Calcium in PDB 4cfq: Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia

The structure of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia, PDB code: 4cfq was solved by A.Duelli, B.Kiss, I.Lundholm, A.Bodor, L.Radnai, M.Petoukhov, D.Svergun, L.Nyitray, G.Katona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.772 / 1.37
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.720, 38.790, 71.430, 88.65, 75.54, 72.17
R / Rfree (%)	16.11 / 19.28

The binding sites of Calcium atom in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia (pdb code 4cfq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia, PDB code: 4cfq:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:24.0 occ:1.00 O A:LYS28 2.3 20.7 1.0 O A:GLU23 2.4 28.3 1.0 O A:SER20 2.4 23.2 1.0 O A:HOH2033 2.4 27.1 1.0 OE1 A:GLU33 2.4 23.8 1.0 O A:ASP25 2.4 26.6 1.0 OE2 A:GLU33 2.6 24.1 1.0 CD A:GLU33 2.8 23.2 1.0 C A:SER20 3.5 22.2 1.0 C A:LYS28 3.6 17.2 1.0 C A:ASP25 3.6 27.6 1.0 HA A:SER20 3.6 23.4 1.0 H A:GLU23 3.6 41.8 1.0 C A:GLU23 3.6 30.4 1.0 H A:LYS28 3.7 21.3 1.0 HA A:LEU29 3.8 17.2 1.0 H A:ASN30 3.8 20.4 1.0 HA A:LYS26 3.9 32.6 1.0 CA A:SER20 4.0 19.5 1.0 HB2 A:SER20 4.0 25.4 1.0 N A:ASP25 4.2 28.1 1.0 C A:GLY24 4.3 28.8 1.0 N A:GLU23 4.3 34.8 1.0 H A:ASP25 4.3 33.7 1.0 HB3 A:ASP25 4.3 33.3 1.0 CG A:GLU33 4.4 20.7 1.0 HA3 A:GLY24 4.4 35.9 1.0 N A:LYS28 4.4 17.7 1.0 H A:LYS22 4.4 36.6 1.0 CA A:ASP25 4.4 26.8 1.0 N A:LEU29 4.4 14.2 1.0 CA A:LEU29 4.4 14.3 1.0 N A:ASN30 4.5 17.0 1.0 HG3 A:GLU23 4.5 48.9 1.0 HA2 A:GLY21 4.5 34.4 1.0 N A:LYS26 4.5 28.1 1.0 OE1 A:GLU69 4.5 25.1 1.0 CA A:LYS26 4.5 27.2 1.0 CA A:GLU23 4.5 34.5 1.0 N A:GLY21 4.5 25.2 1.0 N A:GLY24 4.5 30.8 1.0 CA A:LYS28 4.6 16.5 1.0 CB A:SER20 4.6 21.2 1.0 HB2 A:LYS28 4.6 20.6 1.0 CA A:GLY24 4.6 29.9 1.0 O A:GLY24 4.7 30.0 1.0 HG3 A:GLU33 4.8 24.9 1.0 HG2 A:GLU23 4.8 48.9 1.0 HG2 A:GLU33 4.8 24.9 1.0 N A:LYS22 4.8 30.5 1.0 C A:LYS26 4.8 26.2 1.0 HB2 A:GLU33 4.8 24.4 1.0 C A:LEU29 4.8 15.3 1.0 HB3 A:ASN30 4.9 25.8 1.0 CA A:GLY21 4.9 28.6 1.0 CB A:ASP25 4.9 27.8 1.0

Calcium binding site 2 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:9.4 occ:1.00 OD1 A:ASN65 2.3 10.9 1.0 O A:GLU69 2.3 12.2 1.0 OD1 A:ASP63 2.3 9.7 1.0 O A:HOH2070 2.4 11.8 1.0 OD1 A:ASP67 2.4 11.0 1.0 OE1 A:GLU74 2.4 10.0 1.0 OE2 A:GLU74 2.6 10.0 1.0 CD A:GLU74 2.8 8.5 1.0 CG A:ASP67 3.3 12.8 1.0 HA A:ASP63 3.3 11.8 1.0 CG A:ASN65 3.3 12.1 1.0 H A:ASP67 3.4 12.5 1.0 H A:GLU69 3.4 14.9 1.0 C A:GLU69 3.5 11.1 1.0 CG A:ASP63 3.5 11.9 1.0 HA A:VAL70 3.6 13.2 1.0 H A:ASN65 3.6 8.8 1.0 OD2 A:ASP67 3.7 13.7 1.0 H A:ASP71 3.7 11.4 1.0 HD22 A:ASN65 3.9 17.3 1.0 ND2 A:ASN65 4.0 14.4 1.0 CA A:ASP63 4.1 9.9 1.0 H A:ARG66 4.1 9.5 1.0 N A:GLU69 4.2 12.4 1.0 N A:ASP67 4.2 10.4 1.0 CB A:ASP63 4.2 11.7 1.0 N A:VAL70 4.3 10.6 1.0 HB2 A:GLU69 4.3 21.1 1.0 N A:ASN65 4.3 7.3 1.0 HB2 A:ASP63 4.3 14.0 1.0 CA A:VAL70 4.3 11.0 1.0 CG A:GLU74 4.4 8.1 1.0 CA A:GLU69 4.4 13.9 1.0 OD2 A:ASP71 4.4 15.8 1.0 CB A:ASN65 4.4 9.2 1.0 N A:ASP71 4.4 9.5 1.0 OD2 A:ASP63 4.4 12.1 1.0 C A:ASP63 4.4 9.1 1.0 CB A:ASP67 4.4 11.9 1.0 HB3 A:ASN65 4.5 11.1 1.0 H A:ASN68 4.5 15.7 1.0 N A:ARG66 4.5 7.9 1.0 CA A:ASN65 4.7 8.1 1.0 CA A:ASP67 4.7 10.5 1.0 HB3 A:ASP67 4.7 14.3 1.0 HG3 A:GLU74 4.7 9.7 1.0 N A:ASN68 4.7 13.1 1.0 C A:ASN65 4.7 8.3 1.0 CG A:ASP71 4.7 12.6 1.0 H A:SER64 4.8 8.6 1.0 HB3 A:ASP71 4.8 14.3 1.0 N A:SER64 4.8 7.2 1.0 HG2 A:GLU74 4.8 9.7 1.0 HD3 A:LYS28 4.8 24.9 1.0 HD21 A:ASN65 4.8 17.3 1.0 C A:VAL70 4.8 12.0 1.0 C A:ASP67 4.9 12.4 1.0 HB2 A:GLU74 4.9 9.1 1.0 CB A:GLU69 4.9 17.6 1.0 O A:ASP63 4.9 10.3 1.0

Calcium binding site 3 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:5.5 occ:1.00 O B:GLU23 2.3 6.8 1.0 O B:SER20 2.3 6.5 1.0 O B:HOH2027 2.3 8.0 1.0 O B:ASP25 2.4 6.0 1.0 OE1 B:GLU33 2.4 6.5 1.0 O B:LYS28 2.4 5.8 1.0 OE2 B:GLU33 2.6 7.2 1.0 CD B:GLU33 2.9 5.5 1.0 H B:GLU23 3.3 10.5 1.0 C B:SER20 3.4 6.1 1.0 HA B:SER20 3.4 7.5 1.0 C B:ASP25 3.5 5.8 1.0 C B:GLU23 3.6 8.8 1.0 C B:LYS28 3.7 5.0 1.0 HA B:LEU29 3.8 6.2 1.0 H B:ASN30 3.8 7.0 1.0 H B:LYS28 3.8 6.2 1.0 HA B:LYS26 3.9 7.3 1.0 CA B:SER20 3.9 6.2 1.0 HB2 B:SER20 4.0 7.4 1.0 N B:ASP25 4.1 5.6 1.0 N B:GLU23 4.1 8.8 1.0 HB3 B:ASP25 4.2 6.5 1.0 HB2 B:GLU23 4.2 19.4 1.0 C B:GLY24 4.2 5.3 1.0 H B:ASP25 4.2 6.7 1.0 HA3 B:GLY24 4.3 8.6 1.0 CA B:ASP25 4.3 5.1 1.0 H B:LYS22 4.4 10.0 1.0 CA B:GLU23 4.4 11.2 1.0 CG B:GLU33 4.4 6.2 1.0 N B:ASN30 4.4 5.8 1.0 N B:LYS26 4.4 5.0 1.0 CA B:LEU29 4.5 5.1 1.0 N B:LYS28 4.5 5.2 1.0 N B:LEU29 4.5 4.7 1.0 CA B:LYS26 4.5 6.1 1.0 N B:GLY24 4.5 9.2 1.0 CB B:SER20 4.5 6.2 1.0 N B:GLY21 4.5 6.3 1.0 HA2 B:GLY21 4.6 8.6 1.0 CA B:GLY24 4.6 7.1 1.0 O B:GLY24 4.6 8.2 1.0 OE2 B:GLU69 4.6 9.1 1.0 CA B:LYS28 4.6 4.8 1.0 O B:TYR19 4.7 6.6 1.0 HB3 B:ASN30 4.7 8.5 1.0 HB2 B:LYS28 4.7 8.4 1.0 N B:LYS22 4.7 8.3 1.0 C B:LYS26 4.7 5.1 1.0 HD21 B:ASN30 4.8 12.5 1.0 HG3 B:GLU33 4.8 7.4 1.0 HG2 B:GLU33 4.8 7.4 1.0 CB B:ASP25 4.8 5.4 1.0 ND2 B:ASN30 4.8 10.4 1.0 C B:LEU29 4.8 5.4 1.0 HB2 B:GLU33 4.8 8.6 1.0 CB B:GLU23 4.9 16.2 1.0 HD3 B:LYS26 4.9 10.4 1.0 CA B:GLY21 4.9 7.2 1.0 HD22 B:ASN30 5.0 12.5 1.0

Calcium binding site 4 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:5.2 occ:1.00 OD1 B:ASN65 2.3 6.5 1.0 OD1 B:ASP63 2.3 5.9 1.0 O B:HOH2058 2.3 7.4 1.0 O B:GLU69 2.3 5.1 1.0 OD1 B:ASP67 2.4 5.8 1.0 OE1 B:GLU74 2.4 6.2 1.0 OE2 B:GLU74 2.5 6.7 1.0 CD B:GLU74 2.8 5.2 1.0 CG B:ASP67 3.2 6.5 1.0 HA B:ASP63 3.3 8.7 1.0 H B:ASP67 3.4 7.0 1.0 H B:GLU69 3.4 5.9 1.0 CG B:ASN65 3.4 7.8 1.0 CG B:ASP63 3.4 6.8 1.0 C B:GLU69 3.4 4.5 1.0 H B:ASN65 3.5 8.5 1.0 OD2 B:ASP67 3.6 7.8 1.0 HA B:VAL70 3.6 6.5 1.0 H B:ASP71 3.8 5.5 1.0 HB2 B:GLU69 3.8 7.3 1.0 HD22 B:ASN65 3.8 12.7 1.0 CA B:ASP63 4.0 7.2 1.0 ND2 B:ASN65 4.0 10.5 1.0 N B:GLU69 4.1 4.9 1.0 CB B:ASP63 4.2 6.5 1.0 N B:ASP67 4.2 5.8 1.0 CA B:GLU69 4.3 4.8 1.0 H B:ARG66 4.3 8.4 1.0 N B:ASN65 4.3 7.1 1.0 N B:VAL70 4.3 4.7 1.0 C B:ASP63 4.3 7.5 1.0 HB2 B:ASP63 4.3 7.8 1.0 OD2 B:ASP63 4.3 6.1 1.0 CA B:VAL70 4.4 5.4 1.0 CG B:GLU74 4.4 4.7 1.0 CB B:ASP67 4.5 6.2 1.0 N B:ASP71 4.5 4.5 1.0 OD2 B:ASP71 4.5 10.0 1.0 CB B:GLU69 4.5 6.1 1.0 N B:ARG66 4.5 7.0 1.0 CB B:ASN65 4.5 8.8 1.0 H B:SER64 4.6 8.9 1.0 N B:SER64 4.6 7.4 1.0 H B:ASN68 4.6 6.1 1.0 CA B:ASN65 4.7 7.8 1.0 HG3 B:GLU74 4.7 5.6 1.0 C B:ASN65 4.7 7.4 1.0 CA B:ASP67 4.7 5.4 1.0 HB3 B:ASP67 4.7 7.5 1.0 HB3 B:ASN65 4.8 10.6 1.0 HG2 B:GLU74 4.8 5.6 1.0 HB3 B:ASP71 4.8 8.2 1.0 O B:ASP63 4.8 8.0 1.0 CG B:ASP71 4.8 9.0 1.0 N B:ASN68 4.8 5.1 1.0 HD21 B:ASN65 4.9 12.7 1.0 C B:VAL70 4.9 4.7 1.0 HB2 B:GLU74 4.9 6.6 1.0 HB3 B:GLU69 4.9 7.3 1.0 C B:ASP67 5.0 4.8 1.0

Calcium binding site 5 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca501 b:26.9 occ:1.00 O C:GLU23 2.3 30.1 1.0 O C:LYS28 2.4 23.3 1.0 O C:SER20 2.4 26.6 1.0 O C:ASP25 2.4 28.6 1.0 OE1 C:GLU33 2.4 27.2 1.0 O C:HOH2021 2.4 28.6 1.0 OE2 C:GLU33 2.6 27.1 1.0 CD C:GLU33 2.9 26.3 1.0 H C:GLU23 3.4 42.6 1.0 C C:SER20 3.4 24.0 1.0 HA C:SER20 3.5 26.2 1.0 C C:GLU23 3.5 32.8 1.0 C C:ASP25 3.5 29.2 1.0 C C:LYS28 3.6 20.2 1.0 H C:LYS28 3.7 24.3 1.0 HA C:LYS26 3.8 34.5 1.0 HA C:LEU29 3.8 20.8 1.0 H C:ASN30 3.9 24.0 1.0 CA C:SER20 4.0 21.9 1.0 N C:GLU23 4.1 35.5 1.0 HB2 C:SER20 4.1 26.5 1.0 HB2 C:GLU23 4.1 46.1 1.0 N C:ASP25 4.2 31.5 1.0 HB3 C:ASP25 4.3 36.4 1.0 H C:ASP25 4.3 37.8 1.0 CA C:GLU23 4.3 35.7 1.0 C C:GLY24 4.3 32.7 1.0 N C:LYS28 4.4 20.2 1.0 HA3 C:GLY24 4.4 38.9 1.0 CG C:GLU33 4.4 25.8 1.0 CA C:LYS26 4.4 28.7 1.0 N C:LYS26 4.4 29.8 1.0 H C:LYS22 4.4 36.9 1.0 CA C:ASP25 4.4 29.6 1.0 N C:LEU29 4.5 16.8 1.0 N C:GLY24 4.5 32.8 1.0 CA C:LEU29 4.5 17.3 1.0 CA C:LYS28 4.5 19.0 1.0 N C:GLY21 4.5 26.3 1.0 N C:ASN30 4.5 20.0 1.0 OE1 C:GLU69 4.6 24.3 1.0 HB2 C:LYS28 4.6 25.2 1.0 CB C:SER20 4.6 22.1 1.0 HA2 C:GLY21 4.6 34.6 1.0 CA C:GLY24 4.6 32.4 1.0 HD3 C:LYS26 4.6 45.5 1.0 C C:LYS26 4.7 27.1 1.0 CB C:GLU23 4.7 38.4 1.0 O C:GLY24 4.7 34.2 1.0 HG3 C:GLU33 4.8 30.9 1.0 N C:LYS22 4.8 30.8 1.0 O C:TYR19 4.8 25.9 1.0 HG2 C:GLU33 4.8 30.9 1.0 HB2 C:GLU33 4.9 29.9 1.0 HD21 C:ASN30 4.9 33.7 1.0 C C:LEU29 4.9 18.6 1.0 CB C:ASP25 4.9 30.4 1.0 HB3 C:ASN30 4.9 27.6 1.0 ND2 C:ASN30 4.9 28.1 1.0 CA C:GLY21 5.0 28.8 1.0 H C:PHE27 5.0 32.1 1.0 N C:PHE27 5.0 26.7 1.0

Calcium binding site 6 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:9.6 occ:1.00 OD1 C:ASN65 2.3 11.2 1.0 O C:GLU69 2.3 12.1 1.0 OD1 C:ASP63 2.3 10.3 1.0 O C:HOH2054 2.4 12.1 1.0 OD1 C:ASP67 2.4 10.7 1.0 OE1 C:GLU74 2.4 10.8 1.0 OE2 C:GLU74 2.6 10.6 1.0 CD C:GLU74 2.8 8.0 1.0 CG C:ASP67 3.3 12.4 1.0 CG C:ASN65 3.3 12.0 1.0 HA C:ASP63 3.3 11.0 1.0 H C:ASP67 3.4 11.9 1.0 H C:GLU69 3.4 15.8 1.0 C C:GLU69 3.4 11.4 1.0 CG C:ASP63 3.5 12.0 1.0 HA C:VAL70 3.6 14.2 1.0 H C:ASN65 3.6 9.2 1.0 OD2 C:ASP67 3.6 14.6 1.0 H C:ASP71 3.8 13.9 1.0 HD22 C:ASN65 3.8 17.3 1.0 ND2 C:ASN65 4.0 14.4 1.0 CA C:ASP63 4.1 9.2 1.0 H C:ARG66 4.1 10.3 1.0 N C:GLU69 4.1 13.2 1.0 CB C:ASP63 4.2 11.4 1.0 N C:ASP67 4.2 9.9 1.0 HB2 C:ASP63 4.2 13.7 1.0 HB2 C:GLU69 4.2 21.4 1.0 N C:VAL70 4.3 11.7 1.0 N C:ASN65 4.3 7.7 1.0 CA C:VAL70 4.3 11.8 1.0 CG C:GLU74 4.3 8.0 1.0 CA C:GLU69 4.3 14.3 1.0 OD2 C:ASP71 4.4 16.2 1.0 CB C:ASN65 4.4 10.1 1.0 OD2 C:ASP63 4.4 12.3 1.0 N C:ASP71 4.4 11.6 1.0 H C:ASN68 4.4 15.9 1.0 C C:ASP63 4.4 9.0 1.0 CB C:ASP67 4.4 11.2 1.0 HB3 C:ASN65 4.5 12.1 1.0 N C:ARG66 4.5 8.6 1.0 CA C:ASN65 4.7 8.6 1.0 CA C:ASP67 4.7 10.9 1.0 HB3 C:ASP67 4.7 13.4 1.0 N C:ASN68 4.7 13.2 1.0 H C:SER64 4.7 11.5 1.0 HG3 C:GLU74 4.7 9.6 1.0 C C:ASN65 4.7 8.3 1.0 CG C:ASP71 4.8 14.1 1.0 N C:SER64 4.8 9.6 1.0 HD3 C:LYS28 4.8 27.5 1.0 HG2 C:GLU74 4.8 9.6 1.0 HB3 C:ASP71 4.8 14.6 1.0 HD21 C:ASN65 4.8 17.3 1.0 C C:ASP67 4.8 12.9 1.0 HB2 C:GLU74 4.8 10.2 1.0 CB C:GLU69 4.9 17.9 1.0 C C:VAL70 4.9 12.6 1.0 O C:ASP63 4.9 9.6 1.0

Calcium binding site 7 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca501 b:5.7 occ:1.00 O D:HOH2023 2.3 7.5 1.0 O D:SER20 2.4 6.0 1.0 O D:GLU23 2.4 7.1 1.0 OE1 D:GLU33 2.4 6.4 1.0 O D:ASP25 2.4 5.7 1.0 O D:LYS28 2.4 5.8 1.0 OE2 D:GLU33 2.6 7.4 1.0 CD D:GLU33 2.8 5.9 1.0 H D:GLU23 3.3 11.6 1.0 HA D:SER20 3.4 7.1 1.0 C D:SER20 3.4 4.9 1.0 C D:ASP25 3.5 5.6 1.0 C D:GLU23 3.6 9.3 1.0 C D:LYS28 3.6 5.2 1.0 H D:ASN30 3.8 7.2 1.0 HA D:LEU29 3.8 6.1 1.0 H D:LYS28 3.8 6.2 1.0 CA D:SER20 3.9 5.9 1.0 HA D:LYS26 3.9 6.1 1.0 HB2 D:SER20 4.0 7.1 1.0 N D:ASP25 4.1 6.2 1.0 N D:GLU23 4.1 9.7 1.0 HB3 D:ASP25 4.2 8.0 1.0 C D:GLY24 4.2 7.0 1.0 H D:ASP25 4.2 7.5 1.0 HB2 D:GLU23 4.2 20.6 1.0 HA3 D:GLY24 4.3 9.5 1.0 CA D:ASP25 4.3 5.1 1.0 H D:LYS22 4.4 9.2 1.0 CG D:GLU33 4.4 6.5 1.0 CA D:GLU23 4.4 12.4 1.0 N D:ASN30 4.4 6.0 1.0 CA D:LEU29 4.4 5.1 1.0 N D:LYS26 4.5 5.0 1.0 N D:LEU29 4.5 4.6 1.0 N D:LYS28 4.5 5.2 1.0 N D:GLY24 4.5 8.8 1.0 CB D:SER20 4.5 5.9 1.0 CA D:LYS26 4.5 5.1 1.0 N D:GLY21 4.6 6.1 1.0 O D:GLY24 4.6 8.1 1.0 CA D:GLY24 4.6 8.0 1.0 HA2 D:GLY21 4.6 9.4 1.0 OE2 D:GLU69 4.7 9.4 1.0 CA D:LYS28 4.7 4.5 1.0 O D:TYR19 4.7 7.2 1.0 HD21 D:ASN30 4.7 11.8 1.0 HB2 D:LYS28 4.7 7.3 1.0 N D:LYS22 4.7 7.7 1.0 HG3 D:GLU33 4.8 7.9 1.0 HB3 D:ASN30 4.8 9.6 1.0 C D:LYS26 4.8 4.7 1.0 ND2 D:ASN30 4.8 9.9 1.0 CB D:ASP25 4.8 6.7 1.0 C D:LEU29 4.8 6.3 1.0 HG2 D:GLU33 4.8 7.9 1.0 CB D:GLU23 4.9 17.2 1.0 HB2 D:GLU33 4.9 7.6 1.0 HD22 D:ASN30 4.9 11.8 1.0 CA D:GLY21 5.0 7.8 1.0 HD3 D:LYS26 5.0 10.2 1.0

Calcium binding site 8 out of 8 in the Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Ca-Bound Truncated (DELTA13C) and C3S, C81S and C86S Mutated S100A4 Complexed with Non-Muscle Myosin Iia within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca502 b:5.3 occ:1.00 OD1 D:ASN65 2.3 7.2 1.0 OD1 D:ASP63 2.3 6.0 1.0 O D:GLU69 2.3 5.2 1.0 O D:HOH2061 2.4 7.2 1.0 OD1 D:ASP67 2.4 6.5 1.0 OE1 D:GLU74 2.4 6.7 1.0 OE2 D:GLU74 2.5 7.0 1.0 CD D:GLU74 2.8 5.3 1.0 HA D:ASP63 3.2 6.5 1.0 CG D:ASP67 3.3 7.3 1.0 H D:ASP67 3.4 8.1 1.0 H D:GLU69 3.4 7.2 1.0 CG D:ASN65 3.4 7.6 1.0 C D:GLU69 3.4 4.6 1.0 CG D:ASP63 3.4 5.2 1.0 H D:ASN65 3.5 9.1 1.0 OD2 D:ASP67 3.6 7.4 1.0 HA D:VAL70 3.6 5.4 1.0 HB2 D:GLU69 3.8 8.1 1.0 HD22 D:ASN65 3.8 13.0 1.0 H D:ASP71 3.9 6.4 1.0 CA D:ASP63 4.0 5.5 1.0 ND2 D:ASN65 4.0 10.9 1.0 N D:GLU69 4.1 6.0 1.0 CB D:ASP63 4.2 5.9 1.0 N D:ASP67 4.2 6.8 1.0 H D:ARG66 4.2 8.6 1.0 N D:ASN65 4.3 7.6 1.0 CA D:GLU69 4.3 5.1 1.0 C D:ASP63 4.3 6.0 1.0 N D:VAL70 4.3 5.2 1.0 HB2 D:ASP63 4.3 7.1 1.0 CG D:GLU74 4.3 4.9 1.0 OD2 D:ASP63 4.4 7.4 1.0 CA D:VAL70 4.4 4.5 1.0 OD2 D:ASP71 4.5 10.3 1.0 CB D:ASP67 4.5 6.8 1.0 N D:ARG66 4.5 7.1 1.0 H D:SER64 4.5 8.7 0.6 H D:SER64 4.5 8.7 0.5 N D:ASP71 4.5 5.3 1.0 CB D:ASN65 4.5 8.1 1.0 CB D:GLU69 4.5 6.8 1.0 H D:ASN68 4.6 6.2 1.0 N D:SER64 4.6 7.2 1.0 CA D:ASN65 4.7 7.2 1.0 HG3 D:GLU74 4.7 5.9 1.0 C D:ASN65 4.7 6.7 1.0 HB3 D:ASN65 4.7 9.7 1.0 CA D:ASP67 4.7 5.9 1.0 HB3 D:ASP67 4.7 8.1 1.0 HG2 D:GLU74 4.8 5.9 1.0 HB3 D:ASP71 4.8 7.5 1.0 CG D:ASP71 4.8 9.5 1.0 O D:ASP63 4.8 7.5 1.0 N D:ASN68 4.8 5.1 1.0 HD21 D:ASN65 4.9 13.0 1.0 HB2 D:GLU74 4.9 6.5 1.0 C D:VAL70 4.9 5.0 1.0 HB3 D:GLU69 4.9 8.1 1.0 C D:ASP67 4.9 5.3 1.0

A.Duelli, B.Kiss, I.Lundholm, A.Bodor, L.Radnai, M.Petoukhov, D.Svergun, L.Nyitray, G.Katona. The C-Terminal Random Coil Region Tunes the CA2+-Binding Affinity of S100A4 Through Conformational Activation. Plos One V. 9 97654 2014.
ISSN: ISSN 1932-6203
PubMed: 24830809
DOI: 10.1371/JOURNAL.PONE.0097654