Calcium in PDB 1xcb: X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus

The structure of X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus, PDB code: 1xcb was solved by E.A.Sickmier, D.Brekasis, S.Paranawithana, J.B.Bonanno, S.K.Burley, M.S.Paget, C.L.Kielkopf, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	189.240, 88.970, 112.910, 90.00, 106.09, 90.00
R / Rfree (%)	22.8 / 27.6

The binding sites of Calcium atom in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus (pdb code 1xcb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus, PDB code: 1xcb:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca212 b:45.5 occ:1.00 O B:GLY139 3.2 22.2 1.0 O G:GLY139 3.3 13.3 1.0 OE1 G:GLU142 3.9 27.0 1.0 NH2 B:ARG108 4.1 28.4 1.0 OE2 B:GLU142 4.1 24.0 1.0 C G:GLY139 4.2 14.8 1.0 C B:GLY139 4.2 18.2 1.0 NH1 G:ARG108 4.7 18.3 1.0 CA G:GLY139 4.8 15.4 1.0 CA B:GLY139 5.0 16.4 1.0 CD G:GLU142 5.0 25.0 1.0

Calcium binding site 2 out of 5 in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca212 b:47.1 occ:1.00 O D:GLY139 3.3 18.1 1.0 O E:GLY139 3.4 16.4 1.0 OE1 E:GLU142 4.0 26.2 1.0 NH1 E:ARG108 4.1 14.2 1.0 OE2 D:GLU142 4.2 24.2 1.0 NH2 D:ARG108 4.2 19.2 1.0 C E:GLY139 4.3 13.6 1.0 C D:GLY139 4.4 16.2 1.0 CD E:GLU142 5.0 17.3 1.0

Calcium binding site 3 out of 5 in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca212 b:64.2 occ:1.00 C C:PRO173 4.1 28.7 1.0 CA C:PRO173 4.3 27.4 1.0 O C:PRO173 4.3 32.2 1.0 N C:VAL174 4.4 29.9 1.0 CB C:PRO173 4.8 27.1 1.0 CA C:VAL174 4.9 31.5 1.0

Calcium binding site 4 out of 5 in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca213 b:57.3 occ:1.00 O D:ASP188 3.4 30.4 1.0 CG1 D:VAL187 3.4 32.3 1.0 CG2 D:VAL187 3.7 36.2 1.0 N D:ASP188 3.8 31.0 1.0 CB D:VAL187 3.9 30.6 1.0 CA D:VAL187 3.9 28.5 1.0 C D:VAL187 4.3 28.9 1.0 C D:ASP188 4.4 32.5 1.0 O D:ASN186 4.7 24.4 1.0 CA D:ASP188 4.7 33.2 1.0

Calcium binding site 5 out of 5 in the X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of X-Ray Structure of A Rex-Family Repressor/Nadh Complex From Thermus Aquaticus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca212 b:58.8 occ:1.00 O A:GLY139 3.9 35.5 1.0 NH1 A:ARG108 4.0 30.9 1.0 O A:LYS80 4.3 33.1 1.0 OE2 A:GLU142 4.3 29.9 1.0 NH2 A:ARG108 4.8 35.5 1.0 CZ A:ARG108 4.9 34.4 1.0 OE1 A:GLU142 4.9 20.2 1.0

E.A.Sickmier, D.Brekasis, S.Paranawithana, J.B.Bonanno, M.S.Paget, S.K.Burley, C.L.Kielkopf. X-Ray Structure of A Rex-Family Repressor/Nadh Complex: Insights Into the Mechanism of Redox Sensing Structure V. 13 43 2005.
ISSN: ISSN 0969-2126
PubMed: 15642260
DOI: 10.1016/J.STR.2004.10.012