Iron in PDB 7b95: Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine

All present enzymatic activity of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine:
1.2.7.4;

The structure of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine, PDB code: 7b95 was solved by J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.11 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.148, 108.065, 82.237, 90, 94.8, 90
R / Rfree (%)	13.3 / 16.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Iron atom in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine (pdb code 7b95). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 18 binding sites of Iron where determined in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine, PDB code: 7b95:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:12.4 occ:1.00 FE1 A:FES1001 0.0 12.4 1.0 S2 A:FES1001 2.2 12.8 1.0 S1 A:FES1001 2.3 12.6 1.0 SG B:CYS41 2.3 13.0 1.0 SG B:CYS38 2.3 13.1 1.0 FE2 A:FES1001 2.7 12.5 1.0 HB3 B:CYS38 3.0 15.0 1.0 CB B:CYS38 3.1 12.5 1.0 HB2 B:CYS38 3.2 15.0 1.0 H B:CYS41 3.3 13.6 1.0 HB2 B:CYS41 3.4 14.7 1.0 HH21 B:ARG56 3.5 17.2 1.0 CB B:CYS41 3.5 12.2 1.0 HG B:SER46 3.5 16.6 1.0 HH21 A:ARG56 3.6 16.8 1.0 HB2 B:TYR40 3.8 14.1 1.0 N B:CYS41 3.9 11.3 1.0 HE21 A:GLN48 4.0 16.6 1.0 HB3 B:SER46 4.0 16.0 1.0 HE B:ARG56 4.1 15.1 1.0 CA B:CYS41 4.3 11.4 1.0 HB3 B:CYS41 4.3 14.7 1.0 OG B:SER46 4.3 13.8 1.0 O A:HOH1394 4.3 38.9 1.0 NH2 A:ARG56 4.3 14.0 1.0 HE A:ARG56 4.3 15.1 1.0 HB2 B:SER46 4.3 16.0 1.0 NH2 B:ARG56 4.3 14.3 1.0 SG A:CYS41 4.4 12.4 1.0 CB B:SER46 4.4 13.3 1.0 SG A:CYS38 4.5 13.0 1.0 HA B:CYS41 4.5 13.7 1.0 CA B:CYS38 4.6 12.9 1.0 HH22 A:ARG56 4.6 16.8 1.0 NE2 A:GLN48 4.6 13.8 1.0 CB B:TYR40 4.7 11.7 1.0 HE21 B:GLN48 4.7 17.0 1.0 HB2 A:CYS38 4.8 16.1 1.0 HE22 B:GLN48 4.8 17.0 1.0 HH22 B:ARG56 4.8 17.2 1.0 HB2 A:SER46 4.8 15.6 1.0 NE B:ARG56 4.9 12.5 1.0 HE22 A:GLN48 4.9 16.6 1.0 HG A:SER46 4.9 16.5 1.0 HB3 B:TYR40 4.9 14.1 1.0 HB2 A:PRO54 4.9 18.1 1.0 H B:TYR40 4.9 14.9 1.0 HA B:CYS38 4.9 15.6 1.0 NE A:ARG56 4.9 12.6 1.0 C B:TYR40 4.9 11.8 1.0 O B:CYS38 5.0 13.9 1.0

Iron binding site 2 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:12.5 occ:1.00 FE2 A:FES1001 0.0 12.5 1.0 S1 A:FES1001 2.2 12.6 1.0 S2 A:FES1001 2.2 12.8 1.0 SG A:CYS38 2.3 13.0 1.0 SG A:CYS41 2.3 12.4 1.0 FE1 A:FES1001 2.7 12.4 1.0 HB3 A:CYS38 3.1 16.1 1.0 CB A:CYS38 3.1 13.4 1.0 HB2 A:CYS38 3.2 16.1 1.0 H A:CYS41 3.2 15.1 1.0 HH21 A:ARG56 3.4 16.8 1.0 HB2 A:CYS41 3.4 15.1 1.0 HG A:SER46 3.5 16.5 1.0 CB A:CYS41 3.5 12.6 1.0 HH21 B:ARG56 3.7 17.2 1.0 HB2 A:TYR40 3.7 15.1 1.0 N A:CYS41 3.9 12.5 1.0 HB3 A:SER46 4.0 15.6 1.0 HE21 B:GLN48 4.1 17.0 1.0 O B:HOH1079 4.2 20.7 1.0 NH2 A:ARG56 4.2 14.0 1.0 OG A:SER46 4.2 13.7 1.0 HE A:ARG56 4.3 15.1 1.0 HB3 A:CYS41 4.3 15.1 1.0 CA A:CYS41 4.3 11.4 1.0 HE B:ARG56 4.3 15.1 1.0 HB2 A:SER46 4.3 15.6 1.0 SG B:CYS41 4.3 13.0 1.0 NH2 B:ARG56 4.3 14.3 1.0 CB A:SER46 4.4 13.0 1.0 SG B:CYS38 4.5 13.1 1.0 HA A:CYS41 4.6 13.7 1.0 HE21 A:GLN48 4.6 16.6 1.0 CA A:CYS38 4.6 12.2 1.0 HE22 A:GLN48 4.6 16.6 1.0 CB A:TYR40 4.7 12.5 1.0 HH22 A:ARG56 4.7 16.8 1.0 NE2 B:GLN48 4.7 14.2 1.0 HH22 B:ARG56 4.7 17.2 1.0 H A:TYR40 4.8 15.6 1.0 HB2 B:SER46 4.8 16.0 1.0 HB2 B:CYS38 4.8 15.0 1.0 HG B:SER46 4.8 16.6 1.0 NE B:ARG56 4.9 12.5 1.0 HE22 B:GLN48 4.9 17.0 1.0 HB3 A:TYR40 4.9 15.1 1.0 NE2 A:GLN48 4.9 13.8 1.0 C A:TYR40 4.9 12.5 1.0 HA A:CYS38 4.9 14.7 1.0 HB2 B:PRO54 5.0 18.9 1.0 NE A:ARG56 5.0 12.6 1.0

Iron binding site 3 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:11.8 occ:1.00 FE1 A:SF41002 0.0 11.8 1.0 S4 A:SF41002 2.3 12.4 1.0 SG A:CYS55 2.3 12.3 1.0 S3 A:SF41002 2.3 12.3 1.0 S2 A:SF41002 2.3 11.9 1.0 FE4 A:SF41002 2.7 11.8 1.0 FE2 A:SF41002 2.7 11.5 1.0 FE3 A:SF41002 2.8 12.1 1.0 HB2 A:CYS55 2.8 14.9 1.0 CB A:CYS55 3.1 12.4 1.0 H A:VAL67 3.3 15.1 1.0 HB3 A:CYS55 3.7 14.9 1.0 HA2 A:GLY53 3.8 16.3 1.0 HB3 A:CYS47 3.8 13.4 1.0 HA3 A:GLY53 3.9 16.3 1.0 S1 A:SF41002 3.9 11.7 1.0 HA3 A:GLY66 3.9 16.4 1.0 N A:VAL67 4.0 12.6 1.0 HB A:VAL67 4.1 14.8 1.0 H A:CYS68 4.1 15.0 1.0 H A:CYS55 4.1 13.7 1.0 CA A:GLY53 4.1 13.6 1.0 N A:GLY53 4.2 12.1 1.0 H A:GLY53 4.3 14.6 1.0 HG23 A:VAL67 4.3 16.0 1.0 CA A:CYS55 4.3 12.3 1.0 N A:CYS55 4.4 11.4 1.0 HA2 A:GLY66 4.4 16.4 1.0 HB2 A:ASN52 4.5 15.8 1.0 CA A:GLY66 4.5 13.7 1.0 SG A:CYS50 4.6 12.1 1.0 C A:ASN52 4.6 13.2 1.0 CB A:CYS47 4.6 11.2 1.0 SG A:CYS47 4.7 11.7 1.0 C A:GLY66 4.7 12.9 1.0 HA A:CYS55 4.8 14.8 1.0 CB A:VAL67 4.8 12.3 1.0 HB3 A:ASN52 4.8 15.8 1.0 SG A:CYS68 4.8 12.2 1.0 HE2 A:MET75 4.9 14.8 1.0 O A:ASN52 4.9 14.9 1.0 O A:CYS47 4.9 12.2 1.0 H A:CYS50 4.9 13.0 1.0 N A:CYS68 4.9 12.5 1.0 CG2 A:VAL67 4.9 13.3 1.0 CA A:VAL67 5.0 13.0 1.0

Iron binding site 4 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:11.5 occ:1.00 FE2 A:SF41002 0.0 11.5 1.0 SG A:CYS50 2.3 12.1 1.0 S3 A:SF41002 2.3 12.3 1.0 S4 A:SF41002 2.3 12.4 1.0 S1 A:SF41002 2.3 11.7 1.0 FE1 A:SF41002 2.7 11.8 1.0 FE4 A:SF41002 2.7 11.8 1.0 FE3 A:SF41002 2.7 12.1 1.0 H A:CYS50 3.2 13.0 1.0 HB3 A:CYS50 3.3 14.0 1.0 CB A:CYS50 3.4 11.6 1.0 N A:CYS50 3.6 10.8 1.0 HB2 A:ASN52 3.8 15.8 1.0 CA A:CYS50 3.9 10.6 1.0 HG21 A:THR196 3.9 17.2 1.0 H A:GLY53 3.9 14.6 1.0 S2 A:SF41002 3.9 11.9 1.0 HG1 A:THR196 3.9 16.1 1.0 HG23 A:THR196 4.0 17.2 1.0 O A:CYS50 4.2 12.5 1.0 HB2 A:CYS50 4.2 14.0 1.0 C A:CYS50 4.2 10.8 1.0 O A:HOH1347 4.2 24.0 1.0 OG1 A:THR196 4.2 13.4 1.0 H A:ASN52 4.3 15.1 1.0 N A:GLY53 4.3 12.1 1.0 HB3 A:CYS68 4.4 14.4 1.0 HB2 A:LEU49 4.4 13.5 1.0 CG2 A:THR196 4.4 14.4 1.0 H A:LEU49 4.4 12.7 1.0 C A:LEU49 4.4 12.2 1.0 HA3 A:GLY53 4.5 16.3 1.0 CB A:ASN52 4.7 13.1 1.0 H A:CYS68 4.7 15.0 1.0 SG A:CYS68 4.8 12.2 1.0 HA A:CYS50 4.8 12.8 1.0 N A:ASN52 4.8 12.5 1.0 SG A:CYS55 4.8 12.3 1.0 HH22 A:ARG78 4.8 14.2 1.0 SG A:CYS47 4.8 11.7 1.0 CA A:GLY53 4.9 13.6 1.0 N A:LEU49 4.9 10.6 1.0 C A:ASN52 4.9 13.2 1.0 HB3 A:ASN52 4.9 15.8 1.0 HD22 A:ASN52 5.0 26.9 1.0 HB A:VAL67 5.0 14.8 1.0 CB A:THR196 5.0 12.2 1.0 HE3 B:MET555 5.0 21.9 0.4 CA A:LEU49 5.0 10.8 1.0

Iron binding site 5 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:12.1 occ:1.00 FE3 A:SF41002 0.0 12.1 1.0 SG A:CYS68 2.3 12.2 1.0 S2 A:SF41002 2.3 11.9 1.0 S4 A:SF41002 2.3 12.4 1.0 S1 A:SF41002 2.3 11.7 1.0 FE2 A:SF41002 2.7 11.5 1.0 FE4 A:SF41002 2.8 11.8 1.0 FE1 A:SF41002 2.8 11.8 1.0 H A:CYS68 3.1 15.0 1.0 HB3 A:CYS68 3.1 14.4 1.0 CB A:CYS68 3.3 12.0 1.0 HH22 A:ARG78 3.4 14.2 1.0 HG22 A:ILE70 3.6 15.3 1.0 HG23 A:THR196 3.8 17.2 1.0 N A:CYS68 3.9 12.5 1.0 HA3 A:GLY66 3.9 16.4 1.0 S3 A:SF41002 4.0 12.3 1.0 HG21 A:ILE70 4.0 15.3 1.0 HB2 A:CYS68 4.0 14.4 1.0 CA A:CYS68 4.2 11.8 1.0 H A:VAL67 4.2 15.1 1.0 CG2 A:ILE70 4.2 12.8 1.0 NH2 A:ARG78 4.3 11.8 1.0 O A:HOH1352 4.3 13.2 1.0 HH12 A:ARG78 4.5 15.2 1.0 N A:VAL67 4.5 12.6 1.0 H A:ILE70 4.5 15.0 1.0 HG21 A:THR196 4.5 17.2 1.0 CG2 A:THR196 4.6 14.4 1.0 SG A:CYS50 4.6 12.1 1.0 HH21 A:ARG78 4.6 14.2 1.0 HB A:ILE70 4.6 14.6 1.0 HG1 A:THR196 4.7 16.1 1.0 CA A:GLY66 4.7 13.7 1.0 C A:GLY66 4.7 12.9 1.0 O A:HOH1347 4.7 24.0 1.0 SG A:CYS55 4.8 12.3 1.0 HB A:VAL67 4.8 14.8 1.0 SG A:CYS47 4.8 11.7 1.0 H A:GLY69 4.8 13.8 1.0 HB2 A:CYS55 4.9 14.9 1.0 HA A:CYS68 4.9 14.1 1.0 HG23 A:ILE70 5.0 15.3 1.0

Iron binding site 6 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:11.8 occ:1.00 FE4 A:SF41002 0.0 11.8 1.0 S1 A:SF41002 2.3 11.7 1.0 SG A:CYS47 2.3 11.7 1.0 S3 A:SF41002 2.3 12.3 1.0 S2 A:SF41002 2.3 11.9 1.0 FE1 A:SF41002 2.7 11.8 1.0 FE2 A:SF41002 2.7 11.5 1.0 FE3 A:SF41002 2.8 12.1 1.0 HB3 A:CYS47 2.8 13.4 1.0 HH22 A:ARG78 3.1 14.2 1.0 CB A:CYS47 3.1 11.2 1.0 H A:LEU49 3.3 12.7 1.0 HB2 A:LEU49 3.5 13.5 1.0 HH21 A:ARG78 3.6 14.2 1.0 NH2 A:ARG78 3.6 11.8 1.0 HB2 A:CYS47 3.7 13.4 1.0 HB2 A:CYS55 3.9 14.9 1.0 S4 A:SF41002 3.9 12.4 1.0 H A:CYS50 4.0 13.0 1.0 N A:LEU49 4.1 10.6 1.0 C A:CYS47 4.3 11.2 1.0 HE2 A:MET75 4.3 14.8 1.0 CA A:CYS47 4.3 10.8 1.0 CB A:LEU49 4.4 11.2 1.0 O A:CYS47 4.5 12.2 1.0 HG A:LEU49 4.5 14.3 1.0 HG1 A:THR196 4.5 16.1 1.0 N A:CYS50 4.6 10.8 1.0 HG21 A:ILE70 4.6 15.3 1.0 CA A:LEU49 4.6 10.8 1.0 CB A:CYS55 4.7 12.4 1.0 N A:GLN48 4.7 11.2 1.0 SG A:CYS55 4.7 12.3 1.0 CZ A:ARG78 4.8 11.9 1.0 HA A:CYS47 4.8 12.9 1.0 H A:CYS55 4.8 13.7 1.0 SG A:CYS68 4.9 12.2 1.0 H A:GLN48 4.9 13.5 1.0 HG22 A:ILE70 4.9 15.3 1.0 SG A:CYS50 4.9 12.1 1.0 HD12 A:LEU49 4.9 16.7 1.0 C A:LEU49 5.0 12.2 1.0 HH12 A:ARG78 5.0 15.2 1.0 HA3 A:GLY53 5.0 16.3 1.0 CG A:LEU49 5.0 11.9 1.0

Iron binding site 7 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1003 b:13.2 occ:0.50 FE1 A:SF31003 0.0 13.2 0.5 S3 A:SF31003 2.2 14.7 0.5 S1 A:SF31003 2.3 14.1 0.5 S2 A:SF31003 2.3 14.6 0.5 SG A:CYS480 2.4 17.8 0.8 FE3 A:SF31003 2.6 14.5 0.5 FE4 A:SF31003 2.8 14.3 0.5 HB2 A:CYS480 3.2 18.6 0.8 CB A:CYS480 3.4 15.4 0.8 H A:CYS480 3.5 21.8 0.8 HD1 A:TRP317 3.6 21.9 1.0 HA A:CYS449 3.7 22.5 0.9 HE1 A:HIS259 3.8 28.3 0.9 HG3 A:GLU295 3.8 21.6 0.7 HB3 A:CYS449 3.9 23.1 0.9 HB3 A:TRP317 4.0 23.2 1.0 FE7 A:SF31003 4.0 13.9 0.5 O A:HOH1109 4.0 28.5 0.9 HG2 A:GLU295 4.1 21.6 0.7 HB3 A:CYS480 4.1 18.6 0.8 N A:CYS480 4.2 18.1 0.8 CG A:GLU295 4.3 18.0 0.7 OE1 A:GLU556 4.4 19.8 0.6 CA A:CYS480 4.4 17.7 0.8 CD1 A:TRP317 4.4 18.2 1.0 CE1 A:HIS259 4.5 23.6 0.9 CA A:CYS449 4.5 18.7 0.9 CB A:CYS449 4.5 19.3 0.9 H A:TRP317 4.5 22.4 1.0 HA A:CYS480 4.6 21.3 0.8 H A:THR450 4.6 16.0 1.0 HB A:ILE294 4.7 20.6 0.7 HE1 A:HIS483 4.7 31.3 1.0 HB2 A:ASN316 4.7 22.9 1.0 NE2 A:HIS259 4.7 22.8 0.9 SG A:CYS338 4.8 20.2 0.9 SG A:CYS449 4.8 21.2 0.9 CB A:TRP317 4.9 19.3 1.0 CD A:GLU295 4.9 18.8 0.7 OE2 A:GLU295 5.0 19.6 0.7 CG A:TRP317 5.0 17.1 1.0 HB2 A:CYS338 5.0 26.1 0.9

Iron binding site 8 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1003 b:14.5 occ:0.50 FE3 A:SF31003 0.0 14.5 0.5 O A:HOH1109 2.2 28.5 0.9 S1 A:SF31003 2.2 14.1 0.5 S3 A:SF31003 2.2 14.7 0.5 SG A:CYS338 2.4 20.2 0.9 FE1 A:SF31003 2.6 13.2 0.5 HE1 A:HIS259 3.3 28.3 0.9 HD22 A:ASN337 3.3 30.9 1.0 HB2 A:CYS338 3.4 26.1 0.9 CB A:CYS338 3.5 21.8 0.9 FE4 A:SF31003 3.5 14.3 0.5 H A:CYS338 3.5 26.2 0.9 HE3 A:MET555 3.6 18.4 0.6 HB3 A:TRP317 3.6 23.2 1.0 HE2 A:MET555 3.8 20.6 0.4 N A:CYS338 3.8 21.9 0.9 HB2 A:ASN337 3.8 23.8 1.0 OE1 A:GLU556 3.9 19.8 0.6 HG2 A:GLU556 3.9 23.2 0.6 HD1 A:TRP317 4.0 21.9 1.0 HE1 A:MET555 4.0 20.6 0.4 HE1 A:MET555 4.0 18.4 0.6 HG2 A:GLU556 4.0 22.8 0.5 HG3 A:GLU556 4.1 23.2 0.6 CA A:CYS338 4.2 21.2 0.9 CE A:MET555 4.2 15.3 0.6 ND2 A:ASN337 4.2 25.7 1.0 S2 A:SF31003 4.2 14.6 0.5 CE1 A:HIS259 4.2 23.6 0.9 HG3 A:GLU556 4.2 22.8 0.5 CD1 A:TRP317 4.2 18.2 1.0 HB3 A:CYS338 4.3 26.1 0.9 HE2 A:MET555 4.3 18.4 0.6 CB A:TRP317 4.4 19.3 1.0 HA A:CYS338 4.4 25.5 0.9 CE A:MET555 4.4 17.1 0.4 CG A:GLU556 4.4 19.4 0.6 CG A:TRP317 4.4 17.1 1.0 C A:ASN337 4.4 21.6 1.0 HB2 A:TRP317 4.5 23.2 1.0 SG A:CYS480 4.5 17.8 0.8 CG A:GLU556 4.5 19.0 0.5 CD A:GLU556 4.6 21.0 0.6 HD21 A:ASN337 4.7 30.9 1.0 HD22 B:ASN197 4.7 18.1 1.0 CB A:ASN337 4.7 19.8 1.0 HD12 A:ILE294 4.7 21.8 0.7 HE3 A:MET555 4.8 20.6 0.4 O A:ASN337 4.8 20.2 1.0 HB3 A:CYS449 4.9 23.1 0.9 CD A:GLU556 4.9 20.4 0.5

Iron binding site 9 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1003 b:14.3 occ:0.50 FE4 A:SF31003 0.0 14.3 0.5 OE1 A:GLU556 2.1 19.8 0.6 S3 A:SF31003 2.2 14.7 0.5 S2 A:SF31003 2.3 14.6 0.5 SG A:CYS449 2.4 21.2 0.9 FE1 A:SF31003 2.8 13.2 0.5 CD A:GLU556 3.0 21.0 0.6 HB3 A:CYS449 3.0 23.1 0.9 OE1 A:GLU556 3.0 21.1 0.5 CB A:CYS449 3.2 19.3 0.9 HG3 A:GLU556 3.4 22.8 0.5 HG3 A:GLU556 3.4 23.2 0.6 HA A:CYS449 3.4 22.5 0.9 CD A:GLU556 3.5 20.4 0.5 FE3 A:SF31003 3.5 14.5 0.5 O A:HOH1109 3.7 28.5 0.9 CG A:GLU556 3.7 19.4 0.6 OE2 A:GLU556 3.8 22.7 0.6 CA A:CYS449 3.8 18.7 0.9 CG A:GLU556 3.9 19.0 0.5 FE7 A:SF31003 4.0 13.9 0.5 HG2 A:GLU556 4.0 23.2 0.6 HB2 A:CYS449 4.1 23.1 0.9 HG2 A:GLU556 4.1 22.8 0.5 OE2 A:GLU556 4.2 21.4 0.5 H A:GLU556 4.2 17.2 0.5 H A:GLU556 4.2 17.2 0.6 HB3 A:MET555 4.2 15.6 0.6 HB2 A:LYS558 4.2 23.6 1.0 HB2 A:ALA559 4.3 22.9 1.0 HE3 A:MET555 4.3 18.4 0.6 HB2 A:CYS480 4.3 18.6 0.8 HB3 A:MET555 4.4 15.8 0.4 N A:CYS449 4.4 18.7 0.9 HE2 A:MET555 4.5 20.6 0.4 S1 A:SF31003 4.5 14.1 0.5 H A:CYS480 4.6 21.8 0.8 HE1 A:HIS259 4.6 28.3 0.9 H A:ALA559 4.6 21.9 1.0 HD3 A:LYS558 4.7 28.4 1.0 H A:CYS449 4.7 22.5 0.9 H A:MET555 4.7 14.4 0.4 H A:THR450 4.7 16.0 1.0 H A:MET555 4.7 14.4 0.6 SG A:CYS480 4.8 17.8 0.8 O A:ASN448 4.8 19.2 1.0 N A:GLU556 5.0 14.4 1.0 C A:ASN448 5.0 20.4 1.0

Iron binding site 10 out of 18 in the Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Coos-V with Partially Oxidized Hybrid Cluster By Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1003 b:13.9 occ:0.50 FE7 A:SF31003 0.0 13.9 0.5 OE2 A:GLU295 2.1 19.6 0.7 NE2 A:HIS259 2.2 22.8 0.9 SG A:CYS521 2.3 17.4 0.6 S2 A:SF31003 2.3 14.6 0.5 HG3 A:GLU295 2.5 21.6 0.7 CD A:GLU295 2.9 18.8 0.7 H A:CYS521 3.1 20.5 0.6 CG A:GLU295 3.2 18.0 0.7 CD2 A:HIS259 3.2 23.2 0.9 CE1 A:HIS259 3.2 23.6 0.9 HB3 A:CYS521 3.3 20.3 0.6 HD2 A:HIS259 3.4 27.9 0.9 HE1 A:HIS259 3.4 28.3 0.9 CB A:CYS521 3.4 16.9 0.6 HA2 A:GLY479 3.7 20.0 0.7 HG2 A:GLU295 3.8 21.6 0.7 HE2 A:LYS558 3.9 28.0 1.0 N A:CYS521 3.9 17.0 0.6 FE1 A:SF31003 4.0 13.2 0.5 FE4 A:SF31003 4.0 14.3 0.5 OE1 A:GLU295 4.1 19.4 0.7 HE3 A:LYS558 4.1 28.0 1.0 HB A:THR520 4.1 20.8 0.8 HB3 A:GLU295 4.2 20.5 0.7 HB2 A:CYS521 4.2 20.3 0.6 CB A:GLU295 4.2 17.1 0.7 H A:CYS480 4.2 21.8 0.8 CA A:CYS521 4.3 16.2 0.6 ND1 A:HIS259 4.3 23.6 0.9 HD3 A:LYS558 4.3 28.4 1.0 CG A:HIS259 4.4 23.3 0.9 HB2 A:GLU295 4.4 20.5 0.7 CE A:LYS558 4.4 23.3 1.0 H A:THR522 4.4 19.7 0.8 OE1 A:GLU556 4.5 19.8 0.6 HA3 A:GLY479 4.5 20.0 0.7 CA A:GLY479 4.5 16.6 0.7 S1 A:SF31003 4.6 14.1 0.5 HB2 A:LYS558 4.6 23.6 1.0 HB3 A:LYS558 4.7 23.6 1.0 HH A:TYR91 4.8 24.2 1.0 O A:HOH1109 4.9 28.5 0.9 HA A:THR520 4.9 21.0 0.8 N A:CYS480 4.9 18.1 0.8 CD A:LYS558 4.9 23.7 1.0

J.H.Jeoung, J.Fesseler, L.Domnik, F.Klemke, M.Sinnreich, C.Teutloff, H.Dobbek. A Morphing [4FE-3S-No]-Cluster Within A Carbon Monoxide Dehydrogenase Scaffold. Angew.Chem.Int.Ed.Engl. V. 61 17000 2022.
ISSN: ESSN 1521-3773
PubMed: 35133707
DOI: 10.1002/ANIE.202117000