PDBsum entry 3mzc

Lyase/lyase inhibitor

PDB id

3mzc

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Contents

			Protein chain

					257 a.a.

			Ligands

					S6I


					GOL

			Metals

					_ZN

			Waters ×306

PDB id:

3mzc

Links

Name:

Lyase/lyase inhibitor

Title:

Human carbonic ahydrase ii in complex with a benzenesulfonamide inhibitor

Structure:

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

Source:

Homo sapiens. Organism_taxid: 9606. Gene: cah2_human. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.50Å

R-factor:

0.157

R-free:

0.187

Authors:

B.S.Avvaru,J.Wagner,A.H.Robbins,R.Mckenna

Key ref:

F.Pacchiano et al. (2010). Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem Commun (camb), 46, 8371-8373. PubMed id: 20922253

Date:

12-May-10

Release date:

09-Mar-11

PROCHECK

	Headers

	References

Protein chain

P00918 (CAH2_HUMAN) - Carbonic anhydrase 2 from Homo sapiens

Seq: Struc:					260 a.a. 257 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.4.2.1.1 - carbonic anhydrase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Reaction:

hydrogencarbonate + H⁺ = CO2 + H2O

hydrogencarbonate	+	H(+)	=	CO2	+	H2O

Cofactor:

Zn(2+)

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

Added reference

	Chem Commun (camb) 46:8371-8373 (2010)
PubMed id: 20922253

Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
F.Pacchiano, M.Aggarwal, B.S.Avvaru, A.H.Robbins, A.Scozzafava, R.McKenna, C.T.Supuran.

ABSTRACT

No abstract given.

Literature references that cite this PDB file's key reference

PubMed id

Reference

21515057

F.Carta, V.Garaj, A.Maresca, J.Wagner, B.S.Avvaru, A.H.Robbins, A.Scozzafava, R.McKenna, and C.T.Supuran (2011).
Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.

Bioorg Med Chem, 19, 3105-3119.

PDB codes:

3mmf 3mna

21549597

F.Mincione, F.Benedini, S.Biondi, A.Cecchi, C.Temperini, G.Formicola, I.Pacileo, A.Scozzafava, E.Masini, and C.T.Supuran (2011).
Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action.

Bioorg Med Chem Lett, 21, 3216-3221.

PDB code:

3ni5

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB codes are shown on the right.