Atomistry » Iron » PDB 6h6t-6hqq » 6hae
Atomistry »
  Iron »
    PDB 6h6t-6hqq »
      6hae »

Iron 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
Chlorine (Cl) 2 atoms
Sodium (Na) 2 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6hae

Go back to Iron Binding Sites List in 6hae
Iron 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 Iron with other atoms in the Fe 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:Fe415

b:30.5
occ:1.00
FE A:FE9415 0.0 30.5 1.0
C1F A:FE9415 1.8 31.7 1.0
C2F A:FE9415 1.8 34.4 1.0
C8 A:FE9415 1.9 27.8 1.0
N1 A:FE9415 2.0 26.7 1.0
SG A:CYS176 2.4 23.6 1.0
O18 A:FE9415 2.7 25.9 1.0
C6 A:FE9415 2.8 23.9 1.0
C7 A:FE9415 2.9 22.0 1.0
C2 A:FE9415 3.0 28.9 1.0
O1F A:FE9415 3.0 38.0 1.0
O2F A:FE9415 3.0 31.7 1.0
O2 A:FE9415 3.2 28.4 1.0
CB A:CYS176 3.5 21.1 1.0
C10 A:E4M402 3.9 24.2 1.0
OH4 A:E4M402 4.0 21.3 1.0
CZ2 A:TRP148 4.2 22.9 1.0
C5 A:FE9415 4.2 21.8 1.0
CH2 A:TRP148 4.2 23.6 1.0
C3 A:FE9415 4.3 24.1 1.0
N5 A:E4M402 4.5 22.1 1.0
N10 A:E4M402 4.5 27.4 1.0
C15 A:E4M402 4.5 20.2 1.0
O A:CYS204 4.6 19.4 1.0
C4 A:E4M402 4.7 19.1 1.0
CA A:CYS176 4.7 20.2 1.0
N A:CYS176 4.8 18.4 1.0
C4 A:FE9415 4.8 24.6 1.0
C4A A:E4M402 4.9 19.6 1.0
C14 A:E4M402 4.9 18.2 1.0

Iron binding site 2 out of 2 in 6hae

Go back to Iron Binding Sites List in 6hae
Iron 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 Iron with other atoms in the Fe 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:Fe415

b:30.3
occ:1.00
FE K:FE9415 0.0 30.3 1.0
C1F K:FE9415 1.8 26.4 1.0
C2F K:FE9415 1.8 30.1 1.0
C8 K:FE9415 1.9 22.8 1.0
N1 K:FE9415 2.0 24.4 1.0
SG K:CYS176 2.4 21.8 1.0
O18 K:FE9415 2.7 26.3 1.0
C6 K:FE9415 2.9 27.0 1.0
O1F K:FE9415 2.9 33.5 1.0
O2F K:FE9415 2.9 26.6 1.0
C7 K:FE9415 3.0 19.3 1.0
C2 K:FE9415 3.0 23.2 1.0
O2 K:FE9415 3.1 30.0 1.0
CB K:CYS176 3.6 18.3 1.0
C10 K:E4M402 3.9 25.3 1.0
OH4 K:E4M402 4.0 21.9 1.0
CH2 K:TRP148 4.2 20.4 1.0
CZ2 K:TRP148 4.2 21.1 1.0
C5 K:FE9415 4.3 25.3 1.0
C3 K:FE9415 4.3 25.1 1.0
N5 K:E4M402 4.5 21.6 1.0
N10 K:E4M402 4.5 22.0 1.0
O K:CYS204 4.5 22.6 1.0
C15 K:E4M402 4.5 18.1 1.0
C4 K:E4M402 4.6 20.1 1.0
CA K:CYS176 4.7 18.3 1.0
N K:CYS176 4.8 17.5 1.0
C4A K:E4M402 4.8 18.0 1.0
C4 K:FE9415 4.9 22.1 1.0
C14 K:E4M402 4.9 17.6 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 Dec 13 16:28:25 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy