Zinc in PDB 5yel: Crystal Structure of Ctcf ZFS6-11-GB7CSE

The structure of Crystal Structure of Ctcf ZFS6-11-GB7CSE, PDB code: 5yel was solved by M.Yin, J.Wang, M.Wang, X.Li, Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.87 / 2.96
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	190.993, 69.631, 84.445, 90.00, 116.25, 90.00
R / Rfree (%)	26.8 / 28.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Ctcf ZFS6-11-GB7CSE (pdb code 5yel). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Crystal Structure of Ctcf ZFS6-11-GB7CSE, PDB code: 5yel:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:50.7 occ:1.00 NE2 A:HIS430 2.0 0.7 1.0 SG A:CYS412 2.1 0.5 1.0 NE2 A:HIS425 2.1 90.8 1.0 CE1 A:HIS425 2.5 92.3 1.0 CB A:CYS412 2.8 95.4 1.0 CE1 A:HIS430 2.9 0.3 1.0 SG A:CYS409 3.0 98.9 1.0 CD2 A:HIS430 3.0 0.7 1.0 N A:CYS412 3.3 97.6 1.0 CD2 A:HIS425 3.4 88.2 1.0 CA A:CYS412 3.6 98.2 1.0 ND1 A:HIS425 3.8 90.7 1.0 ND1 A:HIS430 4.0 0.2 1.0 CG A:HIS430 4.1 0.6 1.0 NZ A:LYS429 4.1 83.6 1.0 CB A:ILE411 4.1 82.8 1.0 C A:ILE411 4.1 95.4 1.0 CG A:HIS425 4.2 85.0 1.0 CD1 A:ILE426 4.3 99.5 1.0 CB A:CYS409 4.5 97.4 1.0 CG2 A:ILE411 4.5 81.7 1.0 CA A:ILE411 4.6 86.1 1.0 C A:CYS412 4.6 0.0 1.0 N A:HIS413 4.9 0.0 1.0 CD A:LYS429 4.9 80.7 1.0 N A:ILE411 4.9 87.7 1.0 CE A:LYS429 5.0 83.8 1.0

Zinc binding site 2 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:10.0 occ:1.00 SG A:CYS442 2.0 78.1 1.0 CE1 A:HIS455 2.0 57.7 1.0 NE2 A:HIS460 2.1 83.5 1.0 SG A:CYS439 2.2 74.6 1.0 NE2 A:HIS455 2.6 66.5 1.0 CD2 A:HIS460 2.9 77.6 1.0 CB A:CYS442 3.0 68.2 1.0 CE1 A:HIS460 3.1 80.1 1.0 CB A:CYS439 3.1 73.0 1.0 N A:CYS442 3.2 64.6 1.0 ND1 A:HIS455 3.2 65.2 1.0 CA A:CYS442 3.6 50.6 1.0 CD2 A:HIS455 3.9 61.7 1.0 CG A:HIS460 4.0 56.5 1.0 OG1 A:THR444 4.0 72.4 1.0 ND1 A:HIS460 4.1 68.4 1.0 CG A:HIS455 4.2 61.3 1.0 C A:HIS441 4.3 59.9 1.0 C A:CYS442 4.4 57.5 1.0 O A:CYS442 4.5 72.6 1.0 CA A:CYS439 4.5 72.2 1.0 CB A:HIS441 4.7 46.7 1.0 N A:HIS441 4.7 52.0 1.0 CA A:HIS441 4.8 45.9 1.0 CB A:GLN459 4.8 51.8 1.0 C A:CYS439 4.9 73.3 1.0

Zinc binding site 3 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:23.1 occ:1.00 CB A:CYS472 1.9 48.2 1.0 NE2 A:HIS489 2.0 73.2 1.0 NE2 A:HIS485 2.0 60.1 1.0 SG A:CYS469 2.3 51.0 1.0 SG A:CYS472 2.5 60.3 1.0 CD2 A:HIS489 2.7 77.8 1.0 CD2 A:HIS485 2.8 62.5 1.0 CB A:CYS469 2.9 56.1 1.0 CE1 A:HIS485 3.1 61.0 1.0 CE1 A:HIS489 3.2 85.1 1.0 CA A:CYS472 3.2 50.3 1.0 N A:CYS472 3.5 59.6 1.0 CG A:HIS489 3.9 67.3 1.0 CG A:HIS485 4.0 61.0 1.0 C A:CYS472 4.1 61.4 1.0 ND1 A:HIS489 4.1 77.0 1.0 ND1 A:HIS485 4.1 70.0 1.0 CA A:CYS469 4.4 55.1 1.0 C A:TYR471 4.5 52.8 1.0 CB A:ALA474 4.6 44.0 1.0 O A:CYS472 4.6 71.4 1.0 N A:ASP473 4.7 64.0 1.0 O A:HIS485 4.8 70.8 1.0 N A:ALA474 4.9 44.6 1.0 N A:TYR471 4.9 55.6 1.0 C A:CYS469 4.9 53.5 1.0 CB A:TYR471 5.0 46.6 1.0

Zinc binding site 4 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn604 b:42.1 occ:1.00 NE2 A:HIS513 2.0 78.2 1.0 NE2 A:HIS517 2.0 88.1 1.0 CD2 A:HIS517 2.2 93.8 1.0 SG A:CYS497 2.2 85.5 1.0 CD2 A:HIS513 2.3 82.0 1.0 SG A:CYS500 2.3 46.3 1.0 CB A:CYS500 3.2 65.0 1.0 CE1 A:HIS513 3.3 80.1 1.0 CE1 A:HIS517 3.3 97.4 1.0 CG A:HIS517 3.5 97.3 1.0 CB A:CYS497 3.6 81.5 1.0 CG A:HIS513 3.6 79.8 1.0 N A:CYS500 3.7 82.1 1.0 CA A:CYS500 3.9 73.2 1.0 ND1 A:HIS517 4.0 0.0 1.0 ND1 A:HIS513 4.1 74.5 1.0 O A:CYS500 4.2 88.8 1.0 C A:CYS500 4.3 76.4 1.0 CB A:TYR502 4.5 52.2 1.0 O A:HIS513 4.6 86.4 1.0 C A:GLN499 4.6 92.7 1.0 CB A:HIS517 4.7 97.8 1.0 CB A:GLN499 4.7 96.9 1.0 CE A:MET510 4.8 83.8 1.0 CB A:HIS513 4.9 62.3 1.0 CG2 A:THR516 4.9 80.0 1.0 C A:HIS513 4.9 78.4 1.0 CA A:GLN499 5.0 99.7 1.0 CA A:CYS497 5.0 89.1 1.0 N A:GLN499 5.0 99.8 1.0

Zinc binding site 5 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn605 b:37.5 occ:1.00 NE2 A:HIS541 2.0 77.7 1.0 SG A:CYS528 2.1 92.7 1.0 NE2 A:HIS546 2.2 67.8 1.0 SG A:CYS525 2.3 87.0 1.0 CB A:CYS525 2.7 80.0 1.0 CE1 A:HIS541 2.9 87.8 1.0 CD2 A:HIS546 2.9 70.7 1.0 CB A:CYS528 3.0 95.7 1.0 CD2 A:HIS541 3.1 70.3 1.0 N A:CYS528 3.4 76.7 1.0 CE1 A:HIS546 3.4 35.5 1.0 CA A:CYS528 3.7 83.1 1.0 ND1 A:HIS541 4.0 71.4 1.0 CG A:HIS541 4.1 66.7 1.0 C A:HIS527 4.2 74.4 1.0 CG A:HIS546 4.2 70.2 1.0 CA A:CYS525 4.2 79.2 1.0 ND1 A:HIS546 4.4 68.2 1.0 C A:CYS528 4.4 79.8 1.0 N A:HIS527 4.5 74.3 1.0 CB A:HIS527 4.6 69.6 1.0 CA A:HIS527 4.6 70.9 1.0 O A:CYS528 4.7 84.5 1.0 C A:CYS525 4.7 71.6 1.0 CB A:LYS530 5.0 91.6 1.0 O A:HIS527 5.0 90.6 1.0

Zinc binding site 6 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn606 b:31.0 occ:1.00 NE2 A:HIS573 2.0 62.5 1.0 SG A:CYS560 2.2 48.0 1.0 SG A:CYS577 2.3 0.2 1.0 SG A:CYS557 2.4 69.7 1.0 CB A:CYS577 2.6 0.3 1.0 CD2 A:HIS573 2.8 76.8 1.0 CE1 A:HIS573 3.0 70.8 1.0 CB A:CYS560 3.5 43.6 1.0 NZ A:LYS562 3.7 74.0 1.0 CB A:CYS557 3.8 58.4 1.0 CG A:HIS573 3.9 73.7 1.0 ND1 A:HIS573 3.9 64.3 1.0 CA A:CYS577 4.1 96.0 1.0 N A:CYS560 4.3 56.0 1.0 O A:SER558 4.3 94.3 1.0 CA A:ALA574 4.5 65.5 1.0 O A:HIS573 4.5 80.9 1.0 CA A:CYS560 4.5 34.2 1.0 C A:SER558 4.7 85.8 1.0 C A:HIS573 4.8 64.7 1.0 N A:ALA574 4.8 45.4 1.0 C A:CYS577 4.8 91.1 1.0 N A:SER558 4.9 74.8 1.0 N A:CYS577 4.9 0.1 1.0 N A:LYS559 4.9 78.8 1.0

Zinc binding site 7 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:0.9 occ:1.00 SG B:CYS412 2.0 100.0 1.0 NE2 B:HIS430 2.0 0.2 1.0 NE2 B:HIS425 2.0 96.6 1.0 CD2 B:HIS430 2.7 0.0 1.0 SG B:CYS409 2.7 0.9 1.0 CE1 B:HIS430 2.9 0.7 1.0 CD2 B:HIS425 3.0 92.1 1.0 CE1 B:HIS425 3.0 0.4 1.0 CB B:CYS412 3.3 0.2 1.0 N B:CYS412 3.5 0.9 1.0 CD1 B:ILE426 3.7 0.0 1.0 CG B:HIS430 3.7 0.5 1.0 ND1 B:HIS430 3.8 0.7 1.0 O B:CYS412 3.8 97.3 1.0 CA B:CYS412 3.9 0.2 1.0 ND1 B:HIS425 4.1 96.0 1.0 CB B:ILE411 4.1 91.1 1.0 CG B:HIS425 4.1 89.0 1.0 CB B:CYS409 4.2 0.5 1.0 C B:CYS412 4.3 0.8 1.0 C B:ILE411 4.4 99.9 1.0 CG1 B:ILE411 4.5 89.6 1.0 CA B:ILE411 4.7 94.7 1.0 N B:ILE411 4.7 95.0 1.0 CG1 B:ILE426 4.8 0.9 1.0 CD B:LYS429 4.8 83.5 1.0 CD1 B:ILE411 4.9 83.9 1.0 CB B:LYS429 5.0 80.4 1.0 O B:HIS425 5.0 76.3 1.0 NZ B:LYS429 5.0 90.3 1.0

Zinc binding site 8 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn602 b:69.0 occ:1.00 NE2 B:HIS460 2.0 69.8 1.0 NE2 B:HIS455 2.0 56.0 1.0 SG B:CYS442 2.0 43.4 1.0 SG B:CYS439 2.3 69.5 1.0 CE1 B:HIS460 2.8 59.5 1.0 CE1 B:HIS455 2.9 62.1 1.0 CD2 B:HIS460 3.0 70.7 1.0 CD2 B:HIS455 3.1 66.8 1.0 CB B:CYS442 3.1 43.0 1.0 CB B:CYS439 3.3 65.9 1.0 N B:CYS442 3.4 63.9 1.0 CA B:CYS442 3.8 48.3 1.0 ND1 B:HIS460 3.9 59.7 1.0 CG B:HIS460 4.0 55.0 1.0 ND1 B:HIS455 4.1 67.2 1.0 OG1 B:THR444 4.2 77.2 1.0 CG B:HIS455 4.2 67.6 1.0 CB B:HIS441 4.5 61.0 1.0 C B:HIS441 4.6 66.8 1.0 C B:CYS442 4.7 61.8 1.0 CA B:CYS439 4.7 65.0 1.0 CB B:GLN459 4.8 54.2 1.0 N B:HIS441 4.9 69.8 1.0 CA B:HIS441 4.9 64.4 1.0 O B:CYS442 4.9 75.7 1.0 C B:CYS439 5.0 75.1 1.0

Zinc binding site 9 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn603 b:82.7 occ:1.00 CB B:CYS472 2.0 47.8 1.0 NE2 B:HIS489 2.0 89.3 1.0 NE2 B:HIS485 2.0 67.5 1.0 SG B:CYS469 2.3 57.8 1.0 SG B:CYS472 2.5 76.3 1.0 CD2 B:HIS485 2.6 52.5 1.0 CD2 B:HIS489 2.7 92.0 1.0 CB B:CYS469 3.1 56.6 1.0 CE1 B:HIS489 3.1 83.9 1.0 CE1 B:HIS485 3.2 71.7 1.0 CA B:CYS472 3.3 43.9 1.0 N B:CYS472 3.6 54.1 1.0 CG B:HIS489 3.9 71.6 1.0 CG B:HIS485 3.9 48.9 1.0 ND1 B:HIS489 4.0 70.9 1.0 ND1 B:HIS485 4.1 60.9 1.0 C B:CYS472 4.2 57.5 1.0 C B:TYR471 4.5 57.9 1.0 CA B:CYS469 4.5 56.8 1.0 CB B:ALA474 4.7 45.6 1.0 N B:ASP473 4.8 60.3 1.0 O B:CYS472 4.8 74.5 1.0 O B:HIS485 4.8 76.0 1.0 N B:ALA474 4.9 50.2 1.0 CB B:TYR471 5.0 60.4 1.0 N B:TYR471 5.0 54.8 1.0

Zinc binding site 10 out of 12 in the Crystal Structure of Ctcf ZFS6-11-GB7CSE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Ctcf ZFS6-11-GB7CSE within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn604 b:0.7 occ:1.00 NE2 B:HIS513 2.0 80.3 1.0 NE2 B:HIS517 2.1 98.5 1.0 SG B:CYS500 2.3 47.2 1.0 CD2 B:HIS513 2.3 76.4 1.0 CD2 B:HIS517 2.4 95.5 1.0 SG B:CYS497 2.4 90.1 1.0 CE1 B:HIS517 3.3 0.5 1.0 CE1 B:HIS513 3.3 78.5 1.0 CB B:CYS500 3.4 58.5 1.0 CG B:HIS513 3.7 68.8 1.0 CG B:HIS517 3.7 94.8 1.0 CB B:CYS497 3.8 86.5 1.0 N B:CYS500 3.8 86.8 1.0 CA B:CYS500 4.1 69.6 1.0 ND1 B:HIS513 4.1 69.2 1.0 ND1 B:HIS517 4.1 0.7 1.0 O B:CYS500 4.4 89.4 1.0 C B:CYS500 4.5 73.1 1.0 O B:HIS513 4.6 88.8 1.0 CB B:GLN499 4.6 0.4 1.0 CB B:TYR502 4.7 61.4 1.0 C B:GLN499 4.7 0.5 1.0 CB B:HIS513 4.9 58.8 1.0 CB B:HIS517 4.9 92.8 1.0 C B:HIS513 4.9 79.8 1.0 CA B:GLN499 5.0 0.9 1.0 N B:GLN499 5.0 0.1 1.0

M.Yin, J.Wang, M.Wang, X.Li, M.Zhang, Q.Wu, Y.Wang. Molecular Mechanism of Directional Ctcf Recognition of A Diverse Range of Genomic Sites Cell Res. V. 27 1365 2017.
ISSN: ISSN 1748-7838
PubMed: 29076501
DOI: 10.1038/CR.2017.131