MolNFT v1 · #12211 · protein

The papase HAL2P complexed with zinc ions

1K9Z · Halotolerance protein HAL2: “The papase HAL2P complexed with zinc ions”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.70). MolNFT v1 #12211 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K9Z
Type: protein
Length: 354 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Halotolerance protein HAL2
EC: 3.1.3.7
UniProt: P32179
Ligands: ZN
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Halotolerance protein HAL2 (EC 3.1.3.7)	protein	354	40% helix, 21% strand	P32179

Ligands and binding sites

ZN · Zinc ion · metal · 9 copies · chains A
BME · Beta-mercaptoethanol · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.70	0.86	40	ZN
2	54	0.28	0.75	14	empty

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

1K9Z · The PAPase Hal2p complexed with zinc ions · the same entry in another collection · chain A against A, TM-score 1.00
P32179 · AlphaFold monomer V2.0 prediction for 3'(2'),5'-bisphosphate nucleotidase (P32179) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P32179
Elsewhere: RCSB PDB 1K9Z · PDBe 1K9Z · UniProt P32179

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