Calcium in the structure of Solution Structure Of A Catalytic Domain of Mmp-2 Complexed With Sc-74020 (pdb 1hov)
The binding sites of Calcium atom in the structure of Solution Structure Of A Catalytic Domain of Mmp-2 Complexed With Sc-74020 (pdb code 1hov). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1hov structure was solved by Y.FENG, J.J.LIKOS, L.ZHU, H.WOODWARD, G.MUNIE, J.J.MCDONALD, A.M.STEVENS, C.P.HOWARD, G.A.DE CRESCENZO, D.WELSCH, H.-S.SHIEH, W.C.STALLINGS, with NMR in Solution technique. |
Calcium Binding Sites:Calcium binding site 1 out of 2 in 1hov
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1hov. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp77, A: Gly78, A: Lys79, A: Asp80, A: Gly81, A: Leu82, A: Leu83, A: Asp100, A: Glu103, A: Trp105, A: Pro89, A: Gly123, A: His124, A: Ala125, A: Met126, A: Gly127, A: Leu128, A: Leu161, A: Trp43, A: Glu121, A: Phe122, A: Gly123, A: His124, A: Ala125, A: Met126, A: Gly127, A: Tyr162, A: Lys13, A: Phe122, A: Gly123, A: His124, A: Ala125, A: Met126, A: Gly127, A: Tyr162, A: Gly123, A: His124, A: Ala125, A: Met126, A: Gly127, A: Leu128, A: Trp43, A: Phe122, A: Gly123, A: His124, A: Met126, A: Leu128, A: Met138, A: Ile158, A: Trp11, A: Phe122, A: Gly123, A: His124, A: Ala125, A: Met126, A: Gly127, A: Leu161, A: Tyr162, A: Val32, A: Ala35, A: Phe36, A: Ala39, A: Leu114, A: Phe115, A: Val117, A: Ala118, A: Ala119, A: Phe122, A: Phe122, A: Gly123, A: His124, A: Ala125, A: Met126, A: Gly127, A: Leu128, A: Ile158, A: Leu161, A: Tyr162, | conact list:
Atom | Atom | Distance (A) | Ca | O A:Asp77 | 4.88 | Ca | HB2 A:Asp77 | 4.95 | Ca | CB A:Asp77 | 4.58 | Ca | OD2 A:Asp77 | 2.64 | Ca | OD1 A:Asp77 | 2.90 | Ca | C A:Asp77 | 4.48 | Ca | CG A:Asp77 | 3.09 | Ca | O A:Gly78 | 2.59 | Ca | N A:Gly78 | 3.96 | Ca | HA2 A:Gly78 | 3.84 | Ca | H A:Gly78 | 4.02 | Ca | C A:Gly78 | 3.36 | Ca | CA A:Gly78 | 3.95 | Ca | N A:Lys79 | 4.25 | Ca | C A:Lys79 | 3.60 | Ca | CA A:Lys79 | 4.55 | Ca | O A:Lys79 | 2.50 | Ca | O A:Asp80 | 2.57 | Ca | N A:Asp80 | 4.38 | Ca | HA A:Asp80 | 4.13 | Ca | C A:Asp80 | 3.66 | Ca | CA A:Asp80 | 4.31 | Ca | O A:Gly81 | 4.65 | Ca | N A:Gly81 | 4.68 | Ca | C A:Gly81 | 4.42 | Ca | CA A:Gly81 | 4.88 | Ca | HA3 A:Gly81 | 4.70 | Ca | N A:Leu82 | 4.32 | Ca | CB A:Leu82 | 4.89 | Ca | CD1 A:Leu82 | 4.95 | Ca | CD2 A:Leu82 | 4.99 | Ca | C A:Leu82 | 3.74 | Ca | CG A:Leu82 | 4.21 | Ca | CA A:Leu82 | 4.54 | Ca | O A:Leu82 | 2.57 | Ca | HG A:Leu82 | 3.14 | Ca | H A:Leu82 | 4.51 | Ca | HD13 A:Leu82 | 4.79 | Ca | HD12 A:Leu82 | 4.97 | Ca | HD23 A:Leu82 | 4.59 | Ca | N A:Leu83 | 4.69 | Ca | HD22 A:Leu83 | 3.76 | Ca | CD2 A:Leu83 | 4.56 | Ca | CA A:Leu83 | 4.76 | Ca | HA A:Leu83 | 3.88 | Ca | HD23 A:Leu83 | 4.35 | Ca | HB2 A:Asp100 | 4.01 | Ca | CB A:Asp100 | 3.89 | Ca | HB3 A:Asp100 | 4.01 | Ca | OD2 A:Asp100 | 2.67 | Ca | OD1 A:Asp100 | 2.87 | Ca | CG A:Asp100 | 2.83 | Ca | OE1 A:Glu103 | 3.13 | Ca | OE2 A:Glu103 | 2.48 | Ca | CD A:Glu103 | 3.15 | Ca | CG A:Glu103 | 4.63 | Ca | HG2 A:Glu103 | 4.93 | Ca | HH2 A:Trp105 | 4.40 |
| interactive model:
| Calcium binding site 2 out of 2 in 1hov
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1hov. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Trp11, A: Ala59, A: Asp60, A: Ile61, A: Met62, A: Gly90, A: Gly92, A: Val93, A: Gly94, A: Gly95, A: Asp96, A: I52800, A: Pro140, A: Pro140, A: I52800, A: Gln132, A: Pro140, A: Lys79, A: Asp80, A: Gly81, A: Glu103, A: Tyr112, A: His70, A: Gly71, A: Asp72, A: Gly73, A: Pro140, A: Ile141, A: I52800, | conact list:
Atom | Atom | Distance (A) | Ca | HE1 A:Trp11 | 4.33 | Ca | O A:Ala59 | 4.97 | Ca | O A:Asp60 | 2.45 | Ca | HA A:Asp60 | 4.75 | Ca | C A:Asp60 | 3.60 | Ca | CA A:Asp60 | 4.83 | Ca | N A:Ile61 | 4.17 | Ca | CB A:Ile61 | 4.96 | Ca | CG2 A:Ile61 | 4.85 | Ca | C A:Ile61 | 4.33 | Ca | CA A:Ile61 | 3.79 | Ca | HA A:Ile61 | 2.83 | Ca | HG23 A:Ile61 | 4.00 | Ca | HB2 A:Met62 | 4.43 | Ca | N A:Met62 | 3.95 | Ca | HG3 A:Met62 | 4.51 | Ca | CB A:Met62 | 5.00 | Ca | CG A:Met62 | 4.84 | Ca | SD A:Met62 | 4.26 | Ca | H A:Met62 | 3.18 | Ca | O A:Gly90 | 4.83 | Ca | O A:Gly92 | 2.47 | Ca | N A:Gly92 | 4.45 | Ca | HA2 A:Gly92 | 4.38 | Ca | H A:Gly92 | 4.41 | Ca | C A:Gly92 | 3.38 | Ca | CA A:Gly92 | 4.32 | Ca | N A:Val93 | 4.07 | Ca | C A:Val93 | 3.29 | Ca | CA A:Val93 | 4.05 | Ca | O A:Val93 | 3.17 | Ca | HA A:Val93 | 4.06 | Ca | H A:Val93 | 4.93 | Ca | O A:Gly94 | 2.54 | Ca | N A:Gly94 | 3.52 | Ca | HA2 A:Gly94 | 4.25 | Ca | H A:Gly94 | 4.06 | Ca | C A:Gly94 | 2.68 | Ca | CA A:Gly94 | 3.68 | Ca | HA3 A:Gly94 | 4.48 | Ca | O A:Gly95 | 3.57 | Ca | N A:Gly95 | 2.83 | Ca | HA2 A:Gly95 | 3.96 | Ca | H A:Gly95 | 3.48 | Ca | C A:Gly95 | 2.84 | Ca | CA A:Gly95 | 2.88 | Ca | HA3 A:Gly95 | 2.64 | Ca | HB2 A:Asp96 | 4.47 | Ca | N A:Asp96 | 2.84 | Ca | CB A:Asp96 | 3.89 | Ca | HB3 A:Asp96 | 4.65 | Ca | HA A:Asp96 | 3.91 | Ca | OD2 A:Asp96 | 3.00 | Ca | H A:Asp96 | 2.78 | Ca | OD1 A:Asp96 | 2.44 | Ca | CG A:Asp96 | 2.80 | Ca | CA A:Asp96 | 3.77 |
| interactive model:
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