MolNFT v1 · #136163 · protein

Crystal structure of the human vaccinia-related kinase 1 bound to an oxindole inhibitor

5UKF: “Crystal structure of the human vaccinia-related kinase 1 bound to an oxindole inhibitor”. X-ray diffraction, 3 ligands (8E1, PO4, CL). MolNFT v1 #136163 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5UKF
Type: protein
Length: 1,172 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q99986
Ligands: 8E1, PO4, CL

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	322	—	Q99986
B	—	protein	265	—	Q99986
C	—	protein	317	—	Q99986
D	—	protein	268	—	Q99986

Ligands and binding sites

8E1 · 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide · ligand · 4 copies · chains A, B, C, D
PO4 · Phosphate ion · ion · 7 copies · chains A, B, C
CL · Chloride ion · ion · 7 copies · chains A, B, C, D
PEG · Di(hydroxyethyl)ether · additive · chains D

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

Compared structures

5UKF · Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor · the same entry in another collection · chain D against D, TM-score 1.00
Q99986 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase VRK1 (Q99986) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q99986
Elsewhere: RCSB PDB 5UKF · PDBe 5UKF · UniProt Q99986

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