Calcium in PDB 8x3a: Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum

The binding sites of Calcium atom in the Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum (pdb code 8x3a). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum, PDB code: 8x3a:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.0 occ:1.00 OD1 A:ASP7 2.3 0.0 1.0 OD2 A:ASP9 2.3 0.0 1.0 O A:GLU13 2.4 0.0 1.0 OD2 A:ASP18 2.4 0.0 1.0 OD1 A:ASN11 2.4 0.0 1.0 OD1 A:ASP18 2.4 0.0 1.0 OD1 A:ASP9 2.5 0.0 1.0 HG A:SER15 2.6 0.0 1.0 OG A:SER15 2.7 0.0 1.0 CG A:ASP9 2.7 0.0 1.0 CG A:ASP18 2.8 0.0 1.0 CG A:ASP7 3.5 0.0 1.0 H A:ASN11 3.6 0.0 1.0 H A:ASP9 3.6 0.0 1.0 CG A:ASN11 3.6 0.0 1.0 H A:SER15 3.6 0.0 1.0 HA A:ASP7 3.6 0.0 1.0 C A:GLU13 3.6 0.0 1.0 H A:GLU13 3.7 0.0 1.0 HA A:ILE14 3.9 0.0 1.0 HB A:ILE17 3.9 0.0 1.0 CB A:SER15 4.0 0.0 1.0 N A:SER15 4.1 0.0 1.0 CB A:ASP9 4.1 0.0 1.0 HB3 A:ASN11 4.1 0.0 1.0 H A:GLY10 4.1 0.0 1.0 HB3 A:SER15 4.2 0.0 1.0 H A:ASP18 4.2 0.0 1.0 CB A:ASP18 4.2 0.0 1.0 H A:ILE8 4.3 0.0 1.0 N A:GLU13 4.3 0.0 1.0 H A:GLY12 4.3 0.0 1.0 CB A:ASP7 4.3 0.0 1.0 HB2 A:ASP7 4.4 0.0 1.0 N A:ASP9 4.4 0.0 1.0 CB A:ASN11 4.4 0.0 1.0 OD2 A:ASP7 4.4 0.0 1.0 CA A:ASP7 4.4 0.0 1.0 N A:ASN11 4.4 0.0 1.0 HB3 A:ASP9 4.5 0.0 1.0 HB2 A:GLU13 4.5 0.0 1.0 CA A:GLU13 4.5 0.0 1.0 N A:ILE14 4.6 0.0 1.0 CA A:ILE14 4.6 0.0 1.0 HD22 A:ASN11 4.6 0.0 1.0 ND2 A:ASN11 4.6 0.0 1.0 CA A:SER15 4.6 0.0 1.0 N A:ASP18 4.7 0.0 1.0 C A:ILE14 4.7 0.0 1.0 CA A:ASP9 4.7 0.0 1.0 HB2 A:ASP18 4.7 0.0 1.0 HB2 A:SER15 4.7 0.0 1.0 N A:GLY10 4.7 0.0 1.0 N A:ILE8 4.8 0.0 1.0 HA A:ASP18 4.8 0.0 1.0 HB2 A:ASP9 4.8 0.0 1.0 HB3 A:ASP18 4.8 0.0 1.0 N A:GLY12 4.9 0.0 1.0 CA A:ASP18 4.9 0.0 1.0 C A:ASP7 4.9 0.0 1.0 CA A:ASN11 4.9 0.0 1.0

Calcium binding site 2 out of 4 in the Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:0.0 occ:1.00 OD1 A:ASP40 2.3 0.0 1.0 OD2 A:ASP51 2.3 0.0 1.0 OD1 A:ASP42 2.4 0.0 1.0 O A:TYR46 2.4 0.0 1.0 OD2 A:ASP42 2.4 0.0 1.0 OD1 A:ASP51 2.4 0.0 1.0 OD1 A:ASN44 2.5 0.0 1.0 CG A:ASP42 2.7 0.0 1.0 CG A:ASP51 2.8 0.0 1.0 ND2 A:ASN48 3.2 0.0 1.0 HD22 A:ASN48 3.2 0.0 1.0 HD21 A:ASN48 3.3 0.0 1.0 H A:ASN44 3.3 0.0 1.0 H A:ASN48 3.3 0.0 1.0 HA A:ASP40 3.4 0.0 1.0 H A:ASP42 3.4 0.0 1.0 CG A:ASP40 3.5 0.0 1.0 CG A:ASN44 3.5 0.0 1.0 HA A:VAL47 3.6 0.0 1.0 C A:TYR46 3.6 0.0 1.0 CG A:ASN48 3.7 0.0 1.0 H A:TYR46 3.8 0.0 1.0 H A:GLY43 3.8 0.0 1.0 H A:VAL41 3.9 0.0 1.0 HB2 A:ASN48 4.0 0.0 1.0 H A:GLY45 4.1 0.0 1.0 OD1 A:ASN48 4.1 0.0 1.0 CB A:ASP42 4.1 0.0 1.0 N A:ASN48 4.2 0.0 1.0 HD22 A:ASN44 4.2 0.0 1.0 CA A:ASP40 4.2 0.0 1.0 N A:ASP42 4.2 0.0 1.0 CB A:ASP40 4.2 0.0 1.0 ND2 A:ASN44 4.3 0.0 1.0 N A:ASN44 4.3 0.0 1.0 N A:TYR46 4.3 0.0 1.0 CB A:ASP51 4.3 0.0 1.0 HB2 A:TYR46 4.3 0.0 1.0 HB2 A:ASP40 4.3 0.0 1.0 OD2 A:ASP40 4.4 0.0 1.0 CB A:ASN48 4.4 0.0 1.0 N A:VAL41 4.4 0.0 1.0 N A:GLY43 4.4 0.0 1.0 CA A:VAL47 4.4 0.0 1.0 N A:VAL47 4.5 0.0 1.0 CA A:TYR46 4.5 0.0 1.0 CB A:ASN44 4.5 0.0 1.0 HB3 A:ASP42 4.5 0.0 1.0 HB3 A:ASN44 4.6 0.0 1.0 CA A:ASP42 4.6 0.0 1.0 C A:ASP40 4.6 0.0 1.0 N A:GLY45 4.7 0.0 1.0 HB2 A:ASP51 4.7 0.0 1.0 HB3 A:ASP51 4.7 0.0 1.0 HB2 A:ASP42 4.8 0.0 1.0 HG23 A:VAL41 4.8 0.0 1.0 CA A:ASN44 4.8 0.0 1.0 C A:VAL47 4.8 0.0 1.0 H A:ASP51 4.9 0.0 1.0 C A:ASP42 4.9 0.0 1.0 CA A:ASN48 4.9 0.0 1.0 CB A:TYR46 5.0 0.0 1.0 HA A:ASP51 5.0 0.0 1.0

Calcium binding site 3 out of 4 in the Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:0.0 occ:1.00 OD1 A:ASP78 2.3 0.0 1.0 OD1 A:ASP89 2.3 0.0 1.0 OD1 A:ASP86 2.3 0.0 1.0 OD2 A:ASP80 2.5 0.0 1.0 OD1 A:ASP80 2.5 0.0 1.0 OD1 A:ASN82 2.6 0.0 1.0 O A:ILE84 2.6 0.0 1.0 OD2 A:ASP89 2.6 0.0 1.0 CG A:ASP80 2.8 0.0 1.0 CG A:ASP89 2.8 0.0 1.0 CG A:ASP78 3.3 0.0 1.0 H A:ASP86 3.4 0.0 1.0 CG A:ASP86 3.5 0.0 1.0 CG A:ASN82 3.5 0.0 1.0 H A:ASN82 3.5 0.0 1.0 H A:ASP80 3.7 0.0 1.0 C A:ILE84 3.8 0.0 1.0 HA A:ASP78 3.9 0.0 1.0 HD22 A:ASN82 3.9 0.0 1.0 H A:ILE84 4.0 0.0 1.0 H A:ASN81 4.0 0.0 1.0 HA A:VAL85 4.0 0.0 1.0 OD2 A:ASP78 4.0 0.0 1.0 ND2 A:ASN82 4.1 0.0 1.0 OD2 A:ASP86 4.1 0.0 1.0 HB A:ILE84 4.2 0.0 1.0 HB2 A:ASP78 4.2 0.0 1.0 CB A:ASP78 4.2 0.0 1.0 N A:ASP86 4.2 0.0 1.0 CB A:ASP80 4.2 0.0 1.0 H A:ILE79 4.3 0.0 1.0 CB A:ASP89 4.3 0.0 1.0 H A:ASP89 4.4 0.0 1.0 N A:ASN82 4.4 0.0 1.0 N A:ASP80 4.5 0.0 1.0 CA A:ASP78 4.5 0.0 1.0 HB3 A:ASN82 4.5 0.0 1.0 CB A:ASP86 4.5 0.0 1.0 HB3 A:ASP86 4.5 0.0 1.0 N A:ASN81 4.5 0.0 1.0 CB A:ASN82 4.5 0.0 1.0 HB3 A:ASP80 4.6 0.0 1.0 HB2 A:ASP89 4.7 0.0 1.0 N A:ILE84 4.7 0.0 1.0 CA A:ASP80 4.7 0.0 1.0 CA A:ILE84 4.7 0.0 1.0 N A:VAL85 4.8 0.0 1.0 CA A:VAL85 4.8 0.0 1.0 HB2 A:ASN88 4.8 0.0 1.0 H A:GLY83 4.8 0.0 1.0 N A:ILE79 4.8 0.0 1.0 N A:ASP89 4.9 0.0 1.0 CA A:ASP86 4.9 0.0 1.0 HB2 A:ASP80 4.9 0.0 1.0 C A:ASP78 4.9 0.0 1.0 HB3 A:ASP89 4.9 0.0 1.0 C A:ASP80 4.9 0.0 1.0 HA A:ASN81 4.9 0.0 1.0 HD21 A:ASN82 5.0 0.0 1.0 C A:VAL85 5.0 0.0 1.0 CB A:ILE84 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Solution uc(Nmr) Structure of Cellulosomal Double-Dockerin Module of CLO1313_0689 From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:0.0 occ:1.00 OD1 A:ASP112 2.3 0.0 1.0 OD1 A:ASP123 2.3 0.0 1.0 OD1 A:ASP120 2.4 0.0 1.0 O A:VAL118 2.4 0.0 1.0 OD1 A:ASP114 2.4 0.0 1.0 OD1 A:ASN116 2.4 0.0 1.0 OD2 A:ASP114 2.4 0.0 1.0 OD2 A:ASP123 2.5 0.0 1.0 CG A:ASP114 2.8 0.0 1.0 CG A:ASP123 2.8 0.0 1.0 H A:ASP120 3.2 0.0 1.0 CG A:ASN116 3.4 0.0 1.0 H A:VAL118 3.5 0.0 1.0 CG A:ASP112 3.6 0.0 1.0 CG A:ASP120 3.6 0.0 1.0 H A:ASN116 3.6 0.0 1.0 H A:ASP114 3.6 0.0 1.0 C A:VAL118 3.6 0.0 1.0 HA A:ILE119 3.7 0.0 1.0 HD22 A:ASN116 3.8 0.0 1.0 HA A:ASP112 3.9 0.0 1.0 HB A:VAL118 4.0 0.0 1.0 ND2 A:ASN116 4.0 0.0 1.0 N A:ASP120 4.1 0.0 1.0 CB A:ASP114 4.2 0.0 1.0 H A:GLY115 4.2 0.0 1.0 CB A:ASP123 4.2 0.0 1.0 H A:ASP123 4.3 0.0 1.0 OD2 A:ASP120 4.3 0.0 1.0 OD2 A:ASP112 4.3 0.0 1.0 N A:VAL118 4.3 0.0 1.0 HD11 A:ILE119 4.3 0.0 1.0 H A:ALA113 4.4 0.0 1.0 HB A:THR122 4.4 0.0 1.0 N A:ASP114 4.4 0.0 1.0 N A:ASN116 4.5 0.0 1.0 CA A:VAL118 4.5 0.0 1.0 CB A:ASN116 4.5 0.0 1.0 H A:ASN117 4.5 0.0 1.0 CB A:ASP112 4.5 0.0 1.0 CA A:ILE119 4.5 0.0 1.0 N A:ILE119 4.6 0.0 1.0 CB A:ASP120 4.6 0.0 1.0 HB3 A:ASN116 4.6 0.0 1.0 CA A:ASP112 4.6 0.0 1.0 HB3 A:ASP114 4.6 0.0 1.0 HB2 A:ASP123 4.7 0.0 1.0 HB3 A:ASP120 4.7 0.0 1.0 CA A:ASP114 4.7 0.0 1.0 HB2 A:ASP112 4.7 0.0 1.0 N A:ASP123 4.8 0.0 1.0 N A:GLY115 4.8 0.0 1.0 CB A:VAL118 4.8 0.0 1.0 HB3 A:ASP123 4.8 0.0 1.0 CA A:ASP120 4.8 0.0 1.0 HB2 A:ASP114 4.8 0.0 1.0 N A:ALA113 4.9 0.0 1.0 C A:ILE119 4.9 0.0 1.0 HD21 A:ASN116 4.9 0.0 1.0 CA A:ASP123 4.9 0.0 1.0 HA A:ASP123 4.9 0.0 1.0 CA A:ASN116 4.9 0.0 1.0 N A:ASN117 5.0 0.0 1.0 C A:ASP112 5.0 0.0 1.0

C.Chen, H.Yang, S.Dong, C.You, S.Morais, E.A.Bayer, Y.J.Liu, J.Xuan, Q.Cui, I.Mizrahi, Y.Feng. A Cellulosomal Double-Dockerin Module From Clostridium Thermocellum Shows Distinct Structural and Cohesin-Binding Features. Protein Sci. V. 33 E4937 2024.
ISSN: ESSN 1469-896X
PubMed: 38501488
DOI: 10.1002/PRO.4937