MolNFT v1 · #12202 · protein

YAP65 ww domain complexed to N-(N-octyl)-gpppy-NH2

1K9Q · 65 kda yes-associated protein: “YAP65 ww domain complexed to N-(N-octyl)-gpppy-NH2”. Solution nmr, 1 ligand (NH2). MolNFT v1 #12202 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K9Q
Type: protein
Length: 45 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 65 kda yes-associated protein; Ww domain binding protein-1
UniProt: P46937
Ligands: NH2

Structure

solution nmr · 2 distinct chains · 0% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	65 kda yes-associated protein	protein	40	0% helix, 33% strand	P46937
B	Ww domain binding protein-1	protein	5	0% helix, 0% strand	—

Ligands and binding sites

NH2 · Amino group · ion · chains B
OCT · N-octane · additive · chains B

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

Interfaces

1 interface between chains.

A–B · 293 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

1K9Q · YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2 · the same entry in another collection · chain A against A, TM-score 1.00
P46937 · AlphaFold monomer V2.0 prediction for transcriptional coactivator YAP1 (P46937) · a predicted model of the same protein · chain A against A, TM-score 0.62

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 P46937
Elsewhere: RCSB PDB 1K9Q · PDBe 1K9Q · UniProt P46937

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