MolNFT v1 · #151083 · protein

Active-site conformational dynamics of carbonic anhydrase II under native conditions: an NMR perspective

6HD2 · Carbonic anhydrase 2: “Active-site conformational dynamics of carbonic anhydrase II under native conditions: an NMR perspective”. Solution nmr, 1 ligand (ZN), 6 pockets (best druggability 0.67). MolNFT v1 #151083 on GenesisL1: 3D…

PDB: 6HD2
Type: protein
Length: 260 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbonic anhydrase 2
EC: 4.2.1.1
UniProt: P00918
Ligands: ZN
Pockets: 6 · best druggability 0.67

Structure

solution nmr · 1 distinct chain · 16% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carbonic anhydrase 2 (EC 4.2.1.1)	protein	260	16% helix, 31% strand	P00918

Ligands and binding sites

ZN · Zinc ion · metal · chains A

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

Pockets

6 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	100	0.67	0.90	25	empty
2	303	0.61	0.78	33	empty
3	107	0.55	0.84	18	empty
4	110	0.46	0.79	24	empty
5	110	0.41	0.77	18	empty

Compared structures

6HD2 · Active-site conformational dynamics of carbonic anhydrase II under native conditions: An… · 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 0.89

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 6HD2 · PDBe 6HD2 · UniProt P00918

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