Calcium in PDB 6f1h: C1RC1S Complex

All present enzymatic activity of C1RC1S Complex:
3.4.21.41; 3.4.21.42;

The structure of C1RC1S Complex, PDB code: 6f1h was solved by J.O.M.Almitairi, U.Venkatraman Girija, C.M.Furze, X.Simpson-Gray, F.Badakshi, J.E.Marshall, D.A.Mitchell, P.C.E.Moody, R.Wallis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.65 / 4.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.209, 88.340, 197.559, 90.00, 90.00, 90.00
R / Rfree (%)	30.4 / 34

The structure of C1RC1S Complex also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the C1RC1S Complex (pdb code 6f1h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the C1RC1S Complex, PDB code: 6f1h:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:0.2 occ:1.00 OD1 A:ASP57 2.4 0.4 1.0 ND2 A:ASN105 2.5 0.0 1.0 OD1 A:ASP102 2.5 0.0 1.0 OD1 A:ASN105 2.7 0.9 1.0 CG A:ASN105 2.8 0.8 1.0 CG2 A:THR101 2.9 0.2 1.0 OD2 A:ASP57 2.9 0.5 1.0 O A:ASP102 3.0 0.1 1.0 CG A:ASP57 3.0 0.4 1.0 OE1 A:GLU49 3.0 1.0 1.0 N A:ASP102 3.1 0.2 1.0 C A:ASP102 3.5 0.2 1.0 O A:SER104 3.6 0.9 1.0 OD1 A:ASN23 3.6 1.0 1.0 CG A:ASP102 3.7 0.0 1.0 C A:THR101 3.7 0.8 1.0 CA A:ASP102 3.8 0.3 1.0 CA A:THR101 3.9 0.5 1.0 CB A:THR101 3.9 0.7 1.0 C A:SER104 3.9 0.1 1.0 CB A:ASN105 4.0 0.2 1.0 CD A:GLU49 4.1 0.9 1.0 N A:ASN105 4.2 0.1 1.0 CA A:ASN105 4.3 0.2 1.0 CB A:ASP102 4.3 0.2 1.0 N A:SER104 4.4 0.8 1.0 OG1 A:THR101 4.4 0.9 1.0 CB A:ASP57 4.5 1.0 1.0 N A:PHE103 4.5 0.9 1.0 CG A:ASN23 4.5 0.6 1.0 O A:THR101 4.6 0.2 1.0 OD2 A:ASP102 4.6 0.7 1.0 O A:TYR56 4.7 0.1 1.0 OE2 A:GLU49 4.8 0.2 1.0 CA A:SER104 4.8 0.8 1.0 C A:PHE103 4.8 0.6 1.0 CB A:GLU49 4.9 0.6 1.0 CE1 A:TYR21 4.9 0.6 1.0 C A:TYR56 5.0 0.4 1.0

Calcium binding site 2 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:0.1 occ:1.00 O A:TYR151 2.4 0.2 1.0 OD1 A:ASN150 2.5 0.7 1.0 OE1 A:GLU128 2.5 0.0 1.0 OD1 A:ASP125 2.6 0.4 1.0 O A:LEU126 2.6 0.8 1.0 OD2 A:ASP125 2.6 0.1 1.0 OE2 A:GLU128 2.7 0.8 1.0 CG A:ASP125 2.9 0.9 1.0 CD A:GLU128 3.0 0.7 1.0 O A:GLY154 3.2 0.3 1.0 C A:TYR151 3.5 0.6 1.0 CG A:ASN150 3.7 0.8 1.0 N A:TYR151 3.7 0.1 1.0 C A:LEU126 3.8 1.0 1.0 C A:GLY154 4.2 0.1 1.0 CA A:TYR151 4.3 0.7 1.0 N A:LEU126 4.3 0.7 1.0 O A:GLY153 4.4 0.8 1.0 CA A:ASN150 4.4 0.4 1.0 N A:GLY153 4.4 0.0 1.0 C A:ASN150 4.4 0.1 1.0 C A:GLY153 4.4 0.1 1.0 CB A:ASP125 4.4 0.5 1.0 CG A:GLU128 4.5 0.6 1.0 N A:VAL152 4.5 0.5 1.0 N A:GLU128 4.5 0.7 1.0 CB A:ASN150 4.6 0.6 1.0 N A:GLY154 4.6 0.4 1.0 ND2 A:ASN150 4.6 0.2 1.0 C A:VAL152 4.6 0.2 1.0 N A:ASP127 4.7 0.4 1.0 CA A:VAL152 4.7 1.0 1.0 CA A:ASP127 4.7 0.1 1.0 CA A:LEU126 4.7 0.6 1.0 CA A:GLY154 4.9 0.6 1.0 C A:ASP125 4.9 0.6 1.0 CA A:GLY153 5.0 0.9 1.0

Calcium binding site 3 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:0.8 occ:1.00 O A:SER275 2.3 0.9 1.0 OD2 A:ASP236 2.3 0.6 1.0 OD1 A:ASP273 2.4 0.7 1.0 CE1 A:TYR197 2.8 0.0 1.0 OH A:TYR197 3.0 0.7 1.0 OD2 A:ASP226 3.0 0.4 1.0 CG A:ASP236 3.1 0.4 1.0 OD1 A:ASP236 3.2 0.2 1.0 CG A:ASP273 3.2 0.4 1.0 CZ A:TYR197 3.2 0.9 1.0 OD2 A:ASP273 3.4 0.2 1.0 C A:SER275 3.5 0.3 1.0 CD1 A:TYR197 3.9 0.8 1.0 CA A:GLY276 3.9 0.4 1.0 CG A:ASP226 4.0 0.8 1.0 N A:GLY276 4.2 0.2 1.0 CB A:ASP226 4.3 0.5 1.0 OG A:SER275 4.5 0.9 1.0 N A:ASP277 4.5 0.7 1.0 CE2 A:TYR197 4.5 0.6 1.0 CB A:ASP236 4.6 0.6 1.0 CB A:ASP273 4.6 0.2 1.0 N A:ASP273 4.6 0.3 1.0 CA A:SER275 4.7 0.1 1.0 N A:SER275 4.7 0.9 1.0 C A:GLY276 4.8 1.0 1.0

Calcium binding site 4 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:0.1 occ:1.00 OD1 C:ASN105 2.3 0.5 1.0 OD1 C:ASP57 2.3 0.5 1.0 OD1 C:ASP102 2.4 0.8 1.0 OD2 C:ASP57 2.7 0.9 1.0 CG2 C:THR101 2.7 0.6 1.0 N C:ASP102 2.8 0.9 1.0 CG C:ASP57 2.9 0.9 1.0 O C:ASP102 2.9 0.3 1.0 OE1 C:GLU49 3.2 0.7 1.0 C C:ASP102 3.4 0.5 1.0 CG C:ASN105 3.4 0.4 1.0 C C:THR101 3.4 1.0 1.0 CG C:ASP102 3.5 0.1 1.0 CA C:ASP102 3.5 0.7 1.0 O C:SER104 3.6 0.4 1.0 CA C:THR101 3.6 0.9 1.0 CB C:THR101 3.7 0.6 1.0 OD1 C:ASN23 4.0 0.3 1.0 ND2 C:ASN105 4.0 0.2 1.0 C C:SER104 4.1 0.7 1.0 CB C:ASP102 4.1 0.4 1.0 OG1 C:THR101 4.2 0.3 1.0 O C:THR101 4.3 0.1 1.0 CB C:ASP57 4.4 0.3 1.0 N C:SER104 4.4 0.7 1.0 CD C:GLU49 4.4 0.8 1.0 N C:PHE103 4.4 0.1 1.0 N C:ASN105 4.5 0.9 1.0 OD2 C:ASP102 4.5 0.8 1.0 CB C:ASN105 4.6 0.0 1.0 O C:TYR56 4.6 0.6 1.0 CG C:ASN23 4.6 0.4 1.0 CE1 C:TYR21 4.6 0.2 1.0 CA C:ASN105 4.7 0.0 1.0 C C:TYR56 4.8 0.6 1.0 C C:PHE103 4.9 0.4 1.0 CA C:SER104 4.9 0.8 1.0 CA C:ASN23 5.0 0.3 1.0

Calcium binding site 5 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca303 b:0.8 occ:1.00 OE2 C:GLU128 2.5 0.3 1.0 O C:TYR151 2.6 0.8 1.0 OD1 C:ASP125 2.7 0.7 1.0 O C:GLY154 2.7 0.6 1.0 OE1 C:GLU128 2.7 0.4 1.0 CD C:GLU128 3.0 0.0 1.0 O C:LEU126 3.1 0.9 1.0 OD2 C:ASP125 3.3 0.2 1.0 OD1 C:ASN150 3.3 0.6 1.0 CG C:ASP125 3.4 0.3 1.0 O C:GLY153 3.5 0.2 1.0 C C:GLY154 3.5 0.0 1.0 C C:GLY153 3.6 0.2 1.0 N C:GLY154 3.8 0.2 1.0 C C:TYR151 3.8 0.3 1.0 CA C:GLY154 4.0 0.6 1.0 N C:GLY153 4.0 0.8 1.0 N C:TYR151 4.2 0.7 1.0 C C:LEU126 4.3 0.1 1.0 CA C:GLY153 4.4 0.9 1.0 C C:VAL152 4.4 0.2 1.0 CG C:GLU128 4.5 0.8 1.0 CG C:ASN150 4.5 1.0 1.0 N C:TYR155 4.5 0.0 1.0 CA C:TYR151 4.7 0.1 1.0 N C:LEU126 4.7 0.1 1.0 N C:VAL152 4.7 0.8 1.0 CA C:VAL152 4.7 0.9 1.0 CB C:TYR155 4.8 0.2 1.0 CB C:ASP125 4.8 0.3 1.0 O C:VAL152 5.0 1.0 1.0 CA C:ASN150 5.0 0.4 1.0 N C:GLU128 5.0 0.6 1.0 C C:ASN150 5.0 1.0 1.0 CA C:TYR155 5.0 0.2 1.0

Calcium binding site 6 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca304 b:0.2 occ:1.00 O C:SER275 2.5 0.7 1.0 OD2 C:ASP236 2.5 0.7 1.0 OD1 C:ASP273 2.5 0.6 1.0 CE1 C:TYR197 2.7 0.0 1.0 OD2 C:ASP226 3.0 0.4 1.0 OH C:TYR197 3.0 0.0 1.0 CZ C:TYR197 3.3 0.6 1.0 CG C:ASP273 3.4 0.8 1.0 CG C:ASP236 3.4 0.6 1.0 OD2 C:ASP273 3.5 0.2 1.0 OD1 C:ASP236 3.6 0.7 1.0 C C:SER275 3.6 0.5 1.0 CD1 C:TYR197 3.9 0.9 1.0 CA C:GLY276 3.9 0.8 1.0 CG C:ASP226 4.1 0.2 1.0 N C:GLY276 4.2 0.2 1.0 N C:ASP277 4.4 0.8 1.0 CB C:ASP226 4.5 0.7 1.0 CE2 C:TYR197 4.6 0.4 1.0 CB C:ASP273 4.7 0.3 1.0 C C:GLY276 4.8 0.5 1.0 CB C:ASP236 4.8 0.4 1.0 OG C:SER275 4.8 0.7 1.0 N C:ASP273 4.8 0.1 1.0 CA C:SER275 4.8 0.1 1.0 N C:SER275 4.9 0.9 1.0

Calcium binding site 7 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca301 b:0.7 occ:1.00 O D:SER100 2.4 0.8 1.0 OD1 D:ASP98 2.5 0.2 1.0 OD1 D:ASN101 2.5 0.3 1.0 OD2 D:ASP53 2.6 0.6 1.0 OD1 D:ASP53 2.7 0.2 1.0 O D:ASP98 2.9 0.6 1.0 CG D:ASP53 3.0 0.1 1.0 OE1 D:GLU45 3.2 0.7 1.0 C D:SER100 3.3 0.7 1.0 N D:ASP98 3.4 0.8 1.0 CG D:ASN101 3.5 0.3 1.0 C D:ASP98 3.5 0.0 1.0 CG D:ASP98 3.7 0.1 1.0 N D:SER100 3.7 0.3 1.0 CA D:ASP98 3.9 0.5 1.0 CB D:SER97 3.9 0.2 1.0 C D:SER97 4.0 0.5 1.0 ND2 D:ASN101 4.1 0.0 1.0 CA D:SER100 4.1 0.6 1.0 N D:ASN101 4.2 0.7 1.0 OG D:SER19 4.2 0.8 1.0 CA D:SER97 4.3 0.3 1.0 CE1 D:TYR17 4.3 0.6 1.0 N D:PHE99 4.4 0.6 1.0 CD D:GLU45 4.4 0.2 1.0 OG D:SER97 4.4 0.7 1.0 CB D:ASP98 4.4 0.7 1.0 CA D:ASN101 4.5 0.8 1.0 CB D:ASP53 4.5 0.2 1.0 CB D:ASN101 4.6 0.1 1.0 C D:PHE99 4.6 0.7 1.0 OD2 D:ASP98 4.6 0.0 1.0 OH D:TYR17 4.7 0.4 1.0 CB D:SER19 4.7 0.5 1.0 O D:SER97 4.8 0.8 1.0 CA D:SER19 4.9 0.1 1.0 CA D:PHE99 5.0 0.9 1.0

Calcium binding site 8 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca303 b:0.7 occ:1.00 O D:ILE117 2.4 0.9 1.0 O D:PHE135 2.4 0.4 1.0 OD1 D:ASN134 2.4 0.4 1.0 OD1 D:ASP116 2.6 0.8 1.0 OE1 D:GLU119 2.6 0.0 1.0 O D:GLY138 2.6 0.4 1.0 OE2 D:GLU119 2.9 0.5 1.0 CD D:GLU119 3.1 0.5 1.0 N D:GLY138 3.3 0.9 1.0 CG D:ASP116 3.3 0.2 1.0 OD2 D:ASP116 3.3 0.8 1.0 C D:GLY138 3.4 0.5 1.0 C D:PHE135 3.6 1.0 1.0 C D:ILE117 3.6 0.8 1.0 CG D:ASN134 3.6 0.6 1.0 CA D:GLY138 3.7 0.7 1.0 N D:GLY137 3.8 0.3 1.0 N D:PHE135 4.0 0.6 1.0 C D:GLY137 4.1 0.9 1.0 N D:ILE117 4.3 0.5 1.0 ND2 D:ASN134 4.4 1.0 1.0 CA D:PHE135 4.4 0.9 1.0 CA D:GLY137 4.5 0.3 1.0 CA D:ILE117 4.5 0.2 1.0 N D:ILE136 4.5 0.6 1.0 N D:ASN118 4.5 0.7 1.0 CA D:ILE136 4.5 0.5 1.0 C D:ILE136 4.6 0.9 1.0 CG D:GLU119 4.6 0.8 1.0 N D:GLU119 4.6 1.0 1.0 CA D:ASN118 4.6 0.7 1.0 N D:TYR139 4.6 0.8 1.0 O D:GLY32 4.7 0.0 1.0 CB D:ASN134 4.8 0.4 1.0 CB D:ASP116 4.8 0.7 1.0 C D:ASN134 4.9 0.8 1.0 CB D:ILE117 4.9 0.8 1.0 CA D:ASN134 4.9 0.7 1.0

Calcium binding site 9 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca304 b:0.8 occ:1.00 NZ D:LYS265 3.3 0.8 1.0 CE D:LYS265 4.2 0.2 1.0

Calcium binding site 10 out of 12 in the C1RC1S Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of C1RC1S Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:0.6 occ:1.00 O B:ASP98 2.5 0.2 1.0 OD1 B:ASN101 2.6 0.5 1.0 OG B:SER19 2.9 0.4 1.0 O B:SER100 3.0 0.7 1.0 CG B:ASN101 3.1 0.8 1.0 OD1 B:ASP98 3.3 0.8 1.0 ND2 B:ASN101 3.3 0.8 1.0 C B:SER100 3.4 0.6 1.0 C B:ASP98 3.4 0.7 1.0 CB B:SER19 3.5 0.6 1.0 N B:SER100 3.5 0.3 1.0 OD2 B:ASP53 3.6 0.2 1.0 CA B:SER19 3.7 0.5 1.0 N B:ASP98 3.9 0.9 1.0 CE1 B:TYR17 4.0 0.9 1.0 CA B:SER100 4.0 0.3 1.0 OG B:SER97 4.0 0.5 1.0 CB B:SER97 4.0 0.5 1.0 OD1 B:ASP53 4.1 0.1 1.0 C B:PHE99 4.1 0.6 1.0 N B:ASN101 4.1 0.8 1.0 OE1 B:GLU45 4.2 0.6 1.0 CG B:ASP53 4.3 0.7 1.0 CA B:ASP98 4.3 0.4 1.0 N B:PHE99 4.3 0.9 1.0 C B:SER97 4.3 0.8 1.0 CB B:ASN101 4.3 0.4 1.0 CG B:ASP98 4.4 0.8 1.0 CA B:PHE99 4.5 0.2 1.0 CA B:ASN101 4.5 0.9 1.0 N B:SER19 4.6 0.1 1.0 CD1 B:TYR17 4.7 0.5 1.0 N B:GLU20 4.7 0.6 1.0 CA B:SER97 4.7 0.7 1.0 O B:PHE99 4.8 0.8 1.0 O B:SER97 4.8 0.3 1.0 C B:SER19 4.8 0.9 1.0 O B:PRO18 4.8 0.8 1.0 OH B:TYR17 4.8 0.5 1.0 CZ B:TYR17 4.9 0.6 1.0 CB B:ASP98 5.0 0.2 1.0

J.O.M.Almitairi, U.Venkatraman Girija, C.M.Furze, X.Simpson-Gray, F.Badakshi, J.E.Marshall, W.J.Schwaeble, D.A.Mitchell, P.C.E.Moody, R.Wallis. Structure of the C1R-C1S Interaction of the C1 Complex of Complement Activation. Proc. Natl. Acad. Sci. V. 115 768 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29311313
DOI: 10.1073/PNAS.1718709115