Iron in PDB 3n5n: Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue

The structure of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue, PDB code: 3n5n was solved by E.A.Toth, P.J.Luncsford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.31 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.311, 82.167, 63.460, 90.00, 100.90, 90.00
R / Rfree (%)	20.6 / 25.1

The binding sites of Iron atom in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue (pdb code 3n5n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue, PDB code: 3n5n:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe400 b:60.1 occ:1.00 FE1 X:SF4400 0.0 60.1 1.0 S3 X:SF4400 2.3 60.1 1.0 S2 X:SF4400 2.3 60.2 1.0 S4 X:SF4400 2.3 63.9 1.0 SG X:CYS286 2.3 58.6 1.0 FE2 X:SF4400 2.6 59.6 1.0 FE3 X:SF4400 2.7 65.3 1.0 FE4 X:SF4400 2.7 62.5 1.0 CB X:CYS286 3.0 62.7 1.0 S1 X:SF4400 3.9 56.8 1.0 CA X:CYS286 4.5 63.5 1.0 CA X:CYS283 4.6 67.3 1.0 CG1 X:VAL288 4.6 60.4 1.0 N X:GLU289 4.6 65.2 1.0 SG X:CYS276 4.7 61.6 1.0 CA X:GLU289 4.8 65.8 1.0 SG X:CYS283 4.8 69.4 1.0 CD1 X:LEU271 4.8 47.3 1.0 CB X:CYS276 4.8 52.3 1.0 SG X:CYS292 4.8 61.1 1.0 C X:VAL288 4.8 61.9 1.0 CB X:CYS292 4.9 60.8 1.0 CG1 X:VAL275 5.0 59.5 1.0 CB X:CYS283 5.0 67.2 1.0

Iron binding site 2 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe400 b:59.6 occ:1.00 FE2 X:SF4400 0.0 59.6 1.0 S1 X:SF4400 2.3 56.8 1.0 S4 X:SF4400 2.3 63.9 1.0 S3 X:SF4400 2.3 60.1 1.0 SG X:CYS276 2.3 61.6 1.0 FE1 X:SF4400 2.6 60.1 1.0 FE4 X:SF4400 2.7 62.5 1.0 FE3 X:SF4400 2.7 65.3 1.0 CB X:CYS276 3.2 52.3 1.0 S2 X:SF4400 3.8 60.2 1.0 CA X:CYS276 4.1 56.0 1.0 CD X:ARG231 4.2 54.8 1.0 CB X:ARG231 4.5 59.5 1.0 SG X:CYS292 4.7 61.1 1.0 SG X:CYS286 4.7 58.6 1.0 NH1 X:ARG231 4.8 52.6 1.0 CB X:PRO281 4.9 69.6 1.0 SG X:CYS283 5.0 69.4 1.0 CG X:ARG231 5.0 60.6 1.0

Iron binding site 3 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe400 b:65.3 occ:1.00 FE3 X:SF4400 0.0 65.3 1.0 S4 X:SF4400 2.3 63.9 1.0 S2 X:SF4400 2.3 60.2 1.0 S1 X:SF4400 2.3 56.8 1.0 SG X:CYS283 2.4 69.4 1.0 FE1 X:SF4400 2.7 60.1 1.0 FE2 X:SF4400 2.7 59.6 1.0 FE4 X:SF4400 2.8 62.5 1.0 CB X:CYS283 3.3 67.2 1.0 CA X:CYS283 3.7 67.3 1.0 S3 X:SF4400 3.9 60.1 1.0 N X:CYS283 4.2 66.9 1.0 CB X:PRO281 4.4 69.6 1.0 CB X:CYS286 4.7 62.7 1.0 SG X:CYS276 4.7 61.6 1.0 CG X:PRO281 4.8 70.1 1.0 SG X:CYS292 4.8 61.1 1.0 SG X:CYS286 4.8 58.6 1.0 CB X:ARG295 4.9 62.6 1.0 C X:CYS283 4.9 68.6 1.0

Iron binding site 4 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe400 b:62.5 occ:1.00 FE4 X:SF4400 0.0 62.5 1.0 S3 X:SF4400 2.3 60.1 1.0 SG X:CYS292 2.3 61.1 1.0 S1 X:SF4400 2.3 56.8 1.0 S2 X:SF4400 2.3 60.2 1.0 FE2 X:SF4400 2.7 59.6 1.0 FE1 X:SF4400 2.7 60.1 1.0 FE3 X:SF4400 2.8 65.3 1.0 CB X:CYS292 3.1 60.8 1.0 S4 X:SF4400 3.9 63.9 1.0 CB X:ARG295 4.2 62.6 1.0 CA X:CYS292 4.5 60.3 1.0 CB X:ARG231 4.5 59.5 1.0 N X:ARG295 4.7 63.7 1.0 SG X:CYS286 4.8 58.6 1.0 CG2 X:VAL232 4.8 53.7 1.0 SG X:CYS276 4.9 61.6 1.0 SG X:CYS283 4.9 69.4 1.0

Iron binding site 5 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ Y:Fe400 b:59.9 occ:1.00 FE1 Y:SF4400 0.0 59.9 1.0 SG Y:CYS286 2.2 56.3 1.0 S2 Y:SF4400 2.3 54.7 1.0 S4 Y:SF4400 2.3 61.0 1.0 S3 Y:SF4400 2.3 60.1 1.0 FE2 Y:SF4400 2.7 58.0 1.0 FE3 Y:SF4400 2.7 62.1 1.0 FE4 Y:SF4400 2.8 61.1 1.0 CB Y:CYS286 3.0 62.6 1.0 S1 Y:SF4400 3.9 55.0 1.0 CA Y:CYS286 4.4 64.1 1.0 N Y:GLU289 4.6 63.9 1.0 CA Y:CYS283 4.6 67.3 1.0 CG1 Y:VAL288 4.7 60.0 1.0 SG Y:CYS276 4.7 56.6 1.0 CA Y:GLU289 4.7 64.8 1.0 SG Y:CYS292 4.8 56.5 1.0 CB Y:CYS276 4.8 53.9 1.0 CD1 Y:LEU271 4.9 49.2 1.0 CB Y:CYS292 4.9 55.7 1.0 C Y:VAL288 5.0 62.0 1.0 CG1 Y:VAL275 5.0 60.0 1.0

Iron binding site 6 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ Y:Fe400 b:58.0 occ:1.00 FE2 Y:SF4400 0.0 58.0 1.0 S4 Y:SF4400 2.3 61.0 1.0 S1 Y:SF4400 2.3 55.0 1.0 S3 Y:SF4400 2.3 60.1 1.0 SG Y:CYS276 2.3 56.6 1.0 FE1 Y:SF4400 2.7 59.9 1.0 FE4 Y:SF4400 2.8 61.1 1.0 FE3 Y:SF4400 2.8 62.1 1.0 CB Y:CYS276 3.1 53.9 1.0 CA Y:CYS276 3.9 56.7 1.0 S2 Y:SF4400 3.9 54.7 1.0 CD Y:ARG231 4.1 46.0 1.0 NH1 Y:ARG231 4.5 48.4 1.0 SG Y:CYS286 4.6 56.3 1.0 CB Y:ARG231 4.6 52.0 1.0 CB Y:PRO281 4.8 66.0 1.0 SG Y:CYS292 4.8 56.5 1.0 N Y:CYS276 4.8 58.0 1.0 C Y:CYS276 5.0 57.3 1.0

Iron binding site 7 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ Y:Fe400 b:62.1 occ:1.00 FE3 Y:SF4400 0.0 62.1 1.0 S2 Y:SF4400 2.3 54.7 1.0 S4 Y:SF4400 2.3 61.0 1.0 S1 Y:SF4400 2.3 55.0 1.0 SG Y:CYS283 2.5 65.1 1.0 FE1 Y:SF4400 2.7 59.9 1.0 FE4 Y:SF4400 2.8 61.1 1.0 FE2 Y:SF4400 2.8 58.0 1.0 CB Y:CYS283 3.3 65.8 1.0 CA Y:CYS283 3.6 67.3 1.0 S3 Y:SF4400 4.0 60.1 1.0 N Y:CYS283 4.2 66.0 1.0 CB Y:PRO281 4.3 66.0 1.0 CB Y:CYS286 4.6 62.6 1.0 SG Y:CYS286 4.7 56.3 1.0 CG Y:PRO281 4.7 64.5 1.0 SG Y:CYS292 4.8 56.5 1.0 SG Y:CYS276 4.8 56.6 1.0 CB Y:ARG295 4.8 57.3 1.0 C Y:CYS283 4.9 70.0 1.0

Iron binding site 8 out of 8 in the Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure Analysis of the Catalytic Domain and Interdomain Connector of Human Muty Homologue within 5.0Å range: probe atom residue distance (Å) B Occ Y:Fe400 b:61.1 occ:1.00 FE4 Y:SF4400 0.0 61.1 1.0 SG Y:CYS292 2.2 56.5 1.0 S3 Y:SF4400 2.3 60.1 1.0 S1 Y:SF4400 2.3 55.0 1.0 S2 Y:SF4400 2.3 54.7 1.0 FE1 Y:SF4400 2.8 59.9 1.0 FE2 Y:SF4400 2.8 58.0 1.0 FE3 Y:SF4400 2.8 62.1 1.0 CB Y:CYS292 3.1 55.7 1.0 S4 Y:SF4400 4.0 61.0 1.0 CB Y:ARG295 4.2 57.3 1.0 CB Y:ARG231 4.5 52.0 1.0 CA Y:CYS292 4.5 57.1 1.0 SG Y:CYS286 4.7 56.3 1.0 CG2 Y:VAL232 4.7 50.9 1.0 N Y:ARG295 4.8 56.1 1.0 SG Y:CYS276 4.9 56.6 1.0

P.J.Luncsford, D.Y.Chang, G.Shi, J.Bernstein, A.Madabushi, D.N.Patterson, A.L.Lu, E.A.Toth. A Structural Hinge in Eukaryotic Muty Homologues Mediates Catalytic Activity and RAD9-RAD1-HUS1 Checkpoint Complex Interactions. J.Mol.Biol. V. 403 351 2010.
ISSN: ISSN 0022-2836
PubMed: 20816984
DOI: 10.1016/J.JMB.2010.08.045