Copper in PDB 6gtj: Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution

All present enzymatic activity of Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution:
1.7.2.1;

The binding sites of Copper atom in the Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution (pdb code 6gtj). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution, PDB code: 6gtj:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:7.6 occ:1.00 ND1 A:HIS145 2.0 10.8 1.0 ND1 A:HIS95 2.1 10.5 1.0 SG A:CYS136 2.2 11.0 1.0 SD A:MET150 2.6 11.2 1.0 CE1 A:HIS145 2.8 9.8 1.0 DE1 A:HIS145 2.9 11.8 1.0 DB3 A:HIS145 3.0 11.8 1.0 DB3 A:HIS95 3.0 15.0 1.0 CE1 A:HIS95 3.0 13.4 1.0 CG A:HIS145 3.1 10.8 1.0 CG A:HIS95 3.1 13.9 1.0 DA A:HIS95 3.1 16.6 1.0 CB A:CYS136 3.2 12.9 1.0 DE1 A:HIS95 3.2 16.0 1.0 DB3 A:CYS136 3.3 15.4 1.0 DE1 A:MET150 3.3 13.7 1.0 DB2 A:CYS136 3.3 15.4 1.0 CE A:MET150 3.4 11.5 1.0 CB A:HIS95 3.4 12.6 1.0 DG3 A:PRO138 3.4 15.5 1.0 DE2 A:MET150 3.6 13.7 1.0 CB A:HIS145 3.6 9.9 1.0 D A:ASN96 3.8 13.8 1.0 CA A:HIS95 3.8 13.8 1.0 NE2 A:HIS145 4.0 11.3 1.0 CG A:MET150 4.0 9.4 1.0 DB3 A:MET62 4.1 10.5 1.0 CD2 A:HIS145 4.1 13.0 1.0 DD3 A:PRO138 4.1 12.8 1.0 NE2 A:HIS95 4.1 14.9 1.0 O A:LEU94 4.2 14.2 1.0 DG2 A:MET150 4.2 11.2 1.0 DB2 A:HIS145 4.2 11.8 1.0 DG2 A:PRO138 4.2 15.5 1.0 CD2 A:HIS95 4.2 12.7 1.0 CG A:PRO138 4.2 12.9 1.0 DB3 A:MET150 4.3 10.7 1.0 SD A:MET62 4.4 11.6 1.0 DE3 A:MET150 4.4 13.7 1.0 DB2 A:HIS95 4.5 15.0 1.0 DB2 A:MET150 4.5 10.7 1.0 CB A:MET150 4.6 8.9 1.0 N A:ASN96 4.6 11.6 1.0 DA A:HIS145 4.6 13.1 1.0 CA A:CYS136 4.7 12.2 1.0 CD A:PRO138 4.7 10.7 1.0 CA A:HIS145 4.8 11.0 1.0 N A:HIS95 4.8 11.4 1.0 C A:HIS95 4.8 12.0 1.0 DE2 A:HIS145 4.9 13.5 1.0 DB2 A:MET62 4.9 10.5 1.0 DG3 A:MET150 4.9 11.2 1.0 C A:LEU94 4.9 14.2 1.0 CB A:MET62 4.9 8.8 1.0 DA A:CYS136 5.0 14.6 1.0 O A:ASN96 5.0 8.1 1.0

Copper binding site 2 out of 2 in the Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Neutron Crystal Structure For Copper Nitrite Reductase From Achromobacter Cycloclastes at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:9.7 occ:1.00 O A:HOH673 1.7 12.5 1.0 NE2 A:HIS135 2.0 8.3 1.0 NE2 A:HIS100 2.0 7.4 1.0 D1 A:HOH673 2.3 15.0 1.0 D2 A:HOH673 2.4 15.0 1.0 CE1 A:HIS100 3.0 8.4 1.0 CE1 A:HIS135 3.0 9.1 1.0 CD2 A:HIS135 3.0 9.5 1.0 CD2 A:HIS100 3.0 10.0 1.0 DE1 A:HIS100 3.2 10.1 1.0 DE1 A:HIS135 3.2 10.9 1.0 DD2 A:HIS135 3.3 11.3 1.0 DD2 A:HIS100 3.3 12.0 1.0 OD2 A:ASP98 3.5 10.6 1.0 ND1 A:HIS135 4.1 10.8 1.0 ND1 A:HIS100 4.1 8.1 1.0 CG A:HIS135 4.1 8.4 1.0 CG A:HIS100 4.2 9.9 1.0 CG A:ASP98 4.4 10.2 1.0 D2 A:HOH669 4.4 12.8 1.0 DG11 A:VAL133 4.8 10.1 1.0 OD1 A:ASP98 4.8 9.1 1.0 DB3 A:ASP98 4.8 12.1 1.0 D1 A:HOH669 4.9 12.8 1.0 DD1 A:HIS135 5.0 12.9 1.0

T.P.Halsted, K.Yamashita, C.C.Gopalasingam, R.T.Shenoy, K.Hirata, H.Ago, G.Ueno, M.P.Blakeley, R.R.Eady, S.V.Antonyuk, M.Yamamoto, S.S.Hasnain. Catalytically Important Damage-Free Structures of A Copper Nitrite Reductase Obtained By Femtosecond X-Ray Laser and Room-Temperature Neutron Crystallography. Iucrj V. 6 761 2019.
ISSN: ESSN 2052-2525
PubMed: 31316819
DOI: 10.1107/S2052252519008285