MolNFT v1 · #154228 · protein

Siaa-PP2C domain of pseudomonas aeruginosa

6K4E · Putative serine phosphatase: “Siaa-PP2C domain of pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.50). MolNFT v1 #154228 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6K4E
Type: protein
Length: 491 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative serine phosphatase
UniProt: A0A4U9RCZ4
Ligands: MG
Pockets: 7 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative serine phosphatase	protein	245	40% helix, 29% strand	A0A4U9RCZ4
B	Putative serine phosphatase	protein	246	40% helix, 28% strand	A0A4U9RCZ4

Ligands and binding sites

MG · Magnesium ion · metal · 6 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	109	0.50	0.81	21	empty
2	101	0.37	0.75	17	empty
3	63	0.36	0.78	16	empty
4	61	0.36	0.78	16	empty
5	59	0.36	0.78	19	empty

Interfaces

1 interface between chains.

A–B · 1463 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6K4E · SiaA-PP2C domain of Pseudomonas aeruginosa · 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 A0A4U9RCZ4
Elsewhere: RCSB PDB 6K4E · PDBe 6K4E · UniProt A0A4U9RCZ4

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