Iron in PDB 1js2: Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster

The structure of Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster, PDB code: 1js2 was solved by S.S.Mansy, Y.Xiong, C.Hemann, R.Hille, M.Sundaralingam, J.A.Cowan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.059, 30.182, 68.738, 90.00, 111.27, 90.00
R / Rfree (%)	19.3 / 23.4

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>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster (pdb code 1js2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster, PDB code: 1js2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


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 C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe90 b:12.8 occ:1.00 FE1 A:SF490 0.0 12.8 1.0 S2 A:SF490 2.3 12.6 1.0 S4 A:SF490 2.3 10.6 1.0 S3 A:SF490 2.3 12.4 1.0 SG A:CYS47 2.3 12.9 1.0 FE4 A:SF490 2.7 14.3 1.0 FE3 A:SF490 2.7 13.2 1.0 FE2 A:SF490 2.8 13.3 1.0 CB A:CYS47 3.2 9.7 1.0 CA A:CYS47 3.5 12.1 1.0 S1 A:SF490 3.9 12.4 1.0 N A:CYS47 4.1 12.1 1.0 N A:SER81 4.5 11.7 1.0 CG1 A:ILE75 4.6 12.9 1.0 CA A:TRP80 4.6 12.2 1.0 OG A:SER81 4.6 14.9 1.0 CB A:CYS50 4.7 11.9 1.0 C A:TRP80 4.8 14.7 1.0 CD1 A:ILE75 4.8 5.9 1.0 N A:TRP80 4.8 13.5 1.0 C A:CYS47 4.8 12.2 1.0 SG A:CYS50 4.8 13.0 1.0 CB A:SER81 4.8 11.6 1.0 CB A:ILE75 4.9 10.9 1.0 SG A:CYS67 4.9 15.9 1.0 C A:GLY79 4.9 13.3 1.0 O A:GLY79 4.9 13.2 1.0

Iron binding site 2 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


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 C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe90 b:13.3 occ:1.00 FE2 A:SF490 0.0 13.3 1.0 S1 A:SF490 2.3 12.4 1.0 S3 A:SF490 2.3 12.4 1.0 S4 A:SF490 2.3 10.6 1.0 SG A:CYS50 2.3 13.0 1.0 FE4 A:SF490 2.7 14.3 1.0 FE3 A:SF490 2.7 13.2 1.0 FE1 A:SF490 2.8 12.8 1.0 CB A:CYS50 3.0 11.9 1.0 S2 A:SF490 3.8 12.6 1.0 CA A:TRP84 4.2 10.6 1.0 CB A:PHE52 4.4 12.3 1.0 CD2 A:PHE52 4.5 9.8 1.0 CA A:CYS50 4.5 10.4 1.0 OG A:SER81 4.6 14.9 1.0 N A:TRP84 4.6 10.4 1.0 CD1 A:TRP84 4.6 11.8 1.0 CA A:CYS47 4.7 12.1 1.0 SG A:CYS67 4.7 15.9 1.0 N A:PHE52 4.8 14.0 1.0 O A:SER83 4.8 14.6 1.0 N A:MET53 4.8 11.5 1.0 C A:SER83 4.8 12.3 1.0 CB A:TRP84 4.9 9.3 1.0 SG A:CYS47 4.9 12.9 1.0 C A:CYS50 5.0 11.8 1.0 CG A:PHE52 5.0 10.7 1.0 CA A:PHE52 5.0 12.7 1.0

Iron binding site 3 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


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 C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe90 b:13.2 occ:1.00 FE3 A:SF490 0.0 13.2 1.0 S4 A:SF490 2.2 10.6 1.0 S1 A:SF490 2.3 12.4 1.0 S2 A:SF490 2.3 12.6 1.0 SG A:CYS67 2.3 15.9 1.0 FE4 A:SF490 2.7 14.3 1.0 FE2 A:SF490 2.7 13.3 1.0 FE1 A:SF490 2.7 12.8 1.0 CB A:CYS67 3.3 13.2 1.0 S3 A:SF490 3.9 12.4 1.0 CA A:CYS67 4.4 11.0 1.0 CB A:PHE52 4.5 12.3 1.0 OG A:SER81 4.5 14.9 1.0 CD2 A:PHE70 4.5 19.8 1.0 CE2 A:PHE70 4.7 22.3 1.0 CG1 A:ILE75 4.7 12.9 1.0 SG A:CYS50 4.8 13.0 1.0 SG A:CYS47 4.8 12.9 1.0 CG2 A:ILE75 5.0 9.8 1.0

Iron binding site 4 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


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 C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe90 b:14.3 occ:1.00 FE4 A:SF490 0.0 14.3 1.0 OG A:SER81 2.1 14.9 1.0 S1 A:SF490 2.2 12.4 1.0 S3 A:SF490 2.2 12.4 1.0 S2 A:SF490 2.2 12.6 1.0 FE2 A:SF490 2.7 13.3 1.0 FE3 A:SF490 2.7 13.2 1.0 FE1 A:SF490 2.7 12.8 1.0 CB A:SER81 2.8 11.6 1.0 N A:SER81 3.5 11.7 1.0 CA A:SER81 3.7 13.1 1.0 S4 A:SF490 3.8 10.6 1.0 O A:SER81 4.1 12.3 1.0 C A:SER81 4.1 13.1 1.0 N A:TRP84 4.3 10.4 1.0 C A:TRP80 4.4 14.7 1.0 N A:SER83 4.6 12.2 1.0 C A:SER83 4.6 12.3 1.0 CB A:SER83 4.7 12.0 1.0 CA A:TRP84 4.7 10.6 1.0 SG A:CYS67 4.7 15.9 1.0 SG A:CYS50 4.8 13.0 1.0 SG A:CYS47 4.8 12.9 1.0 CA A:SER83 4.9 13.0 1.0 CE2 A:PHE70 4.9 22.3 1.0

Iron binding site 5 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


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 C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe190 b:14.9 occ:1.00 FE1 B:SF4190 0.0 14.9 1.0 SG B:CYS147 2.2 11.2 1.0 S2 B:SF4190 2.3 13.5 1.0 S4 B:SF4190 2.3 12.2 1.0 S3 B:SF4190 2.3 13.7 1.0 FE4 B:SF4190 2.7 14.8 1.0 FE3 B:SF4190 2.8 14.1 1.0 FE2 B:SF4190 2.8 14.2 1.0 CB B:CYS147 3.2 11.8 1.0 CA B:CYS147 3.6 12.3 1.0 S1 B:SF4190 3.9 13.3 1.0 N B:CYS147 4.2 11.4 1.0 N B:SER181 4.5 12.0 1.0 CA B:TRP180 4.5 14.9 1.0 CD1 B:ILE175 4.6 11.4 1.0 C B:TRP180 4.6 13.2 1.0 CG1 B:ILE175 4.6 9.5 1.0 CB B:CYS150 4.6 13.1 1.0 N B:TRP180 4.7 11.7 1.0 OG B:SER181 4.7 13.8 1.0 CB B:SER181 4.8 10.4 1.0 SG B:CYS150 4.8 15.5 1.0 C B:CYS147 4.9 13.7 1.0 O B:GLY179 4.9 14.7 1.0 C B:GLY179 4.9 15.3 1.0 SG B:CYS167 4.9 11.4 1.0

Iron binding site 6 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


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 C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe190 b:14.2 occ:1.00 FE2 B:SF4190 0.0 14.2 1.0 S1 B:SF4190 2.3 13.3 1.0 S3 B:SF4190 2.3 13.7 1.0 S4 B:SF4190 2.3 12.2 1.0 SG B:CYS150 2.3 15.5 1.0 FE4 B:SF4190 2.7 14.8 1.0 FE3 B:SF4190 2.7 14.1 1.0 FE1 B:SF4190 2.8 14.9 1.0 CB B:CYS150 3.0 13.1 1.0 S2 B:SF4190 3.8 13.5 1.0 CA B:TRP184 4.2 10.6 1.0 CB B:PHE152 4.3 15.0 1.0 CA B:CYS150 4.5 15.1 1.0 CD2 B:PHE152 4.5 16.9 1.0 N B:TRP184 4.5 11.3 1.0 OG B:SER181 4.6 13.8 1.0 CD1 B:TRP184 4.7 13.4 1.0 SG B:CYS167 4.8 11.4 1.0 CA B:CYS147 4.8 12.3 1.0 N B:PHE152 4.8 14.4 1.0 SG B:CYS147 4.8 11.2 1.0 C B:SER183 4.8 14.1 1.0 N B:MET153 4.8 15.2 1.0 CB B:TRP184 4.9 11.3 1.0 CA B:PHE152 4.9 13.4 1.0 CG B:PHE152 4.9 14.7 1.0 C B:CYS150 5.0 13.4 1.0 O B:SER183 5.0 14.8 1.0 C B:PHE152 5.0 15.4 1.0

Iron binding site 7 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe190 b:14.1 occ:1.00 FE3 B:SF4190 0.0 14.1 1.0 S4 B:SF4190 2.2 12.2 1.0 S1 B:SF4190 2.3 13.3 1.0 S2 B:SF4190 2.3 13.5 1.0 SG B:CYS167 2.3 11.4 1.0 FE4 B:SF4190 2.7 14.8 1.0 FE2 B:SF4190 2.7 14.2 1.0 FE1 B:SF4190 2.8 14.9 1.0 CB B:CYS167 3.3 9.5 1.0 S3 B:SF4190 3.9 13.7 1.0 CA B:CYS167 4.4 10.7 1.0 CB B:PHE152 4.5 15.0 1.0 OG B:SER181 4.6 13.8 1.0 SG B:CYS147 4.7 11.2 1.0 SG B:CYS150 4.8 15.5 1.0 CG1 B:ILE175 4.8 9.5 1.0 CD2 B:PHE170 4.8 15.2 1.0 O B:PHE152 4.9 12.0 1.0 C B:PHE152 4.9 15.4 1.0

Iron binding site 8 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe190 b:14.8 occ:1.00 FE4 B:SF4190 0.0 14.8 1.0 OG B:SER181 2.1 13.8 1.0 S1 B:SF4190 2.2 13.3 1.0 S2 B:SF4190 2.2 13.5 1.0 S3 B:SF4190 2.2 13.7 1.0 CB B:SER181 2.7 10.4 1.0 FE3 B:SF4190 2.7 14.1 1.0 FE2 B:SF4190 2.7 14.2 1.0 FE1 B:SF4190 2.7 14.9 1.0 N B:SER181 3.5 12.0 1.0 CA B:SER181 3.6 13.6 1.0 S4 B:SF4190 3.8 12.2 1.0 C B:SER181 4.1 11.5 1.0 O B:SER181 4.2 9.5 1.0 C B:TRP180 4.3 13.2 1.0 N B:TRP184 4.3 11.3 1.0 CB B:SER183 4.4 12.6 1.0 N B:SER183 4.6 13.7 1.0 C B:SER183 4.7 14.1 1.0 SG B:CYS167 4.7 11.4 1.0 SG B:CYS147 4.7 11.2 1.0 CA B:SER183 4.8 13.8 1.0 CA B:TRP184 4.8 10.6 1.0 SG B:CYS150 4.9 15.5 1.0 O B:TRP180 4.9 13.2 1.0 CA B:TRP180 5.0 14.9 1.0

Iron binding site 9 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe290 b:12.0 occ:1.00 FE1 C:SF4290 0.0 12.0 1.0 S2 C:SF4290 2.3 12.9 1.0 S4 C:SF4290 2.3 11.6 1.0 SG C:CYS247 2.3 11.3 1.0 S3 C:SF4290 2.3 10.0 1.0 FE4 C:SF4290 2.7 13.4 1.0 FE2 C:SF4290 2.8 14.0 1.0 FE3 C:SF4290 2.8 11.3 1.0 CB C:CYS247 3.2 11.6 1.0 CA C:CYS247 3.6 12.7 1.0 S1 C:SF4290 3.9 12.1 1.0 N C:CYS247 4.2 11.7 1.0 CA C:TRP280 4.5 7.8 1.0 N C:SER281 4.6 7.6 1.0 OG C:SER281 4.6 6.4 1.0 C C:TRP280 4.7 8.5 1.0 CB C:CYS250 4.7 10.5 1.0 N C:TRP280 4.7 8.2 1.0 CG1 C:ILE275 4.7 11.0 1.0 SG C:CYS250 4.8 13.2 1.0 CB C:SER281 4.9 5.4 1.0 C C:CYS247 4.9 13.0 1.0 SG C:CYS267 4.9 12.6 1.0 C C:GLY279 4.9 12.8 1.0 CD1 C:TYR223 5.0 7.3 1.0 CE1 C:TYR223 5.0 10.1 1.0

Iron binding site 10 out of 16 in the Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of C77S Hipip: A Serine Ligated [4FE-4S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe290 b:14.0 occ:1.00 FE2 C:SF4290 0.0 14.0 1.0 S1 C:SF4290 2.3 12.1 1.0 SG C:CYS250 2.3 13.2 1.0 S3 C:SF4290 2.3 10.0 1.0 S4 C:SF4290 2.3 11.6 1.0 FE4 C:SF4290 2.7 13.4 1.0 FE3 C:SF4290 2.7 11.3 1.0 FE1 C:SF4290 2.8 12.0 1.0 CB C:CYS250 3.1 10.5 1.0 S2 C:SF4290 3.8 12.9 1.0 CA C:TRP284 4.2 12.9 1.0 CB C:PHE252 4.4 9.4 1.0 CD2 C:PHE252 4.5 10.8 1.0 CA C:CYS250 4.5 12.0 1.0 N C:TRP284 4.5 11.2 1.0 OG C:SER281 4.7 6.4 1.0 N C:PHE252 4.7 11.8 1.0 N C:MET253 4.7 13.2 1.0 CA C:CYS247 4.7 12.7 1.0 SG C:CYS267 4.7 12.6 1.0 CD1 C:TRP284 4.8 10.1 1.0 O C:SER283 4.8 13.3 1.0 CA C:PHE252 4.8 13.4 1.0 C C:SER283 4.8 13.1 1.0 C C:PHE252 4.9 13.0 1.0 SG C:CYS247 4.9 11.3 1.0 CG C:PHE252 4.9 11.2 1.0 CB C:TRP284 5.0 11.1 1.0 CB C:CYS247 5.0 11.6 1.0

S.S.Mansy, Y.Xiong, C.Hemann, R.Hille, M.Sundaralingam, J.A.Cowan. Crystal Structure and Stability Studies of C77S Hipip: A Serine Ligated [4FE-4S] Cluster. Biochemistry V. 41 1195 2002.
ISSN: ISSN 0006-2960
PubMed: 11802718
DOI: 10.1021/BI011811Y