MolNFT v1 · #171090 · protein

Mtb tmk crystal structure in complex with compound 26

6YT1: “Mtb tmk crystal structure in complex with compound 26”. X-ray diffraction, 1 ligand (PK5). MolNFT v1 #171090 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6YT1
Type: protein
Length: 384 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P9WKE1
Ligands: PK5

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	191	—	P9WKE1
B	—	protein	193	—	P9WKE1

Ligands and binding sites

PK5 · 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene) pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5, 6,7,8,8~{A}-octahydroimidazo[1,2-a]pyridine-3-carboxamide · ligand · 2 copies · chains A, B
CIT · Citric acid · additive · 3 copies · chains A, B

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

Compared structures

6YT1 · Mtb TMK crystal structure in complex with compound 26 · the same entry in another collection · chain A against A, TM-score 1.00
P9WKE1 · AlphaFold monomer V2.0 prediction for thymidylate kinase (P9WKE1) · a predicted model of the same protein · chain A 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 P9WKE1
Elsewhere: RCSB PDB 6YT1 · PDBe 6YT1 · UniProt P9WKE1

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