MolNFT v1 · #141743 · protein

Crystal structure of scylla paramamosain arginine kinase

5ZHQ: “Crystal structure of scylla paramamosain arginine kinase”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.74). MolNFT v1 #141743 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5ZHQ
Type: protein
Length: 710 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arginine kinase
UniProt: H6UKS0
Ligands: SO4
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Arginine kinase	protein	355	40% helix, 17% strand	H6UKS0

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A, B

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	82	0.74	0.97	21	empty
2	747	0.67	0.75	80	SO4
3	591	0.65	0.76	64	SO4
4	177	0.45	0.75	28	empty
5	67	0.36	0.78	17	SO4

Interfaces

1 interface between chains.

A–B · 1504 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

5ZHQ · Crystal structure of Scylla paramamosain arginine kinase · the same entry in another collection · chain A 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 H6UKS0
Elsewhere: RCSB PDB 5ZHQ · PDBe 5ZHQ · UniProt H6UKS0

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