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Crystal structure of the 52KDA domain of human cardiac troponin in the CA2+ saturated form

Analyse Crystal structure of the 52KDA domain of human cardiac troponin in the CA2+… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1J1E
Type: protein
Length: 720 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Troponin C; Troponin T; Troponin I
UniProt: P63316, P45379, P19429
Ligands: CA
Pockets: 10 · best druggability 0.61

Structure

x-ray diffraction · 6 distinct chains · 74% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Troponin C	protein	158	58% helix, 5% strand	P63316
B	Troponin T	protein	69	91% helix, 0% strand	P45379
C	Troponin I	protein	118	81% helix, 0% strand	P19429
D	Troponin C	protein	159	58% helix, 4% strand	P63316
E	Troponin T	protein	75	89% helix, 0% strand	P45379
F	Troponin I	protein	141	86% helix, 0% strand	P19429

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains A, D

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

Pockets

10 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	360	0.61	0.77	30	empty
2	280	0.55	0.76	39	empty
3	56	0.49	0.86	17	empty
4	100	0.46	0.80	20	empty
5	188	0.43	0.73	22	empty

Interfaces

7 interfaces between chains.

A–C · 2246 Å² buried · 28 hydrogen bonds · protein-protein
E–F · 2182 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 2063 Å² buried · 17 hydrogen bonds · protein-protein
D–F · 1958 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 471 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

1J1E · Crystal structure of the 52kDa domain of human cardiac troponin in the Ca2+ saturated form · the same entry in another collection · chain F against F, TM-score 1.00
P19429 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P19429) · a predicted model of the same protein · chain C against A, TM-score 0.83
P45379 · AlphaFold monomer V2.0 prediction for troponin T, cardiac muscle (P45379) · a predicted model of the same protein · chain E against A, TM-score 0.74
P63316 · AlphaFold monomer V2.0 prediction for troponin C, slow skeletal and cardiac muscles… · a predicted model of the same protein · chain A against A, TM-score 0.52

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 P63316
Every structure of UniProt P45379
Every structure of UniProt P19429
Elsewhere: RCSB PDB 1J1E · PDBe 1J1E · UniProt P63316 · UniProt P45379 · UniProt P19429

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