MolNFT v1 · #20503 · protein

Cyclic peptides targeting PDZ domains of psd-95: structural basis for enhanced affinity and enzymatic stability

1RGR · Presynaptic density protein 95: “Cyclic peptides targeting PDZ domains of psd-95: structural basis for enhanced affinity and enzymatic…”. Solution nmr, 1 ligand (BAL). MolNFT v1 #20503 on GenesisL1: 3D structure, binding sites and…

PDB: 1RGR
Type: protein
Length: 99 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Presynaptic density protein 95; Postsynaptic protein cript peptide
UniProt: P31016
Ligands: BAL

Structure

solution nmr · 2 distinct chains · 15% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Presynaptic density protein 95	protein	93	16% helix, 30% strand	P31016
B	Postsynaptic protein cript peptide	protein	6	0% helix, 33% strand	—

Ligands and binding sites

BAL · Beta-alanine · ligand · chains A, B

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

Interfaces

1 interface between chains.

A–B · 489 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

1RGR · Cyclic Peptides Targeting PDZ Domains of PSD-95: Structural Basis for Enhanced Affinity… · the same entry in another collection · chain A against A, TM-score 1.00
P31016 · AlphaFold monomer V2.0 prediction for disks large homolog 4 (P31016) · a predicted model of the same protein · chain A against A, TM-score 0.82

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 P31016
Elsewhere: RCSB PDB 1RGR · PDBe 1RGR · UniProt P31016

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