Iron in PDB 1fsl: Ferric Soybean Leghemoglobin Complexed with Nicotinate

The structure of Ferric Soybean Leghemoglobin Complexed with Nicotinate, PDB code: 1fsl was solved by P.J.Ellis, J.M.Guss, H.C.Freeman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.690, 56.550, 57.800, 90.00, 109.90, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Ferric Soybean Leghemoglobin Complexed with Nicotinate (pdb code 1fsl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferric Soybean Leghemoglobin Complexed with Nicotinate, PDB code: 1fsl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferric Soybean Leghemoglobin Complexed with Nicotinate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Soybean Leghemoglobin Complexed with Nicotinate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:14.9 occ:1.00 FE A:HEM144 0.0 14.9 1.0 NB A:HEM144 1.9 12.7 1.0 NA A:HEM144 2.0 13.5 1.0 ND A:HEM144 2.1 14.7 1.0 N A:NIO145 2.1 5.2 1.0 NC A:HEM144 2.2 14.3 1.0 NE2 A:HIS92 2.3 10.2 1.0 H1 A:NIO145 2.5 6.1 1.0 C1 A:NIO145 2.7 6.0 1.0 C1B A:HEM144 2.9 12.1 1.0 C4B A:HEM144 2.9 12.3 1.0 C4A A:HEM144 2.9 13.1 1.0 HE1 A:HIS92 3.0 10.0 1.0 CE1 A:HIS92 3.0 9.8 1.0 C1A A:HEM144 3.1 14.0 1.0 C4D A:HEM144 3.1 14.8 1.0 C1D A:HEM144 3.1 14.9 1.0 C1C A:HEM144 3.1 14.2 1.0 C4C A:HEM144 3.2 14.8 1.0 C5 A:NIO145 3.2 5.9 1.0 CHB A:HEM144 3.2 12.3 1.0 CHC A:HEM144 3.4 13.4 1.0 CD2 A:HIS92 3.4 9.8 1.0 CHA A:HEM144 3.5 14.3 1.0 H5 A:NIO145 3.5 5.8 1.0 CHD A:HEM144 3.6 14.4 1.0 HD2 A:HIS92 3.7 9.9 1.0 HD13 A:LEU65 4.0 5.8 1.0 C2 A:NIO145 4.0 6.2 1.0 C2B A:HEM144 4.1 12.1 1.0 C3B A:HEM144 4.1 12.1 1.0 HZ A:PHE44 4.1 14.8 1.0 C3A A:HEM144 4.2 13.3 1.0 C2A A:HEM144 4.2 14.2 1.0 ND1 A:HIS92 4.3 9.8 1.0 HHB A:HEM144 4.3 12.2 1.0 C3D A:HEM144 4.3 14.9 1.0 C2D A:HEM144 4.4 15.1 1.0 C2C A:HEM144 4.4 14.4 1.0 C4 A:NIO145 4.4 6.0 1.0 C3C A:HEM144 4.4 15.0 1.0 CG A:HIS92 4.4 9.8 1.0 HHC A:HEM144 4.5 13.8 1.0 HHA A:HEM144 4.5 14.1 1.0 HHD A:HEM144 4.6 14.3 1.0 HE1 A:PHE44 4.6 14.7 1.0 C3 A:NIO145 4.7 6.5 1.0 HD12 A:LEU88 4.8 10.9 1.0 HD12 A:LEU65 4.8 5.8 1.0 CD1 A:LEU65 4.9 5.7 1.0 HG12 A:VAL91 4.9 9.3 1.0 O1 A:NIO145 5.0 5.2 1.0

Iron binding site 2 out of 2 in the Ferric Soybean Leghemoglobin Complexed with Nicotinate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferric Soybean Leghemoglobin Complexed with Nicotinate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:9.3 occ:1.00 FE B:HEM144 0.0 9.3 1.0 ND B:HEM144 1.9 10.5 1.0 NC B:HEM144 2.0 10.6 1.0 NB B:HEM144 2.0 9.4 1.0 NA B:HEM144 2.1 10.3 1.0 NE2 B:HIS92 2.2 5.2 1.0 N B:NIO145 2.3 4.0 1.0 HD2 B:HIS92 2.9 5.4 1.0 H1 B:NIO145 2.9 5.1 1.0 C1D B:HEM144 2.9 10.6 1.0 CD2 B:HIS92 2.9 5.7 1.0 C4D B:HEM144 2.9 11.3 1.0 C4C B:HEM144 3.0 10.7 1.0 C1 B:NIO145 3.0 4.8 1.0 C4B B:HEM144 3.0 9.3 1.0 C1C B:HEM144 3.1 10.1 1.0 C1B B:HEM144 3.1 9.4 1.0 C1A B:HEM144 3.2 10.7 1.0 C4A B:HEM144 3.2 10.5 1.0 CHD B:HEM144 3.3 10.4 1.0 C5 B:NIO145 3.4 4.8 1.0 CE1 B:HIS92 3.4 5.8 1.0 CHA B:HEM144 3.4 10.7 1.0 CHC B:HEM144 3.4 9.6 1.0 CHB B:HEM144 3.5 9.9 1.0 H5 B:NIO145 3.6 4.7 1.0 HE1 B:HIS92 3.8 5.8 1.0 C2D B:HEM144 4.1 10.8 1.0 C3D B:HEM144 4.1 11.5 1.0 CG B:HIS92 4.2 6.1 1.0 C3C B:HEM144 4.2 10.4 1.0 C2C B:HEM144 4.3 10.2 1.0 C3B B:HEM144 4.3 9.3 1.0 C2B B:HEM144 4.3 9.3 1.0 HZ B:PHE44 4.3 7.5 1.0 C2A B:HEM144 4.4 11.3 1.0 HHD B:HEM144 4.4 10.1 1.0 C2 B:NIO145 4.4 5.4 1.0 C3A B:HEM144 4.4 10.7 1.0 ND1 B:HIS92 4.4 5.8 1.0 HE1 B:PHE44 4.4 8.2 1.0 HHA B:HEM144 4.5 10.1 1.0 HHC B:HEM144 4.5 9.7 1.0 HHB B:HEM144 4.6 9.7 1.0 C4 B:NIO145 4.6 4.8 1.0 HD11 B:LEU65 4.7 8.9 1.0 HG23 B:VAL97 4.9 12.6 1.0 HG12 B:VAL91 4.9 8.7 1.0 HD12 B:ILE140 4.9 17.2 1.0

P.J.Ellis, C.A.Appleby, J.M.Guss, W.N.Hunter, D.L.Ollis, H.C.Freeman. Structure of Ferric Soybean Leghemoglobin A Nicotinate at 2.3 A Resolution. Acta Crystallogr.,Sect.D V. 53 302 1997.
ISSN: ISSN 0907-4449
PubMed: 15299933
DOI: 10.1107/S0907444997000292