Iron in PDB 6m9r: Crystal Structure of Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate

The structure of Crystal Structure of Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate, PDB code: 6m9r was solved by R.Rohac, A.J.Mitchell, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.08 / 1.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.950, 107.730, 150.540, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.1

The binding sites of Iron atom in the Crystal Structure of Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate (pdb code 6m9r). 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 Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate, PDB code: 6m9r:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate


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 Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:19.8 occ:1.00 NH2 A:J9Y501 2.0 25.6 1.0 NE2 A:HIS409 2.1 22.5 1.0 NE2 A:HIS407 2.2 19.8 1.0 NE2 A:HIS448 2.2 19.3 1.0 O1 A:J9Y501 2.3 25.7 1.0 CZ A:J9Y501 2.9 26.5 1.0 CE1 A:HIS409 3.0 23.3 1.0 NE A:J9Y501 3.0 27.4 1.0 CD2 A:HIS407 3.0 20.1 1.0 CD2 A:HIS409 3.1 21.6 1.0 CE1 A:HIS448 3.2 18.6 1.0 CE1 A:HIS407 3.2 20.1 1.0 CD2 A:HIS448 3.2 18.6 1.0 ND1 A:HIS409 4.1 23.6 1.0 NH1 A:J9Y501 4.2 26.3 1.0 CG A:HIS409 4.2 22.3 1.0 CG A:HIS407 4.2 19.3 1.0 ND1 A:HIS407 4.2 19.4 1.0 O A:HOH642 4.3 34.1 1.0 ND1 A:HIS448 4.3 17.8 1.0 CG A:HIS448 4.3 18.0 1.0 O A:HOH828 4.3 34.9 1.0 CD A:J9Y501 4.5 28.4 1.0 CD1 A:ILE442 4.6 21.2 1.0 C1 A:J9Y501 4.8 26.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate


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 Sznf From Streptomyces Achromogenes Var. Streptozoticus Nrrl 2697 with A Bound N(Delta)-Hydroxy-N(Omega)- Methyl-L-Arginine Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:25.5 occ:1.00 NE2 B:HIS409 2.0 29.0 1.0 NH2 B:J9Y501 2.2 27.9 0.7 NE2 B:HIS407 2.2 25.4 1.0 O1 B:J9Y501 2.2 27.8 0.7 NE2 B:HIS448 2.2 23.8 1.0 CE1 B:HIS409 2.9 30.9 1.0 CZ B:J9Y501 3.0 28.2 0.7 CD2 B:HIS409 3.0 28.9 1.0 NE B:J9Y501 3.0 29.4 0.7 CD2 B:HIS407 3.1 25.4 1.0 CE1 B:HIS448 3.1 23.0 1.0 CE1 B:HIS407 3.2 25.5 1.0 CD2 B:HIS448 3.2 23.2 1.0 ND1 B:HIS409 4.0 30.6 1.0 CG B:HIS409 4.1 29.2 1.0 O B:HOH818 4.2 43.9 1.0 CG B:HIS407 4.2 24.1 1.0 NH1 B:J9Y501 4.3 28.2 0.7 ND1 B:HIS448 4.3 21.5 1.0 O B:HOH680 4.3 41.4 1.0 ND1 B:HIS407 4.3 24.8 1.0 CG B:HIS448 4.3 21.6 1.0 CD B:J9Y501 4.4 30.9 0.7 CD1 B:ILE442 4.6 26.8 1.0 C1 B:J9Y501 4.9 28.1 0.7

T.L.Ng, R.Rohac, A.J.Mitchell, A.K.Boal, E.P.Balskus. An N-Nitrosating Metalloenzyme Constructs the Pharmacophore of Streptozotocin. Nature V. 566 94 2019.
ISSN: ESSN 1476-4687
PubMed: 30728519
DOI: 10.1038/S41586-019-0894-Z