MolNFT v1 · #9245 · protein

Alkaline phosphatase (H412Q)

1HQA: “Alkaline phosphatase (H412Q)”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.78). MolNFT v1 #9245 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1HQA
Type: protein
Length: 892 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alkaline phosphatase
EC: 3.1.3.1
UniProt: P00634
Ligands: ZN
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alkaline phosphatase (EC 3.1.3.1)	protein	446	31% helix, 21% strand	P00634

Ligands and binding sites

ZN · Zinc ion · metal · 6 copies · chains A, B

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

Pockets

5 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	95	0.78	0.99	26	empty
2	61	0.56	0.89	16	empty
3	59	0.51	0.87	14	empty
4	60	0.35	0.78	17	empty
5	97	0.31	0.72	21	ZN

Interfaces

1 interface between chains.

A–B · 3943 Å² buried · 66 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1HQA · Alkaline phosphatase (H412Q) · the same entry in another collection · chain A against A, TM-score 1.00
P00634 · AlphaFold monomer V2.0 prediction for alkaline phosphatase (P00634) · 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 P00634
Elsewhere: RCSB PDB 1HQA · PDBe 1HQA · UniProt P00634

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