PDBsum entry 4e3d

Lyase/lyase inhibitor

PDB id: 4e3d

Contents

Protein chain

257 a.a.

Ligands

MBO

GTQ ×2

GOL

Metals

_ZN

Waters ×178

PDB id:

4e3d

Name:

Lyase/lyase inhibitor

Title:

Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors

Structure:

Carbonic anhydrase 2. Chain: a. Synonym: carbonate dehydratase ii, carbonic anhydrasE C, cac, carbonic anhydrase ii, ca-ii. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.60Å R-factor: 0.171 R-free: 0.211

Authors:

S.M.Cohen

Key ref:

D.P.Martin and S.M.Cohen (2012). Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors. Chem Commun (camb), 48, 5259-5261. PubMed id: 22531842

Date:

09-Mar-12 Release date: 27-Jun-12

Protein chain

P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2 from Homo sapiens

Seq: 260 a.a.

Struc: 257 a.a.

Enzyme reactions

• Enzyme class 2: E.C.4.2.1.1 - carbonic anhydrase.
• Reaction: hydrogencarbonate + H⁺ = CO2 + H2O
• Cofactor: Zn(2+)
• Enzyme class 3: E.C.4.2.1.69 - cyanamide hydratase.
• Reaction: urea = cyanamide + H2O

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Chem Commun (camb) 48:5259-5261 (2012)

PubMed id: 22531842

Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors.

D.P.Martin, S.M.Cohen.

ABSTRACT

No abstract given.