Iron in PDB 5j53: The Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase

The structure of The Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase, PDB code: 5j53 was solved by R.P.Mcandrew, J.H.Pereira, N.Sathitsuksanoh, K.L.Sale, B.A.Simmons, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.72 / 1.61
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.422, 101.338, 144.521, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.8

The binding sites of Iron atom in the The Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase (pdb code 5j53). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase, PDB code: 5j53:

Iron binding site 1 out of 1 in the The Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.5 occ:0.78 NE2 A:HIS218 2.0 24.3 1.0 NE2 A:HIS476 2.0 22.2 1.0 NE2 A:HIS284 2.0 22.1 1.0 NE2 A:HIS167 2.1 26.1 1.0 O2 A:OXY502 2.5 68.2 1.0 O1 A:OXY502 2.6 44.0 1.0 CE1 A:HIS476 2.9 20.4 1.0 CD2 A:HIS284 2.9 21.9 1.0 CE1 A:HIS218 2.9 26.4 1.0 CE1 A:HIS167 3.0 25.8 1.0 CD2 A:HIS218 3.0 20.9 1.0 CD2 A:HIS476 3.0 21.4 1.0 HE1 A:HIS476 3.0 24.5 1.0 HD2 A:HIS284 3.1 26.3 1.0 CE1 A:HIS284 3.1 24.9 1.0 HE1 A:HIS167 3.1 30.9 1.0 HE1 A:HIS218 3.1 31.6 1.0 HD2 A:HIS218 3.2 25.1 1.0 CD2 A:HIS167 3.2 20.9 1.0 HD2 A:HIS476 3.3 25.6 1.0 HE1 A:HIS284 3.3 29.9 1.0 HD2 A:HIS167 3.4 25.1 1.0 ND1 A:HIS476 4.0 23.4 1.0 ND1 A:HIS218 4.0 22.0 1.0 CG A:HIS476 4.1 20.9 1.0 CG A:HIS218 4.1 20.6 1.0 CG A:HIS284 4.1 25.5 1.0 ND1 A:HIS167 4.1 25.6 1.0 ND1 A:HIS284 4.1 23.1 1.0 CG A:HIS167 4.3 22.9 1.0 HG22 A:THR121 4.5 25.9 1.0 HG23 A:THR121 4.5 25.9 1.0 O A:HOH739 4.5 38.7 1.0 HG21 A:THR121 4.6 25.9 1.0 O A:HOH603 4.6 54.9 1.0 HD1 A:HIS476 4.7 28.1 1.0 CG2 A:THR121 4.7 21.6 1.0 HD1 A:HIS218 4.8 26.4 1.0 HD22 A:LEU475 4.8 33.5 1.0 HB2 A:ASP219 4.9 22.8 1.0 HD1 A:HIS167 4.9 30.7 1.0 HE1 A:PHE354 4.9 29.8 1.0 HD1 A:HIS284 4.9 27.7 1.0

R.P.Mcandrew, N.Sathitsuksanoh, M.M.Mbughuni, R.A.Heins, J.H.Pereira, A.George, K.L.Sale, B.G.Fox, B.A.Simmons, P.D.Adams. Structure and Mechanism of NOV1, A Resveratrol-Cleaving Dioxygenase. Proc. Natl. Acad. Sci. V. 113 14324 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27911781
DOI: 10.1073/PNAS.1608917113