Zinc in PDB 4b86: Crystal Structure of the MSL1-MSL2 Complex (3.5A)

The structure of Crystal Structure of the MSL1-MSL2 Complex (3.5A), PDB code: 4b86 was solved by E.Hallacli, M.Lipp, P.Georgiev, C.Spielman, S.Cusack, A.Akhtar, J.Kadlec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.30 / 3.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.650, 182.210, 89.470, 90.00, 90.00, 90.00
R / Rfree (%)	25.569 / 29.668

Pages:

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

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of the MSL1-MSL2 Complex (3.5A) (pdb code 4b86). 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 the MSL1-MSL2 Complex (3.5A), PDB code: 4b86:
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 the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:69.4 occ:1.00 SG C:CYS44 2.2 66.3 1.0 SG C:CYS47 2.3 71.9 1.0 SG C:CYS67 2.5 67.0 1.0 SG C:CYS70 2.7 77.8 1.0 CB C:CYS44 3.0 61.9 1.0 CB C:CYS47 3.1 68.3 1.0 CB C:CYS67 3.4 71.2 1.0 CB C:CYS70 3.6 78.4 1.0 N C:CYS47 3.6 70.2 1.0 N C:CYS67 3.9 68.5 1.0 CA C:CYS47 4.0 69.9 1.0 CA C:CYS67 4.3 70.3 1.0 CA C:CYS44 4.5 59.6 1.0 CB C:VAL46 4.6 76.3 1.0 C C:VAL46 4.7 72.5 1.0 N C:VAL46 4.8 69.6 1.0 CA C:VAL46 5.0 73.2 1.0

Zinc binding site 2 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn202 b:76.7 occ:1.00 SG C:CYS84 1.6 77.8 1.0 ND1 C:HIS64 2.5 69.7 1.0 SG C:CYS62 2.6 75.7 1.0 SG C:CYS81 2.6 82.2 1.0 CB C:CYS62 3.0 76.7 1.0 CB C:CYS81 3.2 81.6 1.0 CE1 C:HIS64 3.3 70.4 1.0 CB C:CYS84 3.3 80.7 1.0 CG C:HIS64 3.3 67.2 1.0 N C:CYS84 3.6 87.8 1.0 CB C:HIS64 3.7 66.5 1.0 CA C:CYS84 4.0 85.9 1.0 NE2 C:HIS64 4.3 68.2 1.0 CB C:TRP83 4.3 90.7 1.0 CD2 C:HIS64 4.3 66.2 1.0 CA C:CYS62 4.4 74.2 1.0 C C:TRP83 4.4 91.4 1.0 C C:CYS62 4.5 69.4 1.0 N C:TRP83 4.6 93.8 1.0 O C:CYS62 4.6 67.9 1.0 CA C:CYS81 4.6 86.5 1.0 N C:HIS64 4.6 64.3 1.0 CA C:TRP83 4.6 93.6 1.0 C C:CYS81 4.8 90.5 1.0 CA C:HIS64 4.8 63.5 1.0 CE C:MET77 4.9 74.0 1.0 O C:CYS81 4.9 90.9 1.0

Zinc binding site 3 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn201 b:0.1 occ:1.00 SG D:CYS44 2.0 0.0 1.0 SG D:CYS47 2.3 0.8 1.0 SG D:CYS70 2.9 0.2 1.0 SG D:CYS67 3.0 0.1 1.0 CB D:CYS44 3.0 0.8 1.0 CB D:CYS47 3.2 0.6 1.0 CB D:CYS67 3.4 0.6 1.0 N D:CYS47 3.5 0.6 1.0 CB D:CYS70 3.6 0.8 1.0 CA D:CYS47 3.9 0.4 1.0 N D:CYS67 4.0 0.3 1.0 CB D:VAL46 4.2 0.8 1.0 CA D:CYS67 4.4 0.5 1.0 CA D:CYS44 4.5 98.1 1.0 C D:VAL46 4.5 0.9 1.0 N D:VAL46 4.6 0.7 1.0 CA D:VAL46 4.7 0.3 1.0 C D:CYS44 4.9 0.0 1.0 CG2 D:VAL46 5.0 0.2 1.0

Zinc binding site 4 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn202 b:1.0 occ:1.00 SG D:CYS62 1.6 0.4 1.0 CB D:CYS62 3.2 0.1 1.0 ND1 D:HIS64 3.4 0.9 1.0 CG D:HIS64 3.4 0.6 1.0 CB D:HIS64 3.6 0.4 1.0 CE1 D:HIS64 3.9 0.1 1.0 CD2 D:HIS64 3.9 0.9 1.0 CA D:CYS62 4.1 0.3 1.0 NE2 D:HIS64 4.2 0.0 1.0 O D:CYS62 4.3 0.7 1.0 C D:CYS62 4.5 0.6 1.0 CA D:HIS64 4.9 0.9 1.0 N D:HIS64 5.0 98.0 1.0

Zinc binding site 5 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn201 b:0.4 occ:1.00 SG G:CYS44 2.2 98.8 1.0 SG G:CYS70 2.3 0.6 1.0 SG G:CYS67 2.8 98.8 1.0 CB G:CYS47 2.9 0.6 1.0 CB G:CYS44 3.0 94.1 1.0 CB G:CYS67 3.1 0.4 1.0 CB G:CYS70 3.3 0.9 1.0 N G:CYS47 3.6 0.6 1.0 N G:CYS67 3.6 0.5 1.0 SG G:CYS47 3.8 0.5 1.0 CA G:CYS47 3.8 0.8 1.0 CA G:CYS67 4.0 0.1 1.0 CA G:CYS44 4.5 90.8 1.0 CB G:VAL46 4.6 0.5 1.0 CA G:CYS70 4.7 1.0 1.0 C G:VAL46 4.7 0.1 1.0 C G:VAL66 4.7 98.2 1.0 N G:CYS70 4.9 0.7 1.0 N G:VAL46 5.0 0.5 1.0 CA G:VAL66 5.0 97.3 1.0 C G:CYS44 5.0 92.7 1.0 C G:CYS67 5.0 0.7 1.0

Zinc binding site 6 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn202 b:98.8 occ:1.00 SG G:CYS62 2.2 96.5 1.0 SG G:CYS84 2.3 0.6 1.0 ND1 G:HIS64 2.5 92.3 1.0 SG G:CYS81 2.6 0.1 1.0 CB G:CYS62 3.0 94.5 1.0 CG G:HIS64 3.0 92.8 1.0 CE1 G:HIS64 3.2 93.0 1.0 CB G:HIS64 3.4 92.7 1.0 CD2 G:HIS64 3.9 93.9 1.0 CB G:CYS84 4.0 1.0 1.0 NE2 G:HIS64 4.0 94.0 1.0 CB G:CYS81 4.2 0.9 1.0 O G:CYS62 4.2 86.3 1.0 CA G:CYS62 4.2 90.1 1.0 N G:CYS84 4.3 0.5 1.0 C G:CYS62 4.3 87.0 1.0 N G:HIS64 4.4 87.0 1.0 CA G:HIS64 4.5 88.6 1.0 CA G:CYS84 4.7 0.4 1.0 CB G:TRP83 4.8 0.0 1.0 C G:TRP83 5.0 0.1 1.0 N G:GLN63 5.0 85.4 1.0

Zinc binding site 7 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn201 b:91.9 occ:1.00 SG H:CYS47 2.1 95.2 1.0 SG H:CYS44 2.3 91.0 1.0 SG H:CYS70 2.7 0.1 1.0 SG H:CYS67 3.0 84.8 1.0 CB H:CYS47 3.1 92.9 1.0 CB H:CYS44 3.1 86.1 1.0 CB H:CYS67 3.2 89.4 1.0 N H:CYS47 3.6 97.2 1.0 CA H:CYS47 4.0 96.1 1.0 CB H:CYS70 4.1 0.1 1.0 N H:CYS67 4.1 89.9 1.0 CA H:CYS67 4.3 89.5 1.0 CB H:VAL46 4.5 0.7 1.0 CA H:CYS44 4.6 84.8 1.0 C H:VAL46 4.7 0.2 1.0 OG1 H:THR69 5.0 98.1 1.0 N H:VAL46 5.0 98.8 1.0 CA H:VAL46 5.0 0.7 1.0

Zinc binding site 8 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn202 b:0.8 occ:1.00 SG H:CYS62 2.4 0.4 1.0 ND1 H:HIS64 2.4 0.4 1.0 CG H:HIS64 3.2 0.1 1.0 CB H:CYS62 3.3 0.9 1.0 CE1 H:HIS64 3.4 0.7 1.0 CB H:HIS64 3.4 99.1 1.0 CD2 H:HIS64 4.4 99.7 1.0 NE2 H:HIS64 4.4 0.2 1.0 N H:HIS64 4.6 93.8 1.0 CA H:HIS64 4.6 93.8 1.0 CA H:CYS62 4.7 0.6 1.0 C H:CYS62 4.9 99.6 1.0 OG H:SER60 4.9 0.6 1.0

Zinc binding site 9 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ K:Zn201 b:97.4 occ:1.00 SG K:CYS44 2.0 93.7 1.0 SG K:CYS47 2.3 0.0 1.0 SG K:CYS67 3.0 90.0 1.0 SG K:CYS70 3.0 0.9 1.0 CB K:CYS44 3.1 89.2 1.0 N K:CYS47 3.2 0.0 1.0 CB K:CYS47 3.2 98.2 1.0 CB K:CYS67 3.2 93.5 1.0 CB K:CYS70 3.6 0.3 1.0 N K:CYS67 3.7 91.6 1.0 CB K:VAL46 3.8 0.1 1.0 CA K:CYS47 3.8 0.7 1.0 CA K:CYS67 4.1 91.9 1.0 C K:VAL46 4.1 0.1 1.0 CA K:VAL46 4.2 0.5 1.0 N K:VAL46 4.3 0.9 1.0 CA K:CYS44 4.5 87.2 1.0 CG2 K:VAL46 4.5 0.6 1.0 CG1 K:VAL46 4.6 0.8 1.0 C K:VAL66 4.8 89.8 1.0 C K:CYS44 4.9 91.1 1.0

Zinc binding site 10 out of 12 in the Crystal Structure of the MSL1-MSL2 Complex (3.5A)


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 the MSL1-MSL2 Complex (3.5A) within 5.0Å range: probe atom residue distance (Å) B Occ K:Zn202 b:0.8 occ:1.00 ND1 K:HIS64 2.1 0.1 1.0 CE1 K:HIS64 3.0 1.0 1.0 CG K:HIS64 3.1 96.2 1.0 CB K:CYS62 3.3 98.9 1.0 SG K:CYS62 3.3 0.1 1.0 CB K:HIS64 3.5 93.8 1.0 NE2 K:HIS64 4.1 99.4 1.0 CD2 K:HIS64 4.2 95.8 1.0 CA K:CYS62 4.8 95.2 1.0 CA K:HIS64 4.8 88.7 1.0 N K:HIS64 4.8 87.5 1.0

E.Hallacli, M.Lipp, P.Georgiev, C.Spielman, S.Cusack, A.Akhtar, J.Kadlec. MSL1-Mediated Dimerization of the Dosage Compensation Complex Is Essential For Male X-Chromosome Regulation in Drosophila. Mol.Cell V. 48 587 2012.
ISSN: ISSN 1097-2765
PubMed: 23084835
DOI: 10.1016/J.MOLCEL.2012.09.014