SMTL ID : 1b09.1

HUMAN C-REACTIVE PROTEIN COMPLEXED WITH PHOSPHOCHOLINE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.50 Å

Oligo State

homo-pentamer

Ligands

10 x CA: CALCIUM ION(Non-covalent)

CA.1: 5 residues within 4Å: Chain A: E.138, D.140, E.147, Q.150 Ligands: PC.11 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.138, A:D.140, A:D.140, A:E.147 CA.2: 6 residues within 4Å: Chain A: D.60, N.61, E.138, Q.139, D.140 Ligands: PC.11 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:E.138, A:Q.139, A:D.140 CA.3: 6 residues within 4Å: Chain B: E.138, D.140, E.147, Q.150 Ligands: CA.4, PC.12 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:E.138, B:D.140, B:D.140, B:E.147 CA.4: 7 residues within 4Å: Chain B: D.60, N.61, E.138, Q.139, D.140 Ligands: CA.3, PC.12 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:D.60, B:E.138, B:Q.139 CA.5: 5 residues within 4Å: Chain C: E.138, D.140, E.147, Q.150 Ligands: PC.13 4 PLIP interactions: 4 interactions with chain C Metal complexes: C:E.138, C:D.140, C:D.140, C:E.147 CA.6: 6 residues within 4Å: Chain C: D.60, N.61, E.138, Q.139, D.140 Ligands: PC.13 3 PLIP interactions: 3 interactions with chain C Metal complexes: C:D.60, C:E.138, C:Q.139 CA.7: 6 residues within 4Å: Chain D: E.138, D.140, E.147, Q.150 Ligands: CA.8, PC.14 4 PLIP interactions: 4 interactions with chain D Metal complexes: D:E.138, D:D.140, D:D.140, D:E.147 CA.8: 7 residues within 4Å: Chain D: D.60, N.61, E.138, Q.139, D.140 Ligands: CA.7, PC.14 5 PLIP interactions: 5 interactions with chain D Metal complexes: D:D.60, D:E.138, D:E.138, D:Q.139, D:D.140 CA.9: 6 residues within 4Å: Chain E: E.138, D.140, E.147, Q.150 Ligands: CA.10, PC.15 4 PLIP interactions: 4 interactions with chain E Metal complexes: E:E.138, E:D.140, E:D.140, E:E.147 CA.10: 7 residues within 4Å: Chain E: D.60, N.61, E.138, Q.139, D.140 Ligands: CA.9, PC.15 5 PLIP interactions: 5 interactions with chain E Metal complexes: E:D.60, E:E.138, E:E.138, E:Q.139, E:D.140

5 x PC: PHOSPHOCHOLINE(Non-covalent)

PC.11: 11 residues within 4Å: Chain A: N.61, F.66, S.74, E.81, E.138, Q.139, D.140, E.147, Q.150 Ligands: CA.1, CA.2 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.61, A:Q.150 Salt bridges: A:E.81 pi-Cation interactions: A:F.66 PC.12: 10 residues within 4Å: Chain B: N.61, F.66, E.81, E.138, Q.139, D.140, E.147, Q.150 Ligands: CA.3, CA.4 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:N.61, B:E.147, B:Q.150 Salt bridges: B:E.81 pi-Cation interactions: B:F.66 PC.13: 9 residues within 4Å: Chain C: N.61, E.81, E.138, Q.139, D.140, E.147, Q.150 Ligands: CA.5, CA.6 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.61, C:Q.150 Salt bridges: C:E.81 PC.14: 8 residues within 4Å: Chain D: N.61, S.74, E.81, E.138, D.140, Q.150 Ligands: CA.7, CA.8 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:N.61, D:Q.150 Salt bridges: D:E.81 pi-Cation interactions: D:F.66 PC.15: 10 residues within 4Å: Chain E: D.60, N.61, F.66, S.74, E.81, E.138, D.140, Q.150 Ligands: CA.9, CA.10 4 PLIP interactions: 4 interactions with chain E Hydrogen bonds: E:N.61, E:Q.150 Salt bridges: E:E.81 pi-Cation interactions: E:F.66

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Thompson, D. et al., The physiological structure of human C-reactive protein and its complex with phosphocholine. Structure Fold.Des. (1999)

Release Date

1999-12-03

Peptides

PROTEIN (C-REACTIVE PROTEIN): ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

PROTEIN (C-REACTIVE PROTEIN)

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