PDBsum entry 3gd7

Hydrolase

PDB id: 3gd7

Contents

Protein chain

378 a.a. *

Ligands

B44 ×4

Waters ×254

* Residue conservation analysis

PDB id:

3gd7

Name:

Hydrolase

Title:

Crystal structure of human nbd2 complexed with n6-phenylethyl-atp (p- atp)

Structure:

Fusion complex of cystic fibrosis transmembrane conductance regulator, residues 1193-1427 and maltose/maltodextrin import atp- binding protein malk, residues 219-371. Chain: a, b, c, d. Synonym: cftr, camp-dependent chloride channel, atp-binding cassette transporter sub-family c member 7. Engineered: yes. Mutation: yes

Source:

Homo sapiens, escherichia coli k-12. Human,bacteria. Organism_taxid: 9606, 83333. Gene: cftr,malk. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.70Å R-factor: 0.247 R-free: 0.308

Authors:

S.Atwell,S.Antonysamy,K.Conners,S.Emtage,T.Gheyi,H.A.Lewis,F.Lu, J.M.Sauder,S.R.Wasserman,X.Zhao

Key ref:

S.Atwell et al. Crystal structure of human nbd2 complexed with n6-Phenylethyl-Atp (p-Atp). To be published, .

Date:

23-Feb-09 Release date: 02-Mar-10

Protein chains

P13569  (CFTR_HUMAN) -  Cystic fibrosis transmembrane conductance regulator from Homo sapiens

Seq: 1480 a.a.

Struc: 378 a.a.*

Protein chains

P68187  (MALK_ECOLI) -  Maltose/maltodextrin import ATP-binding protein MalK from Escherichia coli (strain K12)

Seq: 371 a.a.

Struc: 378 a.a.*

* PDB and UniProt seqs differ at 228 residue positions (black crosses)

Enzyme reactions

• Enzyme class 1: E.C.5.6.1.6 - channel-conductance-controlling ATPase.
• Reaction: ATP + H2O + closed Cl^- channel = ADP + phosphate + open Cl^- channel

ATP (Bound ligand (Het Group name = B44) matches with 79.49% similarity) + H2O + closed Cl(-) channel = ADP + phosphate + open Cl(-) channel

• Enzyme class 2: E.C.7.5.2.1 - ABC-type maltose transporter.
• Reaction: D-maltose(out) + ATP + H2O = D-maltose(in) + ADP + phosphate + H⁺

D-maltose(out) (Bound ligand (Het Group name = B44) matches with 79.49% similarity) + ATP + H2O = D-maltose(in) + ADP + phosphate + H(+)

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