MolNFT v1 · #135097 · protein

Crystal structure of alkaline phosphatase pafa T79S, N100A, K162A, R164A mutant

5TOO: “Crystal structure of alkaline phosphatase pafa T79S, N100A, K162A, R164A mutant”. X-ray diffraction, 2 ligands (ZN, CL), 2 pockets (best druggability 0.44). MolNFT v1 #135097 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5TOO
Type: protein
Length: 517 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alkaline phosphatase pafa
EC: 3.1.3.1
UniProt: Q9KJX5
Ligands: ZN, CL
Pockets: 2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alkaline phosphatase pafa (EC 3.1.3.1)	protein	517	37% helix, 18% strand	Q9KJX5

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A
CL · Chloride ion · ion · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	130	0.44	0.77	28	CL
2	131	0.41	0.75	23	empty

Compared structures

5TOO · Crystal structure of alkaline phosphatase PafA T79S, N100A, K162A, R164A mutant · the same entry in another collection · chain A against A, TM-score 1.00
Q9KJX5 · AlphaFold monomer V2.0 prediction for alkaline phosphatase pafa (Q9KJX5) · a predicted model of the same protein · 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 Q9KJX5
Elsewhere: RCSB PDB 5TOO · PDBe 5TOO · UniProt Q9KJX5

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