating An Active Site with Suitable Binding Properties. Protein Eng.Des.Sel. V. 21 257 2008.
ISSN: ISSN 1741-0126
PubMed: 18239072
DOI: 10.1093/PROTEIN/GZN002
Page generated: Fri Jul 11 00:47:08 2025

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