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MolNFT v1 · #176628 · protein

Structure of a human NHE1-CHP1 complex under pH 7.5

7DSW · SODIUM/HYDROGEN exchanger 1: “Structure of a human NHE1-CHP1 complex under pH 7.5”. Electron microscopy, 1 ligand (LBN), 12 pockets (best druggability 0.82). MolNFT v1 #176628 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7DSW
Type
protein
Length
840 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SODIUM/HYDROGEN exchanger 1
UniProt
P19634
Ligands
LBN
Pockets
12 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, ASODIUM/HYDROGEN exchanger 1protein42069% helix, 0% strandP19634

Ligands and binding sites

  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · ligand · 12 copies · chains B, A

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

Pockets

12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110530.820.8269LBN
24090.690.8140empty
34150.680.8037empty
41820.510.7623empty
51410.480.7724empty

Interfaces

1 interface between chains.

  • B–A · 3291 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 7DSW · Structure of a human NHE1-CHP1 complex under pH 7.5 · the same entry in another collection · chain B against B, TM-score 1.00
  • P19634 · AlphaFold monomer V2.0 prediction for SODIUM/HYDROGEN exchanger 1 (P19634) · a predicted model of the same protein · chain B against A, TM-score 0.96

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