Zinc in PDB 4bld: Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI3P Complex

The structure of Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI3P Complex, PDB code: 4bld 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)	19.940 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	116.610, 136.550, 116.740, 90.00, 105.25, 90.00
R / Rfree (%)	20.11 / 23.43

The binding sites of Zinc atom in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI3P Complex (pdb code 4bld). 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)- GLI3P Complex, PDB code: 4bld:
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)- GLI3P 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)- GLI3P Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn910 b:66.0 occ:1.00 OE2 B:GLU222 1.9 0.2 1.0 NE2 A:HIS753 2.0 0.0 1.0 ND1 A:HIS751 2.0 60.0 1.0 OE1 B:GLU222 2.1 0.7 1.0 CD B:GLU222 2.2 67.2 1.0 NE2 B:HIS216 2.2 93.7 1.0 CD2 A:HIS753 2.5 0.3 1.0 CE1 A:HIS751 2.6 57.4 1.0 CD2 B:HIS216 3.1 75.0 1.0 CE1 A:HIS753 3.2 0.2 1.0 CE1 B:HIS216 3.2 0.8 1.0 CG A:HIS751 3.3 62.5 1.0 CG B:GLU222 3.5 68.0 1.0 CG A:HIS753 3.7 0.6 1.0 NE2 A:HIS751 3.8 55.6 1.0 O A:ARG443 3.9 60.3 1.0 CB A:HIS751 3.9 63.8 1.0 ND1 A:HIS753 4.0 61.0 1.0 CD2 A:HIS751 4.2 62.6 1.0 CG B:HIS216 4.3 67.7 1.0 ND1 B:HIS216 4.3 65.0 1.0 CZ A:PHE403 4.4 88.6 1.0 CB B:HIS220 4.4 67.9 1.0 CE2 A:PHE403 4.6 94.9 1.0 CG B:HIS220 4.6 90.8 1.0 CB B:GLU222 4.7 66.0 1.0 C A:ARG443 5.0 56.3 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI3P 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)- GLI3P Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn910 b:75.1 occ:1.00 OE2 C:GLU222 2.0 69.2 1.0 NE2 B:HIS753 2.0 0.4 1.0 NE2 C:HIS216 2.0 69.6 1.0 ND1 B:HIS751 2.0 64.0 1.0 CD2 B:HIS753 2.1 0.9 1.0 CD C:GLU222 2.8 72.5 1.0 CE1 C:HIS216 2.9 67.5 1.0 CE1 B:HIS751 3.0 67.2 1.0 CG B:HIS751 3.1 63.0 1.0 CD2 C:HIS216 3.1 67.6 1.0 OE1 C:GLU222 3.1 66.1 1.0 CE1 B:HIS753 3.3 99.4 1.0 CG B:HIS753 3.4 0.6 1.0 CB B:HIS751 3.4 63.6 1.0 ND1 B:HIS753 4.0 96.1 1.0 ND1 C:HIS216 4.1 66.5 1.0 NE2 B:HIS751 4.1 62.2 1.0 CD2 B:HIS751 4.2 61.9 1.0 CG C:GLU222 4.2 69.7 1.0 CG C:HIS216 4.2 68.4 1.0 CG C:HIS220 4.2 82.0 1.0 CB C:HIS220 4.4 78.6 1.0 CD2 C:HIS220 4.4 83.6 1.0 O B:ARG443 4.6 82.9 1.0 CB B:HIS753 4.6 0.9 1.0 ND1 C:HIS220 4.6 87.0 1.0 O B:HIS750 4.7 73.5 1.0 CZ B:PHE403 4.7 75.8 1.0 CE2 B:PHE403 4.8 75.8 1.0 CA B:HIS751 4.9 70.6 1.0 NE2 C:HIS220 4.9 77.5 1.0 CE1 C:HIS220 5.0 82.3 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI3P 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)- GLI3P Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn910 b:57.6 occ:1.00 OE2 D:GLU222 2.0 66.5 1.0 NE2 C:HIS753 2.0 0.9 1.0 ND1 C:HIS751 2.0 52.8 1.0 NE2 D:HIS216 2.0 58.7 1.0 CD2 C:HIS753 2.0 0.8 1.0 CD D:GLU222 2.8 58.3 1.0 CE1 C:HIS751 2.9 52.6 1.0 CD2 D:HIS216 3.0 51.7 1.0 CE1 D:HIS216 3.0 61.0 1.0 CG C:HIS751 3.1 52.1 1.0 OE1 D:GLU222 3.1 55.1 1.0 CE1 C:HIS753 3.3 0.1 1.0 CG C:HIS753 3.3 0.1 1.0 CB C:HIS751 3.5 60.6 1.0 ND1 C:HIS753 3.9 0.6 1.0 NE2 C:HIS751 4.1 51.8 1.0 CG D:HIS216 4.1 51.5 1.0 ND1 D:HIS216 4.1 53.4 1.0 CD2 C:HIS751 4.2 54.8 1.0 CG D:GLU222 4.2 52.5 1.0 O C:ARG443 4.3 52.6 1.0 CB D:HIS220 4.4 53.4 1.0 CG D:HIS220 4.4 57.5 1.0 CB C:HIS753 4.5 96.2 1.0 ND1 D:HIS220 4.6 56.5 1.0 CZ C:PHE403 4.6 58.4 1.0 CD2 D:HIS220 4.8 56.1 1.0 CE2 C:PHE403 4.8 65.8 1.0 O C:HIS750 4.9 77.0 1.0 CA C:HIS751 5.0 52.2 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Human Suppressor of Fused (Sufu)- GLI3P 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)- GLI3P Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn910 b:74.1 occ:1.00 OE2 A:GLU222 2.0 64.7 1.0 NE2 D:HIS753 2.0 97.7 1.0 NE2 A:HIS216 2.0 70.8 1.0 ND1 D:HIS751 2.0 64.2 1.0 CD2 D:HIS753 2.0 90.6 1.0 CD A:GLU222 2.8 74.3 1.0 CE1 D:HIS751 2.9 63.6 1.0 OE1 A:GLU222 2.9 76.3 1.0 CD2 A:HIS216 2.9 60.7 1.0 CE1 A:HIS216 3.0 71.9 1.0 CG D:HIS751 3.1 80.2 1.0 CE1 D:HIS753 3.3 94.6 1.0 CG D:HIS753 3.4 85.0 1.0 CB D:HIS751 3.5 77.5 1.0 ND1 D:HIS753 3.9 89.8 1.0 NE2 D:HIS751 4.1 62.4 1.0 CG A:HIS216 4.1 60.3 1.0 ND1 A:HIS216 4.1 68.6 1.0 CG A:GLU222 4.2 64.1 1.0 CD2 D:HIS751 4.2 80.2 1.0 CG A:HIS220 4.2 80.7 1.0 CB A:HIS220 4.3 81.8 1.0 ND1 A:HIS220 4.4 87.6 1.0 O D:ARG443 4.5 70.2 1.0 CZ D:PHE403 4.5 69.4 1.0 CB D:HIS753 4.5 91.2 1.0 CE2 D:PHE403 4.5 73.5 1.0 CD2 A:HIS220 4.6 77.0 1.0 CE1 A:HIS220 4.9 85.0 1.0 O D:HIS750 5.0 94.4 1.0 CA D:HIS751 5.0 71.0 1.0 NE2 A:HIS220 5.0 66.2 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