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MolNFT v1 · #154815 · protein

Structure of human cardiac thin filament in the calcium bound state

6KN8 · Actin, alpha skeletal muscle: “Structure of human cardiac thin filament in the calcium bound state”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.85). MolNFT v1 #154815 on GenesisL1: 3D structure, binding…

PDB
6KN8
Type
protein
Length
7,669 residues
Chains
29
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Tropomyosin alpha-1 chain; Troponin T, cardiac muscle…
UniProt
P68135, P09493, P45379, P19429, P63316
Ligands
ADP
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 6 distinct chains · 68% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, OActin, alpha skeletal muscleprotein37541% helix, 18% strandP68135
P, Q, W, XTropomyosin alpha-1 chainprotein27498% helix, 0% strandP09493
R, S, Y, ZTropomyosin alpha-1 chainprotein3184% helix, 0% strandP09493
T, aTroponin T, cardiac muscleprotein12687% helix, 0% strandP45379
U, bTroponin I, cardiac muscleprotein12675% helix, 0% strandP19429
V, cTroponin C, slow skeletal and cardiac musclesprotein16056% helix, 3% strandP63316

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 15 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19400.850.87104ADP
211010.850.86134ADP
310710.850.86114ADP
411510.840.85115ADP
510980.820.8392empty

Interfaces

89 interfaces between chains.

  • W–X · 6904 Ų buried · 42 hydrogen bonds · protein-protein
  • P–Q · 6898 Ų buried · 42 hydrogen bonds · protein-protein
  • T–U · 2467 Ų buried · 19 hydrogen bonds · protein-protein
  • a–b · 2467 Ų buried · 19 hydrogen bonds · protein-protein
  • b–c · 2333 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 6KN8 · Structure of human cardiac thin filament in the calcium bound state · the same entry in another collection · chain H against H, TM-score 1.00

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