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Chlorine in PDB 6hae: Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B)

Enzymatic activity of Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B)

All present enzymatic activity of Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B):
1.12.98.2;

Protein crystallography data

The structure of Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B), PDB code: 6hae was solved by G.Huang, T.Wagner, M.D.Wodrich, K.Ataka, E.Bill, U.Ermler, X.Hu, S.Shima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.56 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.015, 156.480, 53.654, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.2

Other elements in 6hae:

The structure of Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B) also contains other interesting chemical elements:

Potassium (K) 4 atoms
Iron (Fe) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B) (pdb code 6hae). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B), PDB code: 6hae:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6hae

Go back to Chlorine Binding Sites List in 6hae
Chlorine binding site 1 out of 2 in the Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B)


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 [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:35.7
occ:1.00
 N A:GLY153 3.3 26.9 1.0
CA K:PHE281 3.8 23.9 1.0
CB A:LYS151 3.8 25.4 1.0
CA A:GLY153 3.9 29.8 1.0
N A:GLY152 4.1 23.0 1.0
CG A:LYS151 4.1 28.3 1.0
CD1 K:PHE281 4.1 19.8 1.0
CB K:PHE281 4.2 21.0 1.0
N K:PHE281 4.2 26.3 1.0
CE K:MET284 4.2 26.7 1.0
C A:LYS151 4.2 26.9 1.0
CD A:LYS151 4.3 21.6 1.0
CB K:MET284 4.4 23.1 1.0
C A:GLY152 4.4 26.8 1.0
O K:ASP280 4.5 23.9 1.0
CA A:GLY152 4.5 22.9 1.0
C K:ASP280 4.5 30.0 1.0
CA A:LYS151 4.6 24.2 1.0
CG K:MET284 4.6 25.2 1.0
CG K:PHE281 4.6 20.8 1.0
CG K:ASP280 4.7 37.6 1.0
O A:LYS151 4.7 24.8 1.0
OD1 K:ASP280 4.8 36.0 1.0
OD2 K:ASP280 4.8 46.6 1.0
S A:SCN404 4.8 46.7 1.0
CE A:LYS151 5.0 33.0 1.0

Chlorine binding site 2 out of 2 in 6hae

Go back to Chlorine Binding Sites List in 6hae
Chlorine binding site 2 out of 2 in the Crystal Structure of [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B)


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 [Fe]-Hydrogenase (Hmd) From Methanococcus Aeolicus in Complex with Fegp Cofactor and Methenyl- Tetrahydromethanopterin (Close Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl411

b:32.0
occ:1.00
 N K:GLY153 3.4 22.6 1.0
CA A:PHE281 3.8 20.7 1.0
CB K:LYS151 3.9 20.4 1.0
CA K:GLY153 4.0 23.7 1.0
N A:PHE281 4.1 22.8 1.0
CD1 A:PHE281 4.1 22.4 1.0
CB A:PHE281 4.1 20.2 1.0
N K:GLY152 4.1 20.3 1.0
CG K:LYS151 4.2 32.8 1.0
CE A:MET284 4.3 24.6 1.0
CD K:LYS151 4.3 25.9 1.0
C K:LYS151 4.3 23.2 1.0
CB A:MET284 4.3 19.0 1.0
O A:ASP280 4.4 21.3 1.0
C A:ASP280 4.4 25.2 1.0
C K:GLY152 4.5 26.1 1.0
CG A:MET284 4.6 21.8 1.0
CA K:GLY152 4.6 21.4 1.0
CA K:LYS151 4.6 20.0 1.0
CG A:ASP280 4.6 40.9 1.0
CG A:PHE281 4.6 21.4 1.0
OD1 A:ASP280 4.6 34.5 1.0
S K:SCN407 4.7 46.8 1.0
OD2 A:ASP280 4.8 52.9 1.0
O K:LYS151 4.8 21.5 1.0
CE K:LYS151 5.0 28.2 1.0
C A:PHE281 5.0 19.6 1.0

Reference:

G.Huang, T.Wagner, M.D.Wodrich, K.Ataka, E.Bill, U.Ermler, X.Hu, S.Shima. The Atomic-Resolution Crystal Structure of Activated [Fe]-Hydrogenase Nat Catal 2019.
ISSN: ESSN 2520-1158
DOI: 10.1038/S41929-019-0289-4
Page generated: Sun Jul 28 00:42:39 2024

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