MolNFT v1 · #173249 · protein

The LIMK1 kinase domain bound to LIJTF500025

7ATU: “The LIMK1 kinase domain bound to LIJTF500025”. X-ray diffraction, 1 ligand (RXN). MolNFT v1 #173249 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7ATU
Type: protein
Length: 1,050 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P53667
Ligands: RXN

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	276	—	P53667
B	—	protein	287	—	P53667
C	—	protein	244	—	P53667
D	—	protein	243	—	P53667

Ligands and binding sites

RXN · (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide · ligand · 4 copies · chains A, B, C, D

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

Compared structures

7ATU · The LIMK1 Kinase Domain Bound To LIJTF500025 · the same entry in another collection · chain D against D, TM-score 1.00
P53667 · AlphaFold monomer V2.0 prediction for lim domain kinase 1 (P53667) · a predicted model of the same protein · chain D against A, TM-score 0.94

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 P53667
Elsewhere: RCSB PDB 7ATU · PDBe 7ATU · UniProt P53667

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