Iron in PDB 1rcw: Crystal Structure of CT610 From Chlamydia Trachomatis

The structure of Crystal Structure of CT610 From Chlamydia Trachomatis, PDB code: 1rcw was solved by R.Schwarzenbacher, R.C.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	77.553, 192.966, 93.740, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 25.8

The binding sites of Iron atom in the Crystal Structure of CT610 From Chlamydia Trachomatis (pdb code 1rcw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of CT610 From Chlamydia Trachomatis, PDB code: 1rcw:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of CT610 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:38.3 occ:1.00 OE2 A:GLU81 2.2 44.7 1.0 ND1 A:HIS88 2.2 31.5 1.0 O A:HOH501 2.3 24.3 1.0 NE2 A:HIS174 2.3 44.1 1.0 O A:HOH500 3.0 47.8 1.0 CD A:GLU81 3.1 38.3 1.0 CE1 A:HIS88 3.1 31.0 1.0 CD2 A:HIS174 3.2 36.8 1.0 CE1 A:HIS174 3.2 40.1 1.0 FE A:FE402 3.3 33.6 1.0 OE1 A:GLU81 3.3 31.4 1.0 CG A:HIS88 3.3 23.8 1.0 CB A:HIS88 3.7 23.8 1.0 OD1 A:ASP178 4.2 43.5 1.0 NE2 A:HIS88 4.3 31.7 1.0 OH A:TYR170 4.3 33.5 1.0 ND1 A:HIS174 4.3 45.0 1.0 CG A:HIS174 4.3 35.9 1.0 CD2 A:HIS88 4.4 24.0 1.0 CG A:GLU81 4.5 37.8 1.0 O A:HOH519 4.5 38.8 1.0 OE1 A:GLU142 4.6 42.5 1.0 CE1 A:TYR170 4.8 33.6 1.0 CZ A:TYR170 4.8 28.6 1.0 OD2 A:ASP178 4.8 54.2 1.0 CB A:GLU81 4.8 26.1 1.0 CA A:GLU81 4.9 27.0 1.0

Iron binding site 2 out of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of CT610 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:33.6 occ:1.00 OE1 A:GLU142 1.8 42.5 1.0 OD1 A:ASP178 2.3 43.5 1.0 OE1 A:GLU81 2.4 31.4 1.0 ND1 A:HIS181 2.5 32.4 1.0 CD A:GLU142 3.0 40.8 1.0 O A:HOH500 3.1 47.8 1.0 CE1 A:HIS181 3.1 34.8 1.0 CG A:ASP178 3.2 33.4 1.0 FE A:FE401 3.3 38.3 1.0 CD A:GLU81 3.4 38.3 1.0 OD2 A:ASP178 3.4 54.2 1.0 CG A:HIS181 3.6 29.1 1.0 OE2 A:GLU81 3.7 44.7 1.0 CG A:GLU142 3.8 38.9 1.0 O A:HOH530 3.9 31.5 1.0 OE2 A:GLU142 4.0 31.7 1.0 CB A:HIS181 4.1 25.2 1.0 NE2 A:HIS181 4.4 30.3 1.0 CB A:ASP178 4.4 34.0 1.0 CD2 A:HIS174 4.4 36.8 1.0 NE2 A:HIS174 4.5 44.1 1.0 CD2 A:HIS181 4.6 26.6 1.0 CA A:ASP178 4.6 31.1 1.0 ND1 A:HIS88 4.7 31.5 1.0 CG A:GLU81 4.8 37.8 1.0 CE1 A:HIS88 4.8 31.0 1.0 CE2 A:PHE54 4.9 26.1 1.0 CB A:GLU142 5.0 26.8 1.0

Iron binding site 3 out of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of CT610 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe403 b:40.2 occ:1.00 ND1 B:HIS88 2.0 31.7 1.0 NE2 B:HIS174 2.2 44.0 1.0 OE2 B:GLU81 2.2 44.5 1.0 O B:HOH503 2.5 26.7 1.0 CE1 B:HIS88 2.8 30.9 1.0 O B:HOH502 3.0 43.4 1.0 CG B:HIS88 3.1 24.2 1.0 CE1 B:HIS174 3.1 40.1 1.0 CD B:GLU81 3.1 38.4 1.0 CD2 B:HIS174 3.2 36.7 1.0 FE B:FE404 3.4 34.5 1.0 OE1 B:GLU81 3.5 31.9 1.0 CB B:HIS88 3.6 24.2 1.0 NE2 B:HIS88 4.0 32.0 1.0 CD2 B:HIS88 4.1 23.9 1.0 ND1 B:HIS174 4.2 45.3 1.0 OD1 B:ASP178 4.3 43.9 1.0 CG B:HIS174 4.3 36.0 1.0 OH B:TYR170 4.3 33.5 1.0 CG B:GLU81 4.5 38.0 1.0 CA B:GLU81 4.8 26.8 1.0 CB B:GLU81 4.8 26.4 1.0 CE1 B:TYR170 4.8 33.5 1.0 CZ B:TYR170 4.8 28.4 1.0 OE1 B:GLU142 4.9 42.6 1.0 OD2 B:ASP178 4.9 54.4 1.0

Iron binding site 4 out of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of CT610 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe404 b:34.5 occ:1.00 OE1 B:GLU142 1.9 42.6 1.0 ND1 B:HIS181 2.3 32.4 1.0 OE1 B:GLU81 2.4 31.9 1.0 OD1 B:ASP178 2.4 43.9 1.0 O B:HOH502 3.0 43.4 1.0 CE1 B:HIS181 3.0 35.0 1.0 CD B:GLU142 3.1 40.9 1.0 CG B:ASP178 3.2 33.9 1.0 FE B:FE403 3.4 40.2 1.0 CD B:GLU81 3.4 38.4 1.0 OD2 B:ASP178 3.5 54.4 1.0 CG B:HIS181 3.5 29.5 1.0 O B:HOH537 3.6 32.8 1.0 OE2 B:GLU81 3.7 44.5 1.0 CG B:GLU142 3.9 38.7 1.0 OE2 B:GLU142 4.0 32.0 1.0 CB B:HIS181 4.1 25.6 1.0 NE2 B:HIS181 4.2 30.1 1.0 CD2 B:HIS174 4.5 36.7 1.0 CB B:ASP178 4.5 33.8 1.0 CD2 B:HIS181 4.5 26.6 1.0 NE2 B:HIS174 4.5 44.0 1.0 CA B:ASP178 4.7 31.1 1.0 ND1 B:HIS88 4.7 31.7 1.0 CG B:GLU81 4.7 38.0 1.0 CE1 B:HIS88 4.7 30.9 1.0 CE2 B:PHE54 5.0 26.2 1.0 N B:ASP178 5.0 29.4 1.0

Iron binding site 5 out of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of CT610 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe405 b:57.2 occ:1.00 ND1 C:HIS88 2.0 28.4 1.0 OE2 C:GLU81 2.3 51.4 1.0 NE2 C:HIS174 2.4 36.6 1.0 O C:HOH425 2.8 45.8 1.0 CE1 C:HIS174 2.8 41.3 1.0 CD C:GLU81 2.9 35.1 1.0 OE1 C:GLU81 3.0 44.4 1.0 CE1 C:HIS88 3.0 40.2 1.0 CG C:HIS88 3.0 25.4 1.0 FE C:FE406 3.1 68.1 1.0 CB C:HIS88 3.4 18.4 1.0 CD2 C:HIS174 3.7 38.5 1.0 NE2 C:HIS88 4.1 31.7 1.0 ND1 C:HIS174 4.1 43.0 1.0 CD2 C:HIS88 4.1 35.3 1.0 CG C:GLU81 4.3 32.0 1.0 OH C:TYR170 4.4 29.2 1.0 CG C:HIS174 4.5 42.5 1.0 OD1 C:ASP178 4.7 42.0 1.0 CE1 C:TYR170 4.7 22.5 1.0 CA C:GLU81 4.7 25.4 1.0 OD2 C:ASP178 4.7 55.8 1.0 CB C:GLU81 4.8 26.4 1.0 CA C:HIS88 4.8 20.1 1.0 CZ C:TYR170 4.9 18.0 1.0 OE1 C:GLU142 4.9 45.8 1.0

Iron binding site 6 out of 6 in the Crystal Structure of CT610 From Chlamydia Trachomatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of CT610 From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe406 b:68.1 occ:1.00 OE1 C:GLU81 2.1 44.4 1.0 OD1 C:ASP178 2.2 42.0 1.0 OE1 C:GLU142 2.3 45.8 1.0 ND1 C:HIS181 2.6 42.7 1.0 FE C:FE405 3.1 57.2 1.0 CE1 C:HIS181 3.2 41.7 1.0 CG C:ASP178 3.2 55.1 1.0 CD C:GLU81 3.3 35.1 1.0 OD2 C:ASP178 3.4 55.8 1.0 CD C:GLU142 3.5 34.6 1.0 OE2 C:GLU81 3.8 51.4 1.0 CG C:HIS181 3.8 47.5 1.0 NE2 C:HIS174 3.9 36.6 1.0 CG C:GLU142 4.1 30.8 1.0 ND1 C:HIS88 4.2 28.4 1.0 CD2 C:HIS174 4.3 38.5 1.0 CE1 C:HIS88 4.4 40.2 1.0 CB C:HIS181 4.4 47.5 1.0 NE2 C:HIS181 4.4 40.7 1.0 OE2 C:GLU142 4.5 25.4 1.0 CG C:GLU81 4.5 32.0 1.0 CB C:ASP178 4.6 54.2 1.0 CD2 C:HIS181 4.8 42.2 1.0 CE2 C:PHE54 4.8 20.5 1.0 CE1 C:HIS174 4.8 41.3 1.0 CA C:ASP178 4.9 53.7 1.0

R.Schwarzenbacher, F.Stenner-Liewen, H.Liewen, H.Robinson, H.Yuan, E.Bossy-Wetzel, J.C.Reed, R.C.Liddington. Structure of the Chlamydia Protein Cadd Reveals A Redox Enzyme That Modulates Host Cell Apoptosis. J.Biol.Chem. V. 279 29320 2004.
ISSN: ISSN 0021-9258
PubMed: 15087448
DOI: 10.1074/JBC.M401268200