Manganese in PDB 1i5a: Structure of Chea Domain P4 in Complex with Adpcp and Manganese

The structure of Structure of Chea Domain P4 in Complex with Adpcp and Manganese, PDB code: 1i5a was solved by A.M.Bilwes, C.M.Quezada, L.R.Croal, B.R.Crane, M.I.Simon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.89 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.870, 48.730, 87.020, 90.00, 95.10, 90.00
R / Rfree (%)	21.6 / 25.3

The binding sites of Manganese atom in the Structure of Chea Domain P4 in Complex with Adpcp and Manganese (pdb code 1i5a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Chea Domain P4 in Complex with Adpcp and Manganese, PDB code: 1i5a:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Chea Domain P4 in Complex with Adpcp and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Chea Domain P4 in Complex with Adpcp and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn996 b:27.2 occ:1.00 O2B A:ACP998 2.2 27.5 1.0 O A:HOH7 2.4 24.3 1.0 NE2 A:HIS405 2.4 26.1 1.0 OD1 A:ASN409 2.4 16.6 1.0 O2G A:ACP998 2.4 33.6 1.0 O1A A:ACP998 2.4 22.6 1.0 CE1 A:HIS405 2.8 26.0 1.0 PB A:ACP998 3.1 29.1 1.0 O3A A:ACP998 3.3 24.9 1.0 PG A:ACP998 3.3 35.0 1.0 O3G A:ACP998 3.3 35.2 1.0 CG A:ASN409 3.3 18.2 1.0 PA A:ACP998 3.4 23.2 1.0 CD2 A:HIS405 3.5 25.2 1.0 ND2 A:ASN409 3.6 18.5 1.0 C3B A:ACP998 3.7 31.3 1.0 ND1 A:HIS405 4.0 25.7 1.0 O5' A:ACP998 4.1 21.6 1.0 CG A:HIS405 4.3 24.5 1.0 NE2 A:HIS413 4.4 19.4 1.0 O1B A:ACP998 4.4 26.3 1.0 CA A:GLY506 4.5 35.4 1.0 O2A A:ACP998 4.6 22.0 1.0 O1G A:ACP998 4.7 34.6 1.0 CB A:ASN409 4.7 18.1 1.0 CD2 A:HIS413 4.8 18.6 1.0 N A:GLY506 4.9 36.5 1.0 O A:HIS405 5.0 18.0 1.0

Manganese binding site 2 out of 2 in the Structure of Chea Domain P4 in Complex with Adpcp and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Chea Domain P4 in Complex with Adpcp and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn995 b:76.7 occ:1.00 O2B B:ACP999 2.3 42.0 1.0 C3B B:ACP999 2.4 43.2 1.0 PB B:ACP999 2.5 41.3 1.0 O3G B:ACP999 2.5 45.0 1.0 OD1 B:ASN409 2.5 17.7 1.0 O1A B:ACP999 2.8 32.9 1.0 PG B:ACP999 2.8 45.8 1.0 CE1 B:HIS405 3.0 18.1 1.0 O3A B:ACP999 3.1 37.1 1.0 O1G B:ACP999 3.1 44.7 1.0 NE2 B:HIS405 3.2 19.6 1.0 CG B:ASN409 3.5 17.2 1.0 PA B:ACP999 3.5 32.8 1.0 O B:HOH17 3.7 31.1 1.0 ND2 B:ASN409 3.7 16.6 1.0 O5' B:ACP999 3.8 31.6 1.0 O1B B:ACP999 4.0 42.2 1.0 ND1 B:HIS405 4.1 18.9 1.0 NE2 B:HIS413 4.2 28.7 1.0 O2G B:ACP999 4.3 45.5 1.0 CD2 B:HIS413 4.4 27.3 1.0 CD2 B:HIS405 4.5 18.8 1.0 O2A B:ACP999 4.8 33.2 1.0 O B:VAL505 4.8 32.1 1.0 CB B:ASN409 4.8 16.0 1.0 C5' B:ACP999 4.9 28.2 1.0 CG B:HIS405 4.9 18.5 1.0

A.M.Bilwes, C.M.Quezada, L.R.Croal, B.R.Crane, M.I.Simon. Nucleotide Binding By the Histidine Kinase Chea. Nat.Struct.Biol. V. 8 353 2001.
ISSN: ISSN 1072-8368
PubMed: 11276258
DOI: 10.1038/86243