MolNFT v1 · #75212 · protein

Synthetic dimer of human carbonic anhydrase II

3PJJ · Carbonic anhydrase 2: “Synthetic dimer of human carbonic anhydrase II”. X-ray diffraction, 2 ligands (MZH, ZN), 2 pockets (best druggability 0.54). MolNFT v1 #75212 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3PJJ
Type: protein
Length: 258 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbonic anhydrase 2
EC: 4.2.1.1
UniProt: P00918
Ligands: MZH, ZN
Pockets: 2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carbonic anhydrase 2 (EC 4.2.1.1)	protein	258	15% helix, 29% strand	P00918

Ligands and binding sites

MZH · 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione · ligand · chains A
ZN · Zinc ion · metal · 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	160	0.54	0.80	26	empty
2	59	0.27	0.73	15	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

3PJJ · Synthetic Dimer of Human Carbonic Anhydrase II · the same entry in another collection · chain A against A, TM-score 1.00
P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · 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 P00918
Elsewhere: RCSB PDB 3PJJ · PDBe 3PJJ · UniProt P00918

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