Chlorine in PDB 4g1e: Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.

The structure of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag., PDB code: 4g1e was solved by X.Dong, L.Mi, J.Zhu, W.Wang, B.Luo, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.52 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	128.558, 128.558, 352.859, 90.00, 90.00, 120.00
R / Rfree (%)	24.1 / 26.1

The structure of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Calcium	(Ca)	6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. (pdb code 4g1e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag., PDB code: 4g1e:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2043 b:0.8 occ:1.00 O A:HOH2109 3.4 52.0 1.0 NH1 B:ARG563 3.8 99.8 1.0 NH2 B:ARG563 4.0 95.2 1.0 CZ B:ARG563 4.4 98.0 1.0 CB A:ARG303 4.4 93.6 1.0 CG A:ARG303 4.9 98.8 1.0 N A:ARG303 4.9 84.9 1.0 O A:ARG303 4.9 92.7 1.0 CD A:ARG303 5.0 0.6 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2044 b:0.7 occ:1.00 NZ A:LYS330 2.9 0.9 1.0 CE A:LYS330 3.6 0.7 1.0 OE2 A:GLU270 3.8 0.3 1.0 O A:HOH2110 4.3 80.0 1.0 CD A:LYS330 4.3 0.2 1.0 CD A:GLU270 4.5 0.2 1.0 CG A:GLU270 4.9 0.4 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2045 b:0.4 occ:1.00 O A:SER100 3.1 0.9 1.0 NH1 A:ARG99 3.2 0.3 1.0 NZ A:LYS409 4.1 0.1 1.0 CZ A:ARG99 4.1 0.1 1.0 NH2 A:ARG99 4.1 0.1 1.0 C A:SER100 4.3 0.2 1.0 CA A:LYS101 4.3 0.9 1.0 CB A:LYS101 4.7 0.4 1.0 N A:LYS101 4.8 0.5 1.0 OD1 A:ASP24 4.9 84.1 1.0 CG A:LYS101 5.0 0.4 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2046 b:88.1 occ:1.00 N A:ARG888 3.9 0.2 1.0 CA A:GLY887 4.2 0.2 1.0 CB A:PRO819 4.5 0.3 1.0 C A:GLY887 4.6 0.5 1.0 NZ A:LYS792 4.6 0.6 1.0 CB A:ARG888 4.6 97.3 1.0 CA A:ARG888 4.9 0.2 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2020 b:0.8 occ:1.00 O B:HOH2123 2.8 73.8 1.0 N B:MET535 3.4 0.7 1.0 CB B:MET535 3.8 0.7 1.0 CA B:GLU534 4.1 0.6 1.0 NE B:ARG530 4.2 0.0 1.0 CA B:MET535 4.2 0.5 1.0 C B:GLU534 4.3 0.3 1.0 NH2 B:ARG530 4.3 0.9 1.0 O B:GLY533 4.6 0.0 1.0 CZ B:ARG530 4.8 0.9 1.0 CE B:MET535 4.8 0.9 1.0 CB B:GLU534 4.9 0.4 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2021 b:89.6 occ:1.00 N B:TYR556 3.5 0.9 1.0 CB B:TYR556 3.8 0.6 1.0 CA B:GLY555 4.2 97.3 1.0 CA B:TYR556 4.2 0.5 1.0 C B:GLY555 4.3 97.3 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Integrin Alpha V Beta 3 with Coil-Coiled Tag. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2022 b:0.3 occ:1.00 N B:GLY555 3.7 0.4 1.0 O B:GLY555 3.9 96.5 1.0 NZ B:LYS402 4.0 0.2 1.0 C B:GLY555 4.4 97.3 1.0 CA B:THR554 4.4 0.4 1.0 CA B:GLY555 4.5 97.3 1.0 C B:THR554 4.5 0.9 1.0 CB B:THR554 4.6 0.1 1.0 SG B:CYS549 4.8 0.2 1.0 CG2 B:THR554 5.0 0.7 1.0

X.Dong, L.Z.Mi, J.Zhu, W.Wang, P.Hu, B.H.Luo, T.A.Springer. Alphav BETA3 Integrin Crystal Structures and Their Functional Implications Biochemistry V. 51 8814 2012.
ISSN: ISSN 0006-2960
PubMed: 23106217
DOI: 10.1021/BI300734N