Cadmium in PDB 1bhq: Mac-1 I Domain Cadmium Complex

The structure of Mac-1 I Domain Cadmium Complex, PDB code: 1bhq was solved by E.T.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.420, 122.390, 75.360, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Cadmium atom in the Mac-1 I Domain Cadmium Complex (pdb code 1bhq). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Mac-1 I Domain Cadmium Complex, PDB code: 1bhq:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Mac-1 I Domain Cadmium Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Mac-1 I Domain Cadmium Complex within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cd901 b:11.2 occ:1.00 OG 1:SER142 2.3 6.0 1.0 O 1:HOH907 2.5 2.0 1.0 OD1 1:ASP242 2.6 8.4 1.0 OG 1:SER144 2.6 6.6 1.0 O 1:HOH24 2.8 2.0 1.0 OD2 1:ASP242 3.1 9.8 1.0 CG 1:ASP242 3.1 8.6 1.0 CB 1:SER142 3.4 3.6 1.0 OG1 1:THR209 3.7 2.0 1.0 OD2 1:ASP140 3.9 3.5 1.0 CB 1:SER144 3.9 3.1 1.0 O 1:ASP242 4.1 4.4 1.0 C 1:ASP242 4.1 4.4 1.0 N 1:GLY243 4.1 5.0 1.0 CA 1:GLY243 4.1 6.7 1.0 O 1:HOH803 4.2 4.3 1.0 OD1 1:ASP140 4.4 3.3 1.0 N 1:SER144 4.4 3.1 1.0 CB 1:ASP242 4.5 6.2 1.0 CG 1:ASP140 4.5 2.3 1.0 CA 1:SER144 4.6 2.9 1.0 CA 1:SER142 4.7 2.4 1.0 CG1 1:ILE145 4.7 2.0 1.0 CA 1:ASP242 4.8 4.4 1.0 C 1:SER142 4.9 2.1 1.0 O 1:HOH2 4.9 31.4 1.0 N 1:ASP242 4.9 3.7 1.0

Cadmium binding site 2 out of 3 in the Mac-1 I Domain Cadmium Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Mac-1 I Domain Cadmium Complex within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cd702 b:14.9 occ:0.70 OD2 2:ASP542 1.9 15.5 1.0 OG 2:SER444 2.0 14.8 1.0 OG 2:SER442 2.2 15.1 1.0 CB 2:SER442 2.8 15.2 1.0 O 2:HOH18 2.9 9.4 1.0 CG 2:ASP542 3.1 16.9 1.0 CB 2:SER444 3.3 14.9 1.0 O 2:HOH64 3.4 8.0 1.0 CB 2:ASP542 3.6 16.0 1.0 OG1 2:THR509 3.8 13.6 1.0 OD1 2:ASP542 4.0 18.1 1.0 OD2 2:ASP440 4.1 14.6 1.0 CA 2:SER442 4.3 15.1 1.0 OD1 2:ASP440 4.3 12.6 1.0 C 2:ASP542 4.3 15.3 1.0 CA 2:SER444 4.4 14.6 1.0 O 2:ASP542 4.5 15.5 1.0 N 2:GLY543 4.5 14.7 1.0 N 2:SER444 4.6 15.0 1.0 O 2:HOH20 4.6 20.9 1.0 CG 2:ASP440 4.6 13.6 1.0 CA 2:ASP542 4.6 14.8 1.0 C 2:SER442 4.8 15.7 1.0 CG1 2:ILE445 4.9 12.7 1.0 CA 2:GLY543 4.9 14.3 1.0

Cadmium binding site 3 out of 3 in the Mac-1 I Domain Cadmium Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Mac-1 I Domain Cadmium Complex within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cd811 b:13.9 occ:0.50 O 1:HOH54 2.1 21.0 1.0 OD1 1:ASP149 2.2 4.3 1.0 OD2 1:ASP149 2.4 4.0 1.0 O 1:HOH53 2.6 11.1 1.0 CG 1:ASP149 2.6 4.4 1.0 O 1:HOH25 3.5 37.8 1.0 O 1:HOH946 3.8 7.4 1.0 CB 1:ASP149 4.0 3.3 1.0 O 1:HOH804 4.1 13.3 1.0 NE2 1:HIS148 4.2 7.8 1.0 CD1 1:ILE146 4.3 5.1 1.0 CB 1:ASN301 4.6 6.5 1.0 N 1:PHE302 4.6 3.3 1.0 OE1 1:GLU303 4.7 16.7 1.0 CD2 1:HIS148 4.7 5.3 1.0 NH2 1:ARG152 4.7 16.2 1.0 NE 1:ARG152 4.8 14.6 1.0 CG1 1:ILE146 4.8 4.2 1.0 CZ 1:ARG152 4.9 16.8 1.0 CA 1:ASP149 5.0 2.1 1.0

E.T.Baldwin, R.W.Sarver, G.L.Bryant Jr., K.A.Curry, M.B.Fairbanks, B.C.Finzel, R.L.Garlick, R.L.Heinrikson, N.C.Horton, L.L.Kelley, A.M.Mildner, J.B.Moon, J.E.Mott, V.T.Mutchler, C.S.Tomich, K.D.Watenpaugh, V.H.Wiley. Cation Binding to the Integrin CD11B I Domain and Activation Model Assessment Structure V. 6 923 1998.
ISSN: ISSN 0969-2126
PubMed: 9687375
DOI: 10.1016/S0969-2126(98)00093-8