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Chlorine in PDB 2g4z: Anomalous Substructure of Thermolysin

Enzymatic activity of Anomalous Substructure of Thermolysin

All present enzymatic activity of Anomalous Substructure of Thermolysin:
3.4.24.27;

Protein crystallography data

The structure of Anomalous Substructure of Thermolysin, PDB code: 2g4z was solved by C.Mueller-Dieckmann, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.98
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.487, 92.487, 127.529, 90.00, 90.00, 120.00
R / Rfree (%) 19 / 23.7

Other elements in 2g4z:

The structure of Anomalous Substructure of Thermolysin also contains other interesting chemical elements:

Calcium (Ca) 3 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Anomalous Substructure of Thermolysin (pdb code 2g4z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Anomalous Substructure of Thermolysin, PDB code: 2g4z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 1 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl325

b:28.2
occ:0.45
 N A:ASP16 3.1 41.1 1.0
NZ A:LYS18 3.2 37.5 1.0
CB A:ASP16 3.2 43.8 1.0
CA A:GLY12 3.4 35.9 1.0
N A:LEU14 3.5 40.8 1.0
C A:GLY12 3.5 38.1 1.0
O A:HOH353 3.5 41.3 1.0
OD2 A:ASP16 3.6 62.3 1.0
O A:ASP16 3.6 40.2 1.0
CA A:ASP16 3.6 41.0 1.0
CB A:LEU14 3.6 44.7 1.0
N A:GLY12 3.7 35.1 1.0
N A:GLY15 3.7 47.1 1.0
C A:LEU14 3.8 46.3 1.0
CA A:LEU14 3.8 45.9 1.0
CG A:ASP16 3.8 53.8 1.0
CE A:LYS18 3.8 40.4 1.0
O A:GLY12 3.9 36.2 1.0
N A:VAL13 3.9 35.7 1.0
C A:ASP16 4.0 40.3 1.0
OD1 A:ASP72 4.2 34.2 1.0
C A:GLY15 4.2 43.5 1.0
OD2 A:ASP72 4.2 32.3 1.0
O A:LEU14 4.4 46.3 1.0
CA A:GLY15 4.5 45.9 1.0
C A:VAL13 4.5 39.2 1.0
OH A:TYR76 4.6 38.6 1.0
CG A:ASP72 4.6 33.9 1.0
CA A:VAL13 4.8 38.6 1.0
OD1 A:ASP16 4.9 55.8 1.0
O A:HOH392 4.9 39.9 1.0
CG A:LEU14 5.0 50.2 1.0

Chlorine binding site 2 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 2 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl326

b:44.8
occ:0.70
 ZN A:ZN321 2.4 36.6 1.0
NE2 A:HIS231 3.3 40.3 1.0
OE2 A:GLU166 3.4 34.6 1.0
NE2 A:HIS142 3.6 33.2 1.0
OH A:TYR157 3.7 38.7 1.0
NE2 A:HIS146 3.8 38.9 1.0
O A:HOH421 4.0 37.9 1.0
CE1 A:HIS231 4.1 39.6 1.0
CD A:GLU166 4.1 34.6 1.0
OE1 A:GLU143 4.2 34.9 1.0
OE1 A:GLU166 4.2 31.7 1.0
CD2 A:HIS231 4.3 36.8 1.0
CD2 A:HIS142 4.3 34.4 1.0
CD2 A:HIS146 4.4 37.2 1.0
OE2 A:GLU143 4.5 35.2 1.0
CE1 A:HIS142 4.7 34.5 1.0
CD A:GLU143 4.7 32.4 1.0
CE1 A:HIS146 4.8 34.1 1.0
CZ A:TYR157 4.8 45.4 1.0
O A:ALA113 4.9 34.6 1.0

Chlorine binding site 3 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 3 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl327

b:36.9
occ:0.50
 O A:HOH412 2.8 48.9 1.0
O A:HOH392 3.2 39.9 1.0
CE1 A:TYR75 3.7 35.8 1.0
CE1 A:TYR76 3.9 37.6 1.0
CB A:ALA180 3.9 40.0 1.0
OH A:TYR75 4.3 37.4 1.0
CZ A:TYR75 4.5 37.5 1.0
CD1 A:TYR76 4.6 37.1 1.0
CD1 A:TYR75 4.6 32.2 1.0
CG2 A:VAL79 4.7 38.9 1.0
CD1 A:ILE137 4.7 52.4 1.0
OH A:TYR76 4.8 38.6 1.0
CZ A:TYR76 4.8 40.7 1.0
O A:ALA180 4.9 39.5 1.0
CA A:ALA180 4.9 40.7 1.0
CD A:LYS182 4.9 60.1 1.0
O A:HOH409 4.9 40.4 1.0

Chlorine binding site 4 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 4 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl328

b:52.2
occ:0.40
 N A:ASP226 3.4 40.6 1.0
CA A:ASP226 4.1 40.2 1.0
C A:GLN225 4.4 40.7 1.0
CA A:GLN225 4.5 45.3 1.0
CB A:GLN225 4.6 44.4 1.0
CB A:ASP226 4.8 39.1 1.0

Chlorine binding site 5 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 5 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl329

b:41.1
occ:0.40
 NE A:ARG285 3.3 46.0 1.0
NH2 A:ARG285 3.5 49.9 1.0
CE A:LYS307 3.7 46.7 1.0
CD A:LYS307 3.7 43.8 1.0
CG A:LYS307 3.8 44.1 1.0
CZ A:ARG285 3.9 53.3 1.0
CG2 A:VAL289 3.9 39.4 1.0
CD A:ARG285 4.4 40.6 1.0
NZ A:LYS307 4.4 48.5 1.0
CG1 A:VAL289 4.7 44.3 1.0
CB A:VAL289 4.7 42.4 1.0
CG A:ARG285 4.7 41.7 1.0
CB A:LYS307 4.9 42.2 1.0

Chlorine binding site 6 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 6 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl330

b:51.4
occ:0.40
 O A:HOH398 2.9 44.2 1.0
N A:ASP261 3.3 40.8 1.0
CG A:ASP261 3.4 53.2 1.0
N A:ARG260 3.4 39.4 1.0
OD1 A:ASP261 3.5 57.3 1.0
OD2 A:ASP261 3.7 63.0 1.0
CB A:ASP261 3.7 40.7 1.0
C A:GLY259 4.0 39.5 1.0
CA A:ARG260 4.1 41.5 1.0
CA A:ASP261 4.1 41.7 1.0
CA A:GLY259 4.1 38.3 1.0
C A:ARG260 4.1 40.2 1.0
O A:HOH399 4.2 46.4 1.0
CB A:ARG260 4.2 40.1 1.0
O A:GLY259 4.9 38.1 1.0
N A:LYS262 5.0 39.9 1.0

Chlorine binding site 7 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 7 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl331

b:45.6
occ:0.25
 NH1 A:ARG260 3.6 59.6 1.0
NE2 A:GLN246 4.0 51.9 1.0
CZ A:ARG260 4.8 64.0 1.0
CD A:GLN246 4.9 44.5 1.0

Chlorine binding site 8 out of 8 in 2g4z

Go back to Chlorine Binding Sites List in 2g4z
Chlorine binding site 8 out of 8 in the Anomalous Substructure of Thermolysin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Anomalous Substructure of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl332

b:36.2
occ:0.20
 N A:GLY212 3.7 46.1 1.0
CA A:GLY212 3.9 44.6 1.0
C A:TYR211 4.0 47.1 1.0
O A:LYS210 4.0 47.5 1.0
CA A:TYR211 4.4 45.3 1.0
O A:TYR211 4.5 48.8 1.0
O A:ALA209 4.6 42.9 1.0
C A:LYS210 4.7 46.3 1.0
N A:TYR211 4.8 43.9 1.0

Reference:

C.Mueller-Dieckmann, S.Panjikar, A.Schmidt, S.Mueller, J.Kuper, A.Geerlof, M.Wilmanns, R.K.Singh, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part IV. Efficient Determination of Anomalous Substructures in Biomacromolecules Using Longer X-Ray Wavelengths. Acta Crystallogr.,Sect.D V. 63 366 2007.
ISSN: ISSN 0907-4449
PubMed: 17327674
DOI: 10.1107/S0907444906055624
Page generated: Sat Jul 20 07:20:27 2024

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