MolNFT v1 · #185211 · protein

C-reactive protein pentamer at pH 5

7PKG: “C-reactive protein pentamer at pH 5”. Electron microscopy, 1 ligand (CA), 15 pockets (best druggability 0.57). MolNFT v1 #185211 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7PKG
Type: protein
Length: 1,030 residues
Chains: 5
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C-reactive protein
UniProt: P02741
Ligands: CA
Pockets: 15 · best druggability 0.57

Structure

electron microscopy · 1 distinct chain · 8% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E, D, C, B, A	C-reactive protein	protein	206	8% helix, 48% strand	P02741

Ligands and binding sites

CA · Calcium ion · metal · 10 copies · chains E, D, C, B, A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	301	0.57	0.77	50	empty
2	225	0.52	0.76	38	empty
3	207	0.50	0.76	43	empty
4	173	0.48	0.76	31	empty
5	112	0.46	0.79	21	empty

Interfaces

5 interfaces between chains.

E–A · 714 Å² buried · 7 hydrogen bonds · protein-protein
C–B · 701 Å² buried · 9 hydrogen bonds · protein-protein
E–D · 700 Å² buried · 8 hydrogen bonds · protein-protein
B–A · 699 Å² buried · 7 hydrogen bonds · protein-protein
D–C · 684 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

7PKG · C-reactive protein pentamer at pH 5 · the same entry in another collection · chain A against A, TM-score 1.00
P02741 · AlphaFold monomer V2.0 prediction for C-reactive protein (P02741) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P02741
Elsewhere: RCSB PDB 7PKG · PDBe 7PKG · UniProt P02741

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