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Chlorine in PDB 4pk0: Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2

Enzymatic activity of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2

All present enzymatic activity of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2, PDB code: 4pk0 was solved by S.Han, B.V.Le, H.Hajare, R.H.G.Baxter, S.J.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.30
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.923, 63.233, 138.615, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.7

Other elements in 4pk0:

The structure of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2 (pdb code 4pk0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2, PDB code: 4pk0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4pk0

Go back to Chlorine Binding Sites List in 4pk0
Chlorine binding site 1 out of 3 in the Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2

b:46.1
occ:1.00
CL B:3MY2 0.0 46.1 1.0
CE2 B:3MY2 1.8 33.9 1.0
CD2 B:3MY2 2.8 31.5 1.0
CZ B:3MY2 2.8 33.2 1.0
OBD B:3MY2 3.1 33.2 1.0
CD2 A:LEU13 3.2 30.8 1.0
C3 B:GHP4 3.5 34.2 1.0
C2 B:GHP4 3.5 33.6 1.0
CE A:LYS60 3.6 41.7 1.0
CD1 A:LEU15 3.8 24.6 1.0
CG A:LEU15 4.0 23.6 1.0
CAJ A:T55201 4.0 55.2 1.0
CG B:3MY2 4.0 30.9 1.0
CE1 B:3MY2 4.1 31.5 1.0
CG A:LYS60 4.2 36.7 1.0
CG A:LEU13 4.3 30.0 1.0
CD2 A:LEU15 4.4 22.4 1.0
CAL A:T55201 4.5 51.2 1.0
CD A:LYS60 4.5 40.6 1.0
CD1 B:3MY2 4.6 30.8 1.0
C1 B:GHP4 4.6 33.0 1.0
C4 B:GHP4 4.6 38.9 1.0
NZ A:LYS60 4.7 44.7 1.0
CAK A:T55201 4.7 52.9 1.0

Chlorine binding site 2 out of 3 in 4pk0

Go back to Chlorine Binding Sites List in 4pk0
Chlorine binding site 2 out of 3 in the Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl6

b:69.4
occ:1.00
CL B:OMY6 0.0 69.4 1.0
CE1 B:OMY6 1.8 41.4 1.0
CD1 B:OMY6 2.7 38.5 1.0
CZ B:OMY6 2.8 38.0 1.0
OCZ B:OMY6 3.1 36.8 1.0
C5 B:GHP4 3.2 37.0 1.0
O5 B:GCS101 3.3 45.1 1.0
CB A:DAL171 3.3 32.7 1.0
C A:DAL170 3.5 32.3 1.0
C6 B:GHP4 3.5 34.6 1.0
C6 B:GCS101 3.6 40.3 1.0
N A:DAL171 3.6 33.3 1.0
O6 B:GCS101 3.7 37.6 1.0
O A:DAL170 3.7 29.4 1.0
O A:DPR168 3.8 31.4 1.0
CA A:DAL170 3.8 32.3 1.0
C4 B:GHP4 3.9 38.9 1.0
C5 B:GCS101 4.0 42.3 1.0
CG B:OMY6 4.0 35.8 1.0
CE2 B:OMY6 4.1 35.5 1.0
CA A:DAL171 4.1 32.6 1.0
N A:DAL170 4.3 32.2 1.0
C1 B:GCS101 4.3 42.7 1.0
C1 B:GHP4 4.4 33.0 1.0
O4 B:GHP4 4.4 40.6 1.0
O A:HOH380 4.5 34.9 1.0
CB A:DPR168 4.5 38.8 1.0
CD2 B:OMY6 4.5 35.7 1.0
C A:DPR168 4.6 38.1 1.0
O B:GHP4 4.7 28.0 1.0
C3 B:GHP4 4.7 34.2 1.0
C A:AIB169 4.7 33.4 1.0
C B:GHP4 4.9 29.9 1.0
O A:AIB169 4.9 34.5 1.0
C2 B:GHP4 4.9 33.6 1.0
O B:HOH211 4.9 23.5 1.0

Chlorine binding site 3 out of 3 in 4pk0

Go back to Chlorine Binding Sites List in 4pk0
Chlorine binding site 3 out of 3 in the Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of T4 Lysozyme-Peptide in Complex with Teicoplanin- A2-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:71.9
occ:1.00
NH2 A:ARG80 3.0 58.0 1.0
NH2 A:ARG76 3.1 50.3 1.0
NE A:ARG76 3.6 46.7 1.0
CZ A:ARG76 3.8 49.1 1.0
CZ A:ARG80 4.1 59.8 1.0
NH1 A:ARG80 4.2 59.8 1.0
CD A:ARG76 4.8 43.8 1.0
CB A:ALA73 4.9 33.2 1.0
CB A:ARG76 5.0 37.8 1.0

Reference:

S.Han, B.V.Le, H.S.Hajare, R.H.Baxter, S.J.Miller. X-Ray Crystal Structure of Teicoplanin A2-2 Bound to A Catalytic Peptide Sequence Via the Carrier Protein Strategy. J.Org.Chem. V. 79 8550 2014.
ISSN: ISSN 0022-3263
PubMed: 25147913
DOI: 10.1021/JO501625F
Page generated: Fri Jul 11 20:29:36 2025

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