Zinc in PDB 4blb: Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex

The structure of Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex, PDB code: 4blb was solved by A.L.Cherry, C.Finta, M.Karlstrom, D.De Sanctis, R.Toftgard, L.Jovine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.985 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	116.300, 137.600, 116.540, 90.00, 105.49, 90.00
R / Rfree (%)	19.68 / 23.44

The binding sites of Zinc atom in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex (pdb code 4blb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex, PDB code: 4blb:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex


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 A Human Suppressor of Fused (Sufu)- GLI1P Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn910 b:75.0 occ:1.00 OE2 B:GLU222 1.9 0.3 1.0 ND1 A:HIS751 2.0 73.7 1.0 NE2 B:HIS216 2.1 79.4 1.0 NE2 A:HIS753 2.1 72.8 1.0 OE1 B:GLU222 2.1 92.9 1.0 CD B:GLU222 2.3 88.6 1.0 CD2 A:HIS753 2.4 76.7 1.0 CE1 A:HIS751 2.8 73.5 1.0 CD2 B:HIS216 3.0 72.5 1.0 CE1 B:HIS216 3.1 76.7 1.0 CG A:HIS751 3.2 81.7 1.0 CE1 A:HIS753 3.4 0.2 1.0 CB A:HIS751 3.7 79.3 1.0 CG A:HIS753 3.7 74.8 1.0 CG B:GLU222 3.8 65.8 1.0 NE2 A:HIS751 4.0 73.0 1.0 O A:ARG443 4.1 77.1 1.0 ND1 A:HIS753 4.1 71.8 1.0 CG B:HIS216 4.2 69.9 1.0 ND1 B:HIS216 4.2 67.7 1.0 CD2 A:HIS751 4.2 86.9 1.0 CB B:HIS220 4.4 63.2 1.0 CG B:HIS220 4.5 63.2 1.0 CZ A:PHE403 4.6 89.1 1.0 CD2 B:HIS220 4.8 76.1 1.0 CE2 A:PHE403 4.8 90.6 1.0 CB B:GLU222 4.8 64.5 1.0 ND1 B:HIS220 4.9 99.4 1.0 CB A:HIS753 4.9 82.1 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex


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 A Human Suppressor of Fused (Sufu)- GLI1P Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn910 b:98.4 occ:1.00 OE2 C:GLU222 1.9 0.7 1.0 ND1 B:HIS751 2.0 95.3 1.0 NE2 B:HIS753 2.0 95.5 1.0 NE2 C:HIS216 2.0 65.5 1.0 CD2 B:HIS753 2.1 0.7 1.0 CD C:GLU222 2.8 99.2 1.0 CE1 B:HIS751 2.9 94.4 1.0 CD2 C:HIS216 3.0 76.5 1.0 CG B:HIS751 3.1 95.7 1.0 CE1 C:HIS216 3.1 82.5 1.0 OE1 C:GLU222 3.2 91.7 1.0 CE1 B:HIS753 3.3 93.4 1.0 CG B:HIS753 3.5 0.1 1.0 CB B:HIS751 3.5 96.0 1.0 ND1 B:HIS753 4.0 94.8 1.0 NE2 B:HIS751 4.0 93.4 1.0 CD2 B:HIS751 4.1 93.7 1.0 CG C:HIS216 4.2 64.7 1.0 ND1 C:HIS216 4.2 76.4 1.0 CG C:GLU222 4.2 68.3 1.0 CG C:HIS220 4.3 78.4 1.0 O B:ARG443 4.4 64.2 1.0 CB C:HIS220 4.4 69.4 1.0 CD2 C:HIS220 4.5 81.5 1.0 CZ B:PHE403 4.7 74.8 1.0 CB B:HIS753 4.7 0.3 1.0 CE2 B:PHE403 4.7 65.3 1.0 ND1 C:HIS220 4.7 86.5 1.0 O B:HIS750 4.9 0.3 1.0 CA B:HIS751 4.9 96.5 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex


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 A Human Suppressor of Fused (Sufu)- GLI1P Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn910 b:84.5 occ:1.00 OE2 D:GLU222 1.9 70.2 1.0 ND1 C:HIS751 2.0 82.3 1.0 NE2 C:HIS753 2.0 0.8 1.0 NE2 D:HIS216 2.0 71.3 1.0 CD2 C:HIS753 2.2 0.5 1.0 CD D:GLU222 2.8 72.4 1.0 CE1 C:HIS751 2.9 81.6 1.0 CD2 D:HIS216 2.9 62.4 1.0 CE1 D:HIS216 3.1 67.8 1.0 OE1 D:GLU222 3.1 83.9 1.0 CG C:HIS751 3.1 81.7 1.0 CE1 C:HIS753 3.3 1.0 1.0 CG C:HIS753 3.5 0.6 1.0 CB C:HIS751 3.5 82.4 1.0 NE2 C:HIS751 4.0 80.6 1.0 ND1 C:HIS753 4.0 83.4 1.0 CG D:HIS216 4.1 71.9 1.0 CD2 C:HIS751 4.1 80.6 1.0 ND1 D:HIS216 4.2 63.7 1.0 CG D:GLU222 4.2 63.4 1.0 CG D:HIS220 4.3 97.6 1.0 CB D:HIS220 4.3 64.0 1.0 O C:ARG443 4.3 67.0 1.0 ND1 D:HIS220 4.5 66.3 1.0 CZ C:PHE403 4.6 64.7 1.0 CD2 D:HIS220 4.7 98.6 1.0 CB C:HIS753 4.7 0.6 1.0 CE2 C:PHE403 4.7 94.5 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI1P Complex


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 A Human Suppressor of Fused (Sufu)- GLI1P Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn910 b:93.8 occ:1.00 OE2 A:GLU222 1.9 99.8 1.0 ND1 D:HIS751 2.0 92.0 1.0 NE2 D:HIS753 2.0 1.0 1.0 NE2 A:HIS216 2.1 67.5 1.0 CD2 D:HIS753 2.2 94.6 1.0 CD A:GLU222 2.7 93.8 1.0 OE1 A:GLU222 2.8 99.0 1.0 CE1 D:HIS751 2.8 90.5 1.0 CD2 A:HIS216 2.9 74.4 1.0 CG D:HIS751 3.1 0.2 1.0 CE1 A:HIS216 3.2 83.7 1.0 CE1 D:HIS753 3.3 0.0 1.0 CG D:HIS753 3.5 94.9 1.0 CB D:HIS751 3.6 0.2 1.0 NE2 D:HIS751 4.0 90.2 1.0 ND1 D:HIS753 4.0 92.3 1.0 CD2 D:HIS751 4.1 0.3 1.0 CG A:GLU222 4.1 70.0 1.0 CG A:HIS216 4.2 65.7 1.0 ND1 A:HIS216 4.2 87.2 1.0 O D:ARG443 4.3 68.7 1.0 CG A:HIS220 4.4 77.8 1.0 CB A:HIS220 4.4 73.7 1.0 CZ D:PHE403 4.6 85.7 1.0 CE2 D:PHE403 4.6 92.9 1.0 CB D:HIS753 4.7 0.2 1.0 ND1 A:HIS220 4.7 87.2 1.0 CD2 A:HIS220 4.8 77.0 1.0

A.L.Cherry, C.Finta, M.Karlstrom, Q.Jin, T.Schwend, J.Astorga-Wells, R.A.Zubarev, M.Del Campo, A.R.Criswell, D.De Sanctis, L.Jovine, R.Toftgard. Structural Basis of Sufu-Gli Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D V. 69 2579 2013.
ISSN: ISSN 0907-4449
PubMed: 24311597
DOI: 10.1107/S0907444913028473