MolNFT v1 · #148789 · protein

Protein arginine kinase mcsb in the apo state

6FH1 · Protein-arginine kinase: “Protein arginine kinase mcsb in the apo state”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #148789 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6FH1
Type: protein
Length: 695 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein-arginine kinase
EC: 2.7.14.1
UniProt: P0DMM5
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein-arginine kinase (EC 2.7.14.1)	protein	353	51% helix, 17% strand	P0DMM5
B	Protein-arginine kinase (EC 2.7.14.1)	protein	342	50% helix, 17% strand	P0DMM5

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 17 copies · chains A, B
IMD · Imidazole · additive · 4 copies · chains A, B
FMT · Formic acid · additive · 2 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.76	0.96	27	EDO, IMD
2	514	0.73	0.82	73	FMT, EDO
3	267	0.55	0.77	33	empty
4	243	0.48	0.74	29	empty
5	58	0.41	0.81	15	EDO

Interfaces

1 interface between chains.

A–B · 767 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

6FH1 · Protein arginine kinase McsB in the apo state · the same entry in another collection · chain A against A, TM-score 1.00
P0DMM5 · AlphaFold monomer V2.0 prediction for protein-arginine kinase (P0DMM5) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 P0DMM5
Elsewhere: RCSB PDB 6FH1 · PDBe 6FH1 · UniProt P0DMM5

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