GL1X · GenesisL1 explorer

MolNFT v1 · #104175 · protein

NHERF3 PDZ2 in complex with a phage-derived peptide

4Q2P · NA(+)/H(+) exchange regulatory cofactor nhe-RF3: “NHERF3 PDZ2 in complex with a phage-derived peptide”. X-ray diffraction. MolNFT v1 #104175 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4Q2P
Type
protein
Length
265 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NA(+)/H(+) exchange regulatory cofactor nhe-RF3
UniProt
Q5T2W1

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANA(+)/H(+) exchange regulatory cofactor nhe-RF3protein9819% helix, 34% strandQ5T2W1
BNA(+)/H(+) exchange regulatory cofactor nhe-RF3protein8717% helix, 38% strandQ5T2W1
CNA(+)/H(+) exchange regulatory cofactor nhe-RF3protein8020% helix, 38% strandQ5T2W1

Ligands and binding sites

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
  • EDO · 1,2-ethanediol · additive · chains B

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

Interfaces

3 interfaces between chains.

  • A–B · 537 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 473 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 443 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4Q2P · NHERF3 PDZ2 in Complex with a Phage-Derived Peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5T2W1 · AlphaFold monomer V2.0 prediction for NA(+)/H(+) exchange regulatory cofactor nhe-RF3… · a predicted model of the same protein · chain A against A, TM-score 0.91

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