Structure of PDB 7m3k Chain A Binding Site BS01

Receptor Information
>7m3k Chain A (length=587) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLRSRAWFDNPDDVDMTALYLERYMNYGLSQEELQSGRPIIGIAQTGSDL
SPCNRHHLELAKRVRDGVREAGGIVIEFPVHPIQETGKRPTAGLDRNLAY
LGLVEVLYGYPLDGVVLTIGCDKTTPACLMAAATVNIPAIALSVGPMLNG
WFRGERTGSGTIVWKARELLAKGEIDYQGFVKLVASSAPSTGYCNTMGTA
TTMNSLAEALGMQLPGSAAIPAPYRDRQEVAYLMGRRIVEMVHEDLKPSD
ILTKEAFINAIRVNSAIGGSTNAPIHLNALARHIGVELTVDDWQKYGEEI
PLLVNLQPAGEYLGEDYYHAGGVPAVVNQLMGQGLIHEDAITVNGKTIGE
NCKNATIEDGNVIKTYDQPLKKHAGFRVLRGNLFSSAIMKLSVISDEFRN
RYLSDAKDPNAFEGKAVVFDGPEDYHHRIDDPALEIDEHTVLFMRGAGPI
GYPGAAEVVNMRAPDYLLKKGITSLPCIGDGRQSGTSGSPSILNASPEAA
AGGGLAILKTGDRVRIDLGRGTADILISDEELAERRKALEAVGGYKYPES
QTPWQEIQRAVIGQMETGAVLENAVKYQDIAHTRGLP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7m3k Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7m3k Crystal Structure of Galactonate dehydratase from Brucella melitensis biovar Abortus 2308
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C63 C131
Binding residue
(residue number reindexed from 1)		C53 C121
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.6: galactonate dehydratase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008869 galactonate dehydratase activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0019752 carboxylic acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7m3k, PDBe:7m3k, PDBj:7m3k
PDBsum7m3k
PubMed
UniProtQ2YJ21

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