Vanadium in the structure of Crystal Structure of Guanosine-Free Ribonuclease T1, Complexed With Vanadate(V), Suggests Conformational Change Upon Substrate Binding (pdb 3rnt)

The binding sites of Vanadium atom in the structure of Crystal Structure of Guanosine-Free Ribonuclease T1, Complexed With Vanadate(V), Suggests Conformational Change Upon Substrate Binding (pdb code 3rnt). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 3rnt structure was solved by D.KOSTREWA, H.-W.CHOE, U.HEINEMANN, W.SAENGER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.8 Space group P212121 a (A) 48.820 b (A) 46.530 c (A) 41.200 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 3rnt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 3rnt. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Vanadium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Tyr38, A: His40, A: Glu58, A: Arg77, A: His92, A: Asn98, A: Phe100, A: Vo4106, A: Hoh175, A: Hoh176, A: Hoh183, A: Hoh266, conact list: Atom Atom Distance (A) V CZ A:Tyr38 4.36 V CE1 A:Tyr38 4.23 V OH A:Tyr38 3.58 V NE2 A:His40 4.28 V CE1 A:His40 4.26 V OE1 A:Glu58 3.89 V OE2 A:Glu58 3.39 V CD A:Glu58 4.02 V CD A:Arg77 4.79 V CZ A:Arg77 4.36 V NE A:Arg77 3.82 V NH2 A:Arg77 3.95 V NE2 A:His92 3.52 V CD2 A:His92 4.52 V CE1 A:His92 4.36 V OD1 A:Asn98 4.49 V CZ A:Phe100 4.37 V CE1 A:Phe100 4.97 V O1 A:Vo4106 1.73 V O2 A:Vo4106 1.70 V O4 A:Vo4106 1.74 V O3 A:Vo4106 1.68 V V A:Vo4106 0.00 V O A:Hoh175 4.53 V O A:Hoh176 4.02 V O A:Hoh183 3.79 V O A:Hoh266 4.89 interactive model: